Sample records for f2-layer electron density

  1. Post-midnight enhancements in low latitude F layer electron density: observations and simulations

    NASA Astrophysics Data System (ADS)

    Liu, Libo; Le, Huijun; Chen, Yiding; Zhang, Yanyan; Wan, Weixing; Ning, Baiqi

    2014-05-01

    Observations from a Lowell DPS-4D ionosonde operated at Sanya (18.3º N, 109.6º E), a low latitude station in China, have been analysed to study the nighttime behavior of ionospheric F layer. Post-midnight enhancement events are frequently occurred in the year of 2012. Common features in these cases illustrate that, accompanying nighttime rises in peak electron density of F2-layer (NmF2), the height of F2-layer goes downward significantly and the ionogram-derived electron density height profiles become sharpener. Enhancement in electron density develops earlier and reaches peaks earlier at higher altitudes than at lower altitudes. Downward plasma drift detected under such events reveals the essential role of the westward electric field in forming the post-midnight enhancements in electron density of ionospheric F-layer at such low latitudes. The important role of westward electric field in formation of nighttime enhancement is supported by the simulated results from a model. Work has been published in Liu et al., A case study of post-midnight enhancement in F-layer electron density over Sanya of China, J. Geophys. Res. Space Physics, 2013, 118, 4640-4648, DOI:10.1002/jgra.50422. Acknowledgements: Ionosonde data are provided from BNOSE of IGGCAS. This research was supported by the projects of Chinese Academy of Sciences (KZZD-EW-01-3), National Key Basic Research Program of China (2012CB825604), and National Natural Science Foundation of China (41231065).

  2. Thailand low and equatorial F 2-layer peak electron density and comparison with IRI-2007 model

    NASA Astrophysics Data System (ADS)

    Wichaipanich, N.; Supnithi, P.; Tsugawa, T.; Maruyama, T.

    2012-06-01

    Ionosonde measurements obtained at two Thailand ionospheric stations, namely Chumphon (10.72°N, 99.37°E, dip 3.0°N) and Chiang Mai (18.76°N, 98.93°E, dip 12.7°N) are used to examine the variation of the F 2-layer peak electron density ( N m F 2) which is derived from the F 2-layer critical frequency, f o f 2. Measured data from September 2004 to August 2005 (a period of low solar activity) are analyzed based on the diurnal and seasonal variation and then compared with IRI-2007 model predictions. Our results show that, in general, the diurnal and seasonal variations of the N m F 2 predicted by the IRI (URSI and CCIR options) model show a feature generally similar to the observed N m F 2. Underestimation mostly occurs in all seasons except during the September equinox and the December solstice at Chumphon, and the September equinox and the March equinox at Chiang Mai, when they overestimate those measured. The best agreement between observation and prediction occurs during the pre-sunrise to post-sunrise hours. The best agreement of the %PD values of both the options occurs during the March equinox, while the agreement is the worst during the September equinox. The N m F 2 values predicted by the CCIR option show a smaller range of deviation than the N m F 2 values predicted by the URSI option. During post-sunset to morning hours (around 21:00-09:00 LT), the observed N m F 2 at both stations are almost identical for the periods of low solar activity. However, during daytime, the observed N m F 2 at Chumphon is lower than that at Chiang Mai. The difference between these two stations can be explained by the equatorial ionospheric anomaly (EIA). These results are important for future improvements of the IRI model for N m F 2 over Southeast Asia, especially for the areas covered by Chumphon and Chiang Mai stations.

  3. Opposite Latitudinal Dependence of the Premidnight and Postmidnight Oscillations in the Electron Density of Midlatitude F Layer

    NASA Astrophysics Data System (ADS)

    Chen, Gang; Wang, Jin; Zhang, Shaodong; Deng, Zhongxin; Zhong, Dingkun; Wu, Chen; Jin, Han; Li, Yaxian

    2018-01-01

    The dense observation points of the oblique-incidence ionosonde network in North China make it possible to discover the ionospheric regional variations with relatively high spatial resolution. The ionosonde network and the Beijing digisonde are used to investigate the ionospheric nighttime oscillations in January and February 2011. The electron density enhancements occurring before and after midnight present the obvious opposite latitudinal dependence in the time-latitude maps, which are composed by the differential critical frequency of F2 layer. The premidnight enhancements (PRMEs) appeared earlier in the north and then moved to south. The postmidnight enhancements (POMEs) did the opposite. The data analysis shows that the PRME was a part of the large-scale traveling ionospheric disturbance (LSTID), which may be produced by gravity waves. The southward propagation of the LSTIDs is considered to form the positive latitudinal dependence of the wave peaks and troughs. The postmidnight F layer oscillation was composed by a single enhancement and a single decline following it. The westward electric field-induced E × B drift, which pushed the F layer to lower altitudes with higher recombination loss, was most likely to compress the plasma and produce the POMEs. Along with the continuously dropping of the layer, the recombination loss exceeded the density increase due to the compression effect and then the electron density decline appeared.

  4. Spectroscopic and theoretical investigation of the electronic states of layered perovskite oxyfluoride S r2Ru O3F2 thin films

    NASA Astrophysics Data System (ADS)

    Chikamatsu, Akira; Kurauchi, Yuji; Kawahara, Keisuke; Onozuka, Tomoya; Minohara, Makoto; Kumigashira, Hiroshi; Ikenaga, Eiji; Hasegawa, Tetsuya

    2018-06-01

    We investigated the electronic structure of a layered perovskite oxyfluoride S r2Ru O3F2 thin film by hard x-ray photoemission spectroscopy (HAXPES) and soft x-ray absorption spectroscopy (XAS) as well as density functional theory (DFT)-based calculations. The core-level HAXPES spectra suggested that S r2Ru O3F2 is a Mott insulator. The DFT calculations described the total and site-projected density of states and the band dispersion for the optimized crystal structure of S r2Ru O3F2 , predicting that R u4 + takes a high-spin configuration of (xy ) ↑(yz ,z x ) ↑↑(3z2-r2 ) ↑ and that S r2Ru O3F2 has an indirect band gap of 0.7 eV with minima at the M ,A and X ,R points. HAXPES spectra near the Fermi level and the angular-dependent O 1 s XAS spectra of the S r2Ru O3F2 thin film, corresponding to the valence band and conduction band density of states, respectively, were drastically different compared to those of the S r2Ru O4 film, suggesting that the changes in the electronic states were mainly driven by the substitution of an oxygen atom coordinated to Ru by fluorine and subsequent modification of the crystal field.

  5. Annual and semiannual variations in the ionospheric F2-layer: II. Physical discussion

    NASA Astrophysics Data System (ADS)

    Rishbeth, H.; Müller-Wodarg, I. C. F.; Zou, L.; Fuller-Rowell, T. J.; Millward, G. H.; Moffett, R. J.; Idenden, D. W.; Aylward, A. D.

    2000-08-01

    The companion paper by Zou et al. shows that the annual and semiannual variations in the peak F2-layer electron density (NmF2) at midlatitudes can be reproduced by a coupled thermosphere-ionosphere computational model (CTIP), without recourse to external influences such as the solar wind, or waves and tides originating in the lower atmosphere. The present work discusses the physics in greater detail. It shows that noon NmF2 is closely related to the ambient atomic/molecular concentration ratio, and suggests that the variations of NmF2 with geographic and magnetic longitude are largely due to the geometry of the auroral ovals. It also concludes that electric fields play no important part in the dynamics of the midlatitude thermosphere. Our modelling leads to the following picture of the global three-dimensional thermospheric circulation which, as envisaged by Duncan, is the key to explaining the F2-layer variations. At solstice, the almost continuous solar input at high summer latitudes drives a prevailing summer-to-winter wind, with upwelling at low latitudes and throughout most of the summer hemisphere, and a zone of downwelling in the winter hemisphere, just equatorward of the auroral oval. These motions affect thermospheric composition more than do the alternating day/night (up-and-down) motions at equinox. As a result, the thermosphere as a whole is more molecular at solstice than at equinox. Taken in conjunction with the well-known relation of F2-layer electron density to the atomic/molecular ratio in the neutral air, this explains the F2-layer semiannual effect in NmF2 that prevails at low and middle latitudes. At higher midlatitudes, the seasonal behaviour depends on the geographic latitude of the winter downwelling zone, though the effect of the composition changes is modified by the large solar zenith angle at midwinter. The zenith angle effect is especially important in longitudes far from the magnetic poles. Here, the downwelling occurs at high

  6. The Relationship between Ionospheric Slab Thickness and the Peak Density Height, hmF2

    NASA Astrophysics Data System (ADS)

    Meehan, J.; Sojka, J. J.

    2017-12-01

    The electron density profile is one of the most critical elements in the ionospheric modeling-related applications today. Ionosphere parameters, hmF2, the height of the peak density layer, and slab thickness, the ratio of the total electron content, TEC, to the peak density value, NmF2, are generally obtained from any global sounding observation network and are easily incorporated into models, theoretical or empirical, as numerical representations. Slab thickness is a convenient one-parameter summary of the electron density profile and can relate a variety of elements of interest that effect the overall electron profile shape, such as the neutral and ionospheric temperatures and gradients, the ionospheric composition, and dynamics. Using ISR data from the 2002 Millstone Hill ISR data campaign, we found, for the first time, slab thickness to be correlated to hmF2. For this, we introduce a new ionospheric index, k, which ultimately relates electron density parameters and can be a very useful tool for describing the topside ionosphere shape. Our study is an initial one location, one season, 30-day study, and future work is needed to verify the robustness of our claim. Generally, the ionospheric profile shape, requires knowledge of several ionospheric parameters: electron, ion and neutral temperatures, ion composition, electric fields, and neutral winds, and is dependent upon seasons, local time, location, and the level of solar and geomagnetic activity; however, with this new index, only readily-available, ionospheric density information is needed. Such information, as used in this study, is obtained from a bottomside electron density profile provided by an ionosonde, and TEC data provided by a local, collocated GPS receiver.

  7. A magnetospheric signature of some F layer positive storms

    NASA Technical Reports Server (NTRS)

    Miller, N. J.; Mayr, H. G.; Grebowsky, J. M.; Harris, I.; Tulunay, Y. K.

    1981-01-01

    Calculations of electron density distributions in the global thermosphere-ionosphere system perturbed by high-latitude thermospheric heating are presented which indicate a link between the heating and magnetospheric plasma disturbances near the equator. The calculations were made using a self-consistent model of the global sunlit thermosphere-ionosphere system describing the evolution of equatorial plasma disturbances. The heat input is found to cause electron density enhancements that propagate along magnetic field lines from the F2 maximum over mid-latitudes to the equator in the magnetosphere and which correspond to the positive phase of an F layer storm. The positive phase is shown to be generated by the induction of equatorward winds that raise the mid-latitude F layer through momentum transfer from neutral atoms to ionospheric ions, which ions pull electrons with them. Model results are used to identify plasma signatures of equatorward winds and an intensified magnetospheric electric field in Explorer 45 and Arial 4 measurements taken during the positive phase of an F layer storm.

  8. Relationship between vertical ExB drift and F2-layer characteristics in the equatorial ionosphere at solar minimum conditions

    NASA Astrophysics Data System (ADS)

    Oyekola, Oyedemi S.

    2012-07-01

    Equatorial and low-latitude electrodynamics plays a dominant role in determining the structure and dynamics of the equatorial and low-latitude ionospheric F-region. Thus, they constitute essential input parameters for quantitative global and regional modeling studies. In this work, hourly median value of ionosonde measurements namely, peak height F2-layer (hmF2), F2-layer critical frequency (foF2) and propagation factor M(3000)F2 made at near equatorial dip latitude, Ouagadougou, Burkina Faso (12oN, 1.5oW; dip: 1.5oN) and relevant F2-layer parameters such as thickness parameter (Bo), electron temperature (Te), ion temperature (Ti), total electron content (TEC) and electron density (Ne, at the fixed altitude of 300 km) provided by the International Reference Ionosphere (IRI) model for the longitude of Ouagadougou are contrasted with the IRI vertical drift model to explore in detail the monthly climatological behavior of equatorial ionosphere and the effects of equatorial vertical plasma drift velocities on the diurnal structure of F2-layer parameters. The analysis period covers four months representative of solstitial and equinoctial seasonal periods during solar minimum year of 1987 for geomagnetically quiet-day. We show that month-by-month morphological patterns between vertical E×B drifts and F2-layer parameters range from worst to reasonably good and are largely seasonally dependent. A cross-correlation analysis conducted between equatorial drift and F2-layer characteristics yield statistically significant correlations for equatorial vertical drift and IRI-Bo, IRI-Te and IRI-TEC, whereas little or no acceptable correlation is obtained with observational evidence. Assessment of the association between measured foF2, hmF2 and M(3000)F2 illustrates consistent much more smaller correlation coefficients with no systematic linkage. In general, our research indicates strong departure from simple electrodynamically controlled behavior.

  9. Density-functional theory applied to d- and f-electron systems

    NASA Astrophysics Data System (ADS)

    Wu, Xueyuan

    Density functional theory (DFT) has been applied to study the electronic and geometric structures of prototype d- and f-electron systems. For the d-electron system, all electron DFT with gradient corrections to the exchange and correlation functionals has been used to investigate the properties of small neutral and cationic vanadium clusters. Results are in good agreement with available experimental and other theoretical data. For the f-electron system, a hybrid DFT, namely, B3LYP (Becke's 3-parameter hybrid functional using the correlation functional of Lee, Yang and Parr) with relativistic effective core potentials and cluster models has been applied to investigate the nature of chemical bonding of both the bulk and the surfaces of plutonium monoxide and dioxide. Using periodic models, the electronic and geometric structures of PuO2 and its (110) surface, as well as water adsorption on this surface have also been investigated using DFT in both local density approximation (LDA) and generalized gradient approximation (GGA) formalisms.

  10. Formation of metal nanoparticles in MgF2, CaF2 and BaF2 crystals under the electron beam irradiation

    NASA Astrophysics Data System (ADS)

    Bochkareva, Elizaveta S.; Sidorov, Alexander I.; Yurina, Uliana V.; Podsvirov, Oleg A.

    2017-07-01

    It is shown experimentally that electron beam action with electrons energies of 50 and 70 keV on MgF2, CaF2 and BaF2 crystals results in local formation in the crystal near-surface layer of Mg, Ca or Ba nanoparticles which possess plasmon resonance. In the case of MgF2 spheroidal nanoparticles are formed, in the cases of CaF2 and BaF2 - spherical. The formation of metal nanoparticles is confirmed by computer simulation in dipole quasistatic approximation. The dependence of absorption via electron irradiation dose is non-linear. It is caused by the increase of nanoparticles concentration and by the increase of nanoparticles sizes during irradiation. In the irradiated zones of MgF2 crystals, for irradiation doses less than 80 mC/cm2, the intense luminescence in a visible range appears. The practical application of fabricated composite materials for multilevel optical information recording is discussed.

  11. Unequal density effect on static structure factor of coupled electron layers

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Saini, L. K., E-mail: lks@ashd.svnit.ac.in; Nayak, Mukesh G., E-mail: lks@ashd.svnit.ac.in

    In order to understand the ordered phase, if any, in a real coupled electron layers (CEL), there is a need to take into account the effect of unequal layer density. Such phase is confirmed by a strong peak in a static structure factor. With the aid of quantum/dynamical version of Singwi, Tosi, Land and Sjölander (so-called qSTLS) approximation, we have calculated the intra- and interlayer static structure factors, S{sub ll}(q) and S{sub 12}(q), over a wide range of density parameter r{sub sl} and interlayer spacing d. In our present study, the sharp peak in S{sub 22}(q) has been found atmore » critical density with sufficiently lower interlayer spacing. Further, to find the resultant effect of unequal density on intra- and interlayer static structure factors, we have compared our results with that of the recent CEL system with equal layer density and isolated single electron layer.« less

  12. On Spatial Structuring of the F2 Layer Studied by the Satellite Radio Sounding of the Ionosphere Disturbed by High-Power HF Radio Waves

    NASA Astrophysics Data System (ADS)

    Tereshchenko, E. D.; Turyansky, V. A.; Khudukon, B. Z.; Yurik, R. Yu.; Frolov, V. L.

    2018-01-01

    We present the results of studying the characteristics of the artificial plasma structures excited in the ionospheric F2 region modified by high-power HF radio waves. The experiments were carried out at the Sura heating facility using satellite radio sounding of the ionosphere. The plasma density profile was reconstructed with the highest possible spatial resolution for today, about 4 km. In a direction close to the magnetic zenith of the pump wave, the following phenomena were observed: the formation of a cavity with a 15% lower plasma density at the altitudes of the F2 layer and below; the formation of an area with plasma density increased by 12% at altitudes greater than 400 km. With a long-term quasiperiodic impact of the pump wave on the ionosphere, wavy large-scale electron-density perturbations (the meridional scale λx ≈ 130 km and the vertical scale λz ≈ 440 km) are also formed above the Sura facility. These perturbations can be due to the plasma density modulation by an artificial acoustic-gravity wave with a period of 10.6 m, which was formed by the heat source inside a large-scale cavity with low plasma density; there is generation of the electron density irregularities for the electrons with ΔNe/Ne ≈ 3% in the form of layers having the sizes 10-12 km along and about 24 km across the geomagnetic field, which are found both below and above the F2-layer maximum. The mechanisms of the formation of these plasma structures are discussed.

  13. Effect of high-energy electron irradiation in an electron microscope column on fluorides of alkaline earth elements (CaF2, SrF2, and BaF2)

    NASA Astrophysics Data System (ADS)

    Nikolaichik, V. I.; Sobolev, B. P.; Zaporozhets, M. A.; Avilov, A. S.

    2012-03-01

    The effect of high-energy (150 eV) electron irradiation in an electron microscope column on crystals of fluorides of alkaline earth elements CaF2, SrF2, and BaF2 is studied. During structural investigations by electron diffraction and electron microscopy, the electron irradiation causes chemical changes in MF2 crystals such as the desorption of fluorine and the accumulation of oxygen in the irradiated area with the formation of oxide MO. The fluorine desorption rate increases significantly when the electron-beam density exceeds the threshold value of ˜2 × 103 pA/cm2). In BaF2 samples, the transformation of BaO into Ba(OH)2 was observed when irradiation stopped. The renewal of irradiation is accompanied by the inverse transformation of Ba(OH)2 into BaO. In the initial stage of irradiation of all MF2 compounds, the oxide phase is in the single-crystal state with a lattice highly matched with the MF2 matrix. When the irradiation dose is increased, the oxide phase passes to the polycrystalline phase. Gaseous products of MF2 destruction (in the form of bubbles several nanometers in diameter) form a rectangular array with a period of ˜20 nm in the sample.

  14. Out-of-plane electron transport in finite layer MoS2

    NASA Astrophysics Data System (ADS)

    Holzapfel, R.; Weber, J.; Lukashev, P. V.; Stollenwerk, A. J.

    2018-05-01

    Ballistic electron emission microscopy (BEEM) has been used to study the processes affecting electron transport along the [0001] direction of finite layer MoS2 flakes deposited onto the surface of Au/Si(001) Schottky diodes. Prominent features present in the differential spectra from the MoS2 flakes are consistent with the density of states of finite layer MoS2 calculated using density functional theory. The ability to observe the electronic structure of the MoS2 appears to be due to the relatively smooth density of states of Si in this energy range and a substantial amount of elastic or quasi-elastic scattering along the MoS2/Au/Si(001) path. Demonstration of these measurements using BEEM suggests that this technique could potentially be used to study electron transport through van der Waals heterostructures, with applications in a number of electronic devices.

  15. Resistance Switching Memory Characteristics of Si/CaF2/CdF2 Quantum-Well Structures Grown on Metal (CoSi2) Layer

    NASA Astrophysics Data System (ADS)

    Denda, Junya; Uryu, Kazuya; Watanabe, Masahiro

    2013-04-01

    A novel scheme of resistance switching random access memory (ReRAM) devices fabricated using Si/CaF2/CdF2/CaF2/Si quantum-well structures grown on metal CoSi2 layer formed on a Si substrate has been proposed, and embryonic write/erase memory operation has been demonstrated at room temperature. It has been found that the oxide-mediated epitaxy (OME) technique for forming the CoSi2 layer on Si dramatically improves the stability and reproducibility of the current-voltage (I-V) curve. This technology involves 10-nm-thick Co layer deposition on a protective oxide prepared by boiling in a peroxide-based solution followed by annealing at 550 °C for 30 min for silicidation in ultrahigh vacuum. A switching voltage of lower than 1 V, a peak current density of 32 kA/cm2, and an ON/OFF ratio of 10 have been observed for the sample with the thickness sequence of 0.9/0.9/2.5/0.9/5.0 nm for the respective layers in the Si/CaF2/CdF2/CaF2/Si structure. Results of surface morphology analysis suggest that the grain size of crystal islands with flat surfaces strongly affects the quality of device characteristics.

  16. Seasonal and Solar Activity Variations of f3 Layer and StF-4 F-Layer Quadruple Stratification) Near the Equatorial Region

    NASA Astrophysics Data System (ADS)

    Tardelli, A.; Fagundes, P. R.; Pezzopane, M.; Kavutarapu, V.

    2016-12-01

    The ionospheric F-layer shape and electron density peak variations depend on local time, latitude, longitude, season, solar cycle, geomagnetic activity, and electrodynamic conditions. In particular, the equatorial and low latitude F-layer may change its shape and peak height in a few minutes due to electric fields induced by propagation of medium-scale traveling ionospheric disturbances (MSTIDs) or thermospheric - ionospheric coupling. This F-layer electrodynamics feature characterizing the low latitudes is one of the most remarkable ionospheric physics research field. The study of multiple-stratification of the F-layer has the initial records in the mid of the 20th century. Since then, many studies were focused on F3 layer. The diurnal, seasonal and solar activity variations of the F3 layer characteristics have been investigated by several researchers. Recently, investigations on multiple-stratifications of F-layer received an important boost after the quadruple stratification (StF-4) was observed at Palmas (10.3°S, 48.3°W; dip latitude 5.5°S - near equatorial region), Brazil (Tardelli & Fagundes, JGR, 2015). This study present the latest findings related with the seasonal and solar activity characteristics of the F3 layer and StF-4 near the equatorial region during the period from 2002 to 2006. A significant connection between StF-4 and F3 layer has been noticed, since the StF-4 is always preceded and followed by an F3 layer appearance. However, the F3 layer and StF-4 present different seasonal and solar cycle variations. At a near equatorial station Palmas, the F3 layer shows the maximum and minimum occurrence during summer and winter seasons respectively. On the contrary, the StF-4 presents the maximum and minimum occurrence during winter and summer seasons respectively. While the F3 layer occurrence is not affected by solar cycle, the StF-4 appearance is instead more frequent during High Solar Activity (HSA).

  17. Spatial Structure of Large-Scale Plasma Density Perturbations HF-Induced in the Ionospheric F 2 Region

    NASA Astrophysics Data System (ADS)

    Frolov, V. L.; Komrakov, G. P.; Glukhov, Ya. V.; Andreeva, E. S.; Kunitsyn, V. E.; Kurbatov, G. A.

    2016-07-01

    We consider the experimental results obtained by studying the large-scale structure of the HF-disturbed ionospheric region. The experiments were performed using the SURA heating facility. The disturbed ionospheric region was sounded by signals radiated by GPS navigation satellite beacons as well as by signals of low-orbit satellites (radio tomography). The results of the experiments show that large-scale plasma density perturbations induced at altitudes higher than the F2 layer maximum can contribute significantly to the measured variations of the total electron density and can, with a certain arrangement of the reception points, be measured by the GPS sounding method.

  18. Persistent Charge-Density-Wave Order in Single-Layer TaSe2.

    PubMed

    Ryu, Hyejin; Chen, Yi; Kim, Heejung; Tsai, Hsin-Zon; Tang, Shujie; Jiang, Juan; Liou, Franklin; Kahn, Salman; Jia, Caihong; Omrani, Arash A; Shim, Ji Hoon; Hussain, Zahid; Shen, Zhi-Xun; Kim, Kyoo; Min, Byung Il; Hwang, Choongyu; Crommie, Michael F; Mo, Sung-Kwan

    2018-02-14

    We present the electronic characterization of single-layer 1H-TaSe 2 grown by molecular beam epitaxy using a combined angle-resolved photoemission spectroscopy, scanning tunneling microscopy/spectroscopy, and density functional theory calculations. We demonstrate that 3 × 3 charge-density-wave (CDW) order persists despite distinct changes in the low energy electronic structure highlighted by the reduction in the number of bands crossing the Fermi energy and the corresponding modification of Fermi surface topology. Enhanced spin-orbit coupling and lattice distortion in the single-layer play a crucial role in the formation of CDW order. Our findings provide a deeper understanding of the nature of CDW order in the two-dimensional limit.

  19. Electron density modification in ionospheric E layer by inserting fine dust particles

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Misra, Shikha, E-mail: shikhamish@gmail.com; Mishra, S. K.

    2015-02-15

    In this paper, we have developed the kinetics of E-region ionospheric plasma comprising of fine dust grains and shown that the electron density in E-layer can purposely be reduced/enhanced up to desired level by inserting fine dust particles of appropriate physical/material properties; this may certainly be promising for preferred rf-signal processing through these layers. The analytical formulation is based on average charge theory and includes the number and energy balance of the plasma constituents along with charge balance over dust particles. The effect of varying number density, work function, and photo-efficiency of dust particles on ionospheric plasma density at differentmore » altitude in E-layer has been critically examined and presented graphically.« less

  20. Density Functional Study of Structures and Electron Affinities of BrO4F/BrO4F−

    PubMed Central

    Gong, Liangfa; Xiong, Jieming; Wu, Xinmin; Qi, Chuansong; Li, Wei; Guo, Wenli

    2009-01-01

    The structures, electron affinities and bond dissociation energies of BrO4F/BrO4F− species have been investigated with five density functional theory (DFT) methods with DZP++ basis sets. The planar F-Br…O2…O2 complexes possess 3A′ electronic state for neutral molecule and 4A′ state for the corresponding anion. Three types of the neutral-anion energy separations are the adiabatic electron affinity (EAad), the vertical electron affinity (EAvert), and the vertical detachment energy (VDE). The EAad value predicted by B3LYP method is 4.52 eV. The bond dissociation energies De (BrO4F → BrO4-mF + Om) (m = 1–4) and De− (BrO4F− → BrO4-mF− + Om and BrO4F− → BrO4-mF + Om−) are predicted. The adiabatic electron affinities (EAad) were predicted to be 4.52 eV for F-Br…O2…O2 (3A′←4A′) (B3LYP method). PMID:19742128

  1. Universal time dependence of nighttime F region densities at high latitudes

    NASA Technical Reports Server (NTRS)

    De La Beaujardiere, O.; Wickwar, V. B.; Caudal, G.; Holt, J. M.; Craven, J. D.; Frank, L. A.; Brace, L. H.

    1985-01-01

    Coincident auroral-zone experiments using three incoherent-scatter radars at widely spaced longitudes are reported. The observational results demonstrate that, during the night, the F layer electron density is strongly dependent on the longitude of the observing site. Ionization patches were observed in the nighttime F region from the Chatanika and EISCAT radars, while densities observed from the Millstone radar were substantially smaller. The electron density within these maxima is larger at EISCAT than at Chatanika. When observed in the midnight sector auroral zone, these densities had a peak density at a high altitude of 360-475 km. The density was maximum when EISCAT was in the midnight sector and minimum when Millstone was in the midnight sector. A minimum in insolation in the auroral zone occurs at the UT when Millstone is in the midnight sector.

  2. Suppression in the electrical hysteresis by using CaF2 dielectric layer for p-GaN MIS capacitors

    NASA Astrophysics Data System (ADS)

    Sang, Liwen; Ren, Bing; Liao, Meiyong; Koide, Yasuo; Sumiya, Masatomo

    2018-04-01

    The capacitance-voltage (C-V) hysteresis in the bidirectional measurements of the p-GaN metal-insulator-semiconductor (MIS) capacitor is suppressed by using a CaF2 dielectric layer and a post annealing treatment. The density of trapped charge states at the CaF2/p-GaN interface is dramatically reduced from 1.3 × 1013 cm2 to 1.1 × 1011/cm2 compared to that of the Al2O3/p-GaN interface with a large C-V hysteresis. It is observed that the disordered oxidized interfacial layer can be avoided by using the CaF2 dielectric. The downward band bending of p-GaN is decreased from 1.51 to 0.85 eV as a result of the low-density oxides-related trap states. Our work indicates that the CaF2 can be used as a promising dielectric layer for the p-GaN MIS structures.

  3. Remote sensing of the ionospheric F layer by use of O I 6300-A and O I 1356-A observations

    NASA Technical Reports Server (NTRS)

    Chandra, S.; Reed, E. I.; Meier, R. R.; Opal, C. B.; Hicks, G. T.

    1975-01-01

    The possibility of using airglow techniques for estimating the electron density and height of the F layer is studied on the basis of a simple relationship between the height of the F2 peak and the column emission rates of the O I 6300 A and O I 1356 A lines. The feasibility of this approach is confirmed by a numerical calculation of F2 peak heights and electron densities from simultaneous measurements of O I 6300 A and O I 1356 A obtained with earth-facing photometers carried by the Ogo 4 satellite. Good agreement is established with the F2 peak heights estimates from top-side and bottom-side ionospheric sounding.

  4. MgF2 monolayer as an anti-reflecting material

    NASA Astrophysics Data System (ADS)

    Mahida, H. R.; Singh, Deobrat; Sonvane, Yogesh; Gupta, Sanjeev K.; Thakor, P. B.

    2017-02-01

    The single-layer atomic sheet of magnesium fluoride (MgF2) having 1H and 1T phase structure (hexagonal and tetragonal phase) has been calculated by density functional theory (DFT). Further, we have investigated the structural, electronic and optical properties such as frequency dependent dielectric function, absorption spectra, energy loss spectra, reflectivity, refractive index and optical conductivity of monolayer MgF2 for the direction of parallel and perpendicular electric field polarizations. Our results suggest that monolayer MgF2 provides promising applications in anti-reflection coatings, high-reflective systems and in opto-electronic materials.

  5. Achieving High Current Density of Perovskite Solar Cells by Modulating the Dominated Facets of Room-Temperature DC Magnetron Sputtered TiO2 Electron Extraction Layer.

    PubMed

    Huang, Aibin; Lei, Lei; Zhu, Jingting; Yu, Yu; Liu, Yan; Yang, Songwang; Bao, Shanhu; Cao, Xun; Jin, Ping

    2017-01-25

    The short circuit current density of perovskite solar cell (PSC) was boosted by modulating the dominated plane facets of TiO 2 electron transport layer (ETL). Under optimized condition, TiO 2 with dominant {001} facets showed (i) low incident light loss, (ii) highly smooth surface and excellent wettability for precursor solution, (iii) efficient electron extraction, and (iv) high conductivity in perovskite photovoltaic application. A current density of 24.19 mA cm -2 was achieved as a value near the maximum limit. The power conversion efficiency was improved to 17.25%, which was the record value of PSCs with DC magnetron sputtered carrier transport layer. What is more, the room-temperature process had a great significance for the cost reduction and flexible application of PSCs.

  6. Empirical model for the electron density peak height disturbance in response to solar wind conditions

    NASA Astrophysics Data System (ADS)

    Blanch, E.; Altadill, D.

    2009-04-01

    Geomagnetic storms disturb the quiet behaviour of the ionosphere, its electron density and the electron density peak height, hmF2. Many works have been done to predict the variations of the electron density but few efforts have been dedicated to predict the variations the hmF2 under disturbed helio-geomagnetic conditions. We present the results of the analyses of the F2 layer peak height disturbances occurred during intense geomagnetic storms for one solar cycle. The results systematically show a significant peak height increase about 2 hours after the beginning of the main phase of the geomagnetic storm, independently of both the local time position of the station at the onset of the storm and the intensity of the storm. An additional uplift is observed in the post sunset sector. The duration of the uplift and the height increase are dependent of the intensity of the geomagnetic storm, the season and the local time position of the station at the onset of the storm. An empirical model has been developed to predict the electron density peak height disturbances in response to solar wind conditions and local time which can be used for nowcasting and forecasting the hmF2 disturbances for the middle latitude ionosphere. This being an important output for EURIPOS project operational purposes.

  7. Global model of the F2 layer peak height for low solar activity based on GPS radio-occultation data

    NASA Astrophysics Data System (ADS)

    Shubin, V. N.; Karpachev, A. T.; Tsybulya, K. G.

    2013-11-01

    We propose a global median model SMF2 (Satellite Model of the F2 layer) of the ionospheric F2-layer height maximum (hmF2), based on GPS radio-occultation data for low solar activity periods (F10.7A<80). The model utilizes data provided by GPS receivers onboard satellites CHAMP (~100,000 hmF2 values), GRACE (~70,000) and COSMIC (~2,000,000). The data were preprocessed to remove cases where the absolute maximum of the electron density lies outside the F2 region. Ground-based ionospheric sounding data were used for comparison and validation. Spatial dependence of hmF2 is modeled by a Legendre-function expansion. Temporal dependence, as a function of Universal Time (UT), is described by a Fourier expansion. Inputs of the model are: geographical coordinates, month and F10.7A solar activity index. The model is designed for quiet geomagnetic conditions (Kр=1-2), typical for low solar activity. SMF2 agrees well with the International Reference Ionosphere model (IRI) in those regions, where the ground-based ionosonde network is dense. Maximal difference between the models is found in the equatorial belt, over the oceans and the polar caps. Standard deviations of the radio-occultation and Digisonde data from the predicted SMF2 median are 10-16 km for all seasons, against 13-29 km for IRI-2012. Average relative deviations are 3-4 times less than for IRI, 3-4% against 9-12%. Therefore, the proposed hmF2 model is more accurate than IRI-2012.

  8. Investigation of mid-latitude electron density enhancement using total electron content measurements and FORMOSAT-3/COSMIC electron density profiles

    NASA Astrophysics Data System (ADS)

    Rajesh, P. K.; Nanan, Balan; Liu, Jann-Yenq; Lin, Charles C. H.; Chang, S. Y.; Chen, Chia-Hung

    This study investigates the mid-latitude electron density enhancement (MEDE) using global ionospheric map (GIM) total electron content (TEC) measurements and FORMOSAT-3/COSMIC (F3/C) electron density profiles. Diurnal, seasonal, latitudinal, and solar activity variations in the occurrence and strength of MEDE are examined using global GIM TEC data in the years 2002 and 2009. The results show that MEDE occurrence is pronounced during 2200-0400 LT, the feature also appears during day. The strength of MEDE maximizes around 0400 LT, and is very weak during daytime. The occurrence and strength show significant longitude dependence, and vary with season and solar activity. Concurrent F3/C electron density profiles also reveal enhancement of the peak electron density and total electron content. Further studies are carried out by examining the role of neutral wind in re-organizing the plasma using SAMI2 and HWM93 models. The results indicate that meridional neutral wind could cause the plasma to converge over mid-latitudes, and thus support in maintaining the enhancement.

  9. Density functional theory of electron transfer beyond the Born-Oppenheimer approximation: Case study of LiF

    NASA Astrophysics Data System (ADS)

    Li, Chen; Requist, Ryan; Gross, E. K. U.

    2018-02-01

    We perform model calculations for a stretched LiF molecule, demonstrating that nonadiabatic charge transfer effects can be accurately and seamlessly described within a density functional framework. In alkali halides like LiF, there is an abrupt change in the ground state electronic distribution due to an electron transfer at a critical bond length R = Rc, where an avoided crossing of the lowest adiabatic potential energy surfaces calls the validity of the Born-Oppenheimer approximation into doubt. Modeling the R-dependent electronic structure of LiF within a two-site Hubbard model, we find that nonadiabatic electron-nuclear coupling produces a sizable elongation of the critical Rc by 0.5 bohr. This effect is very accurately captured by a simple and rigorously derived correction, with an M-1 prefactor, to the exchange-correlation potential in density functional theory, M = reduced nuclear mass. Since this nonadiabatic term depends on gradients of the nuclear wave function and conditional electronic density, ∇Rχ(R) and ∇Rn(r, R), it couples the Kohn-Sham equations at neighboring R points. Motivated by an observed localization of nonadiabatic effects in nuclear configuration space, we propose a local conditional density approximation—an approximation that reduces the search for nonadiabatic density functionals to the search for a single function y(n).

  10. Al{sub 2}O{sub 3} multi-density layer structure as a moisture permeation barrier deposited by radio frequency remote plasma atomic layer deposition

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Jung, Hyunsoo; Samsung Display Co. Ltd., Tangjeong, Chungcheongnam-Do 336-741; Jeon, Heeyoung

    2014-02-21

    Al{sub 2}O{sub 3} films deposited by remote plasma atomic layer deposition have been used for thin film encapsulation of organic light emitting diode. In this study, a multi-density layer structure consisting of two Al{sub 2}O{sub 3} layers with different densities are deposited with different deposition conditions of O{sub 2} plasma reactant time. This structure improves moisture permeation barrier characteristics, as confirmed by a water vapor transmission rate (WVTR) test. The lowest WVTR of the multi-density layer structure was 4.7 × 10{sup −5} gm{sup −2} day{sup −1}, which is one order of magnitude less than WVTR for the reference single-density Al{submore » 2}O{sub 3} layer. This improvement is attributed to the location mismatch of paths for atmospheric gases, such as O{sub 2} and H{sub 2}O, in the film due to different densities in the layers. This mechanism is analyzed by high resolution transmission electron microscopy, elastic recoil detection, and angle resolved X-ray photoelectron spectroscopy. These results confirmed that the multi-density layer structure exhibits very good characteristics as an encapsulation layer via location mismatch of paths for H{sub 2}O and O{sub 2} between the two layers.« less

  11. A density-functional study on the electronic and vibrational properties of layered antimony telluride.

    PubMed

    Stoffel, Ralf P; Deringer, Volker L; Simon, Ronnie E; Hermann, Raphaël P; Dronskowski, Richard

    2015-03-04

    We present a comprehensive survey of electronic and lattice-dynamical properties of crystalline antimony telluride (Sb2Te3). In a first step, the electronic structure and chemical bonding have been investigated, followed by calculations of the atomic force constants, phonon dispersion relationships and densities of states. Then, (macroscopic) physical properties of Sb2Te3 have been computed, namely, the atomic thermal displacement parameters, the Grüneisen parameter γ, the volume expansion of the lattice, and finally the bulk modulus B. We compare theoretical results from three popular and economic density-functional theory (DFT) approaches: the local density approximation (LDA), the generalized gradient approximation (GGA), and a posteriori dispersion corrections to the latter. Despite its simplicity, the LDA shows excellent performance for all properties investigated-including the Grüneisen parameter, which only the LDA is able to recover with confidence. In the absence of computationally more demanding hybrid DFT methods, the LDA seems to be a good choice for further lattice dynamical studies of Sb2Te3 and related layered telluride materials.

  12. Density functional theory of electron transfer beyond the Born-Oppenheimer approximation: Case study of LiF.

    PubMed

    Li, Chen; Requist, Ryan; Gross, E K U

    2018-02-28

    We perform model calculations for a stretched LiF molecule, demonstrating that nonadiabatic charge transfer effects can be accurately and seamlessly described within a density functional framework. In alkali halides like LiF, there is an abrupt change in the ground state electronic distribution due to an electron transfer at a critical bond length R = R c , where an avoided crossing of the lowest adiabatic potential energy surfaces calls the validity of the Born-Oppenheimer approximation into doubt. Modeling the R-dependent electronic structure of LiF within a two-site Hubbard model, we find that nonadiabatic electron-nuclear coupling produces a sizable elongation of the critical R c by 0.5 bohr. This effect is very accurately captured by a simple and rigorously derived correction, with an M -1 prefactor, to the exchange-correlation potential in density functional theory, M = reduced nuclear mass. Since this nonadiabatic term depends on gradients of the nuclear wave function and conditional electronic density, ∇ R χ(R) and ∇ R n(r, R), it couples the Kohn-Sham equations at neighboring R points. Motivated by an observed localization of nonadiabatic effects in nuclear configuration space, we propose a local conditional density approximation-an approximation that reduces the search for nonadiabatic density functionals to the search for a single function y(n).

  13. Structure and magnetic properties of oxychalcogenides A2F2Fe2OQ2 (A = Sr, Ba; Q = S, Se) with Fe2O square planar layers representing an antiferromagnetic checkerboard spin lattice.

    PubMed

    Kabbour, Houria; Janod, Etienne; Corraze, Benoît; Danot, Michel; Lee, Changhoon; Whangbo, Myung-Hwan; Cario, Laurent

    2008-07-02

    The oxychalcogenides A2F2Fe2OQ2 (A = Sr, Ba; Q = S, Se), which contain Fe2O square planar layers of the anti-CuO2 type, were predicted using a modular assembly of layered secondary building units and subsequently synthesized. The physical properties of these compounds were characterized using magnetic susceptibility, electrical resistivity, specific heat, (57)Fe Mossbauer, and powder neutron diffraction measurements and also by estimating their exchange interactions on the basis of first-principles density functional theory electronic structure calculations. These compounds are magnetic semiconductors that undergo a long-range antiferromagnetic ordering below 83.6-106.2 K, and their magnetic properties are well-described by a two-dimensional Ising model. The dominant antiferromagnetic spin exchange interaction between S = 2 Fe(2+) ions occurs through corner-sharing Fe-O-Fe bridges. Moreover, the calculated spin exchange interactions show that the A2F2Fe2OQ2 (A = Sr, Ba; Q = S, Se) compounds represent a rare example of a frustrated antiferromagnetic checkerboard lattice.

  14. Imaging Electron Motion in a Few Layer MoS2 Device

    NASA Astrophysics Data System (ADS)

    Bhandari, S.; Wang, K.; Watanabe, K.; Taniguchi, T.; Kim, P.; Westervelt, R. M.

    2017-06-01

    Ultrathin sheets of MoS2 are a newly discovered 2D semiconductor that holds great promise for nanoelectronics. Understanding the pattern of current flow will be crucial for developing devices. In this talk, we present images of current flow in MoS2 obtained with a Scanned Probe Microscope (SPM) cooled to 4 K. We previously used this technique to image electron trajectories in GaAs/AlGaAs heterostructures and graphene. The charged SPM tip is held just above the sample surface, creating an image charge inside the device that scatters electrons. By measuring the change in resistance ΔR while the tip is raster scanned above the sample, an image of electron flow is obtained. We present images of electron flow in an MoS2 device patterned into a hall bar geometry. A three-layer MoS2 sheet is encased by two hBN layers, top and bottom, and patterned into a hall-bar with multilayer graphene contacts. An SPM image shows the current flow pattern from the wide contact at the end of the device for a Hall density n = 1.3×1012 cm-2. The SPM tip tends to block flow, increasing the resistance R. The pattern of flow was also imaged for a narrow side contact on the sample. At density n = 5.4×1011 cm-2; the pattern seen in the SPM image is similar to the wide contact. The ability to image electron flow promises to be very useful for the development of ultrathin devices from new 2D materials.

  15. The determination of ionospheric electron content and distribution from satellite observations. Part 2. Results of the analysis

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Garriott, O K

    1960-04-01

    The results of observations of the radio transmissions from Sputnik III (1958 δ 2) in an 8-month period are presented. The measurements of integrated electron density are made in two ways, described in part 1. The measurements reveal the diurnal variation of the total ionospheric electron content; and the ratio of the total content to the content of the lower ionosphere below the height of maximum density in the F layer is obtained. An estimate of the average electron-density profile above the F-layer peak is made possible by the slow variation in the height of the satellite due to rotationmore » of the perigee position. The gross effects of large magnetic storms on the electron content and distribution are found.« less

  16. Structure evolution and thermal stability of high-energy density Li-ion battery cathode Li 2VO 2F

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wang, Xiaoya; Huang, Yiqing; Ji, Dongsheng

    Lithium-ion batteries (LIBs) provide high-energy-density electrochemical energy storage, which plays a central role in advancing technologies ranging from portable electronics to electric vehicles (EVs). However, a demand for lighter, more compact devices and for extended range EVs continues to fuel the need for higher energy density storage systems. Li 2VO 2F, which is synthesized in its lithiated state, allows two-electron transfer per formula during the electrochemical reaction providing a high theoretical capacity of 462 mAh/g. Herein, the synthesis and electrochemical performance of Li 2VO 2F are optimized. The thermal stability of Li 2VO 2F, which is related to the safetymore » of a battery is studied by thermal gravimetric analysis. The structure and vanadium oxidation state evolution along Li cycling are studied by ex-situ X-ray diffraction and absorption techniques. It is shown that the rock-salt structure of pristine Li 2VO 2F is stable up to at least 250°C, and is preserved upon Li cycling, which proceeds by the solid-solution mechanism. However, not all Li can be removed from the structure upon charge to 4.5 V, limiting the experimentally obtained capacity.« less

  17. Structure evolution and thermal stability of high-energy density Li-ion battery cathode Li 2VO 2F

    DOE PAGES

    Wang, Xiaoya; Huang, Yiqing; Ji, Dongsheng; ...

    2017-05-24

    Lithium-ion batteries (LIBs) provide high-energy-density electrochemical energy storage, which plays a central role in advancing technologies ranging from portable electronics to electric vehicles (EVs). However, a demand for lighter, more compact devices and for extended range EVs continues to fuel the need for higher energy density storage systems. Li 2VO 2F, which is synthesized in its lithiated state, allows two-electron transfer per formula during the electrochemical reaction providing a high theoretical capacity of 462 mAh/g. Herein, the synthesis and electrochemical performance of Li 2VO 2F are optimized. The thermal stability of Li 2VO 2F, which is related to the safetymore » of a battery is studied by thermal gravimetric analysis. The structure and vanadium oxidation state evolution along Li cycling are studied by ex-situ X-ray diffraction and absorption techniques. It is shown that the rock-salt structure of pristine Li 2VO 2F is stable up to at least 250°C, and is preserved upon Li cycling, which proceeds by the solid-solution mechanism. However, not all Li can be removed from the structure upon charge to 4.5 V, limiting the experimentally obtained capacity.« less

  18. Electron density and currents of AlN/GaN high electron mobility transistors with thin GaN/AlN buffer layer

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bairamis, A.; Zervos, Ch.; Georgakilas, A., E-mail: alexandr@physics.uoc.gr

    2014-09-15

    AlN/GaN high electron mobility transistor (HEMT) structures with thin GaN/AlN buffer layer have been analyzed theoretically and experimentally, and the effects of the AlN barrier and GaN buffer layer thicknesses on two-dimensional electron gas (2DEG) density and transport properties have been evaluated. HEMT structures consisting of [300 nm GaN/ 200 nm AlN] buffer layer on sapphire were grown by plasma-assisted molecular beam epitaxy and exhibited a remarkable agreement with the theoretical calculations, suggesting a negligible influence of the crystalline defects that increase near the heteroepitaxial interface. The 2DEG density varied from 6.8 × 10{sup 12} to 2.1 × 10{sup 13} cm{sup −2} as themore » AlN barrier thickness increased from 2.2 to 4.5 nm, while a 4.5 nm AlN barrier would result to 3.1 × 10{sup 13} cm{sup −2} on a GaN buffer layer. The 3.0 nm AlN barrier structure exhibited the highest 2DEG mobility of 900 cm{sup 2}/Vs for a density of 1.3 × 10{sup 13} cm{sup −2}. The results were also confirmed by the performance of 1 μm gate-length transistors. The scaling of AlN barrier thickness from 1.5 nm to 4.5 nm could modify the drain-source saturation current, for zero gate-source voltage, from zero (normally off condition) to 0.63 A/mm. The maximum drain-source current was 1.1 A/mm for AlN barrier thickness of 3.0 nm and 3.7 nm, and the maximum extrinsic transconductance was 320 mS/mm for 3.0 nm AlN barrier.« less

  19. Inference of equatorial field-line-integrated electron density values using whistlers

    NASA Technical Reports Server (NTRS)

    Anderson, D. N.; Kintner, P. M.; Kelley, M. C.

    1985-01-01

    The nighttime electron density integrated along a magnetic field line at very small L-values (about 1.06) is inferred by comparing whistler dispersions, measured from a sounding rocket, with model ionospheric calculations. At a local time of 0500 LT, the electron density in the F-layer valley was found to be about 1000 per cu cm. It is suggested that this technique can be applied to earlier times in the local evening to determine ionospheric conditions which benefit the growth of low-latitude plasma instabilities.

  20. Likelihood-based modification of experimental crystal structure electron density maps

    DOEpatents

    Terwilliger, Thomas C [Sante Fe, NM

    2005-04-16

    A maximum-likelihood method for improves an electron density map of an experimental crystal structure. A likelihood of a set of structure factors {F.sub.h } is formed for the experimental crystal structure as (1) the likelihood of having obtained an observed set of structure factors {F.sub.h.sup.OBS } if structure factor set {F.sub.h } was correct, and (2) the likelihood that an electron density map resulting from {F.sub.h } is consistent with selected prior knowledge about the experimental crystal structure. The set of structure factors {F.sub.h } is then adjusted to maximize the likelihood of {F.sub.h } for the experimental crystal structure. An improved electron density map is constructed with the maximized structure factors.

  1. F layer positive response to a geomagnetic storm - June 1972

    NASA Technical Reports Server (NTRS)

    Miller, N. J.; Grebowsky, J. M.; Mayr, H. G.; Harris, I.; Tulunay, Y. K.

    1979-01-01

    A circulation model of neutral thermosphere-ionosphere coupling is used to interpret in situ spacecraft measurements taken during a topside midlatitude ionospheric storm. The data are measurements of electron density taken along the circular polar orbit of Ariel 4 at 550 km during the geomagnetically disturbed period June 17-18, 1972. It is inferred that collisional momentum transfer from the disturbed neutral thermosphere to the ionosphere was the dominant midday process generating the positive F-layer storm phase in the summer hemisphere. In the winter hemisphere the positive storm phase drifted poleward in the apparent response to magnetospheric E x B drifts. A summer F-layer positive phase developed at the sudden commencement and again during the geomagnetic main phase; a winter F-layer positive phase developed only during the geomagnetic main phase. The observed seasonal differences in both the onsets and the magnitudes of the positive phases are attributed to the interhemispheric asymmetry in thermospheric dynamics.

  2. Electron Trap Energy Distribution in ALD Al2O3, LaAl4Ox, and GdyAl2-yO3 Layers on Silicon

    NASA Astrophysics Data System (ADS)

    Wang, W. C.; Badylevich, M.; Adelmann, C.; Swerts, J.; Kittl, J. A.; Afanas'ev, V. V.

    2012-12-01

    The energy distribution of electron trap density in atomic layer deposited Al2O3, LaAl4Ox and GdyAl2-yO3 insulating layers was studied by using the exhaustive photodepopulation spectroscopy. Upon filling the traps by electron tunneling from Si substrate, a broad energy distribution of trap levels in the energy range 2-4 eV is found in all studied insulators with trap densities in the range of 1012 cm-2eV-1. The incorporation of La and Gd cations reduces the trap density in aluminate layers as compared to Al2O3. Crystallization of the insulator by the post-deposition annealing is found to increase the trap density while the energy distribution remains unchanged. The similar trap spectra in the Al2O3 and La or Gd aluminate layers suggest the common nature of the traps, probably originating from imperfections in the AlOx sub-network.

  3. Slow electron acoustic double layer (SEADL) structures in bi-ion plasma with trapped electrons

    NASA Astrophysics Data System (ADS)

    Shan, Shaukat Ali; Imtiaz, Nadia

    2018-05-01

    The properties of ion acoustic double layer (IADL) structures in bi-ion plasma with electron trapping are investigated by using the quasi-potential analysis. The κ-distributed trapped electrons number density expression is truncated to some finite order of the electrostatic potential. By utilizing the reductive perturbation method, a modified Schamel equation which describes the evolution of the slow electron acoustic double layer (SEADL) with the modified speed due to the presence of bi-ion species is investigated. The Sagdeev-like potential has been derived which accounts for the effect of the electron trapping and superthermality in a bi-ion plasma. It is found that the superthermality index, the trapping efficiency of electrons, and ion to electron temperature ratio are the inhibiting parameters for the amplitude of the slow electron acoustic double layers (SEADLs). However, the enhanced population of the cold ions is found to play a supportive role for the low frequency DLs in bi-ion plasmas. The illustrations have been presented with the help of the bi-ion plasma parameters in the Earth's ionosphere F-region.

  4. Morphology of the winter anomaly in NmF2 and Total Electron Content

    NASA Astrophysics Data System (ADS)

    Yasyukevich, Yury; Ratovsky, Konstantin; Yasyukevich, Anna; Klimenko, Maksim; Klimenko, Vladimir; Chirik, Nikolay

    2017-04-01

    We analyzed the winter anomaly manifestation in the F2 peak electron density (NmF2) and Total Electron Content (TEC) based on the observation data and model calculation results. For the analysis we used 1998-2015 TEC Global Ionospheric Maps (GIM) and NmF2 ground-based ionosonde observation data from and COSMIC, CHAMP and GRACE radio occultation data. We used Global Self-consistent Model of the Thermosphere, Ionosphere, and Protonosphere (GSM TIP) and International Reference Ionosphere model (IRI-2012). Based on the observation data and model calculation results we constructed the maps of the winter anomaly intensity in TEC and NmF2 for the different solar and geomagnetic activity levels. The winter anomaly intensity was found to be higher in NmF2 than in TEC according to both observation and modeling. In this report we show the similarity and difference in winter anomaly as revealed in experimental data and model results.

  5. Electronic and thermodynamic properties of layered Hf2Sfrom first-principles calculations

    NASA Astrophysics Data System (ADS)

    Nandadasa, Chandani; Yoon, Mina; Kim, Seong-Gon; Erwin, Steve; Kim, Sungho; Kim, Sung Wng; Lee, Kimoon

    Theoretically we explored two stable phases of inorganic fullerene-like structure of the layered dihafnium sulfide (Hf2 S) . We investigated structural and electronic properties of the two phases of Hf2 S by using first-principles calculations. Our calculation identifies experimentally observed anti-NbS2 structure of Hf2 S . Our electronic calculation results indicate that the density of states of anti- NbS2 structure of Hf2 S at fermi level is less than that of the other phase of Hf2 S . To study the relative stability of different phases at finite temperature Helmholtz free energies of two phases are obtained using density functional theory and density functional perturbation theory. The free energy of the anti-NbS2 structure of Hf2 S always lies below the free energy of the other phase by confirming the most stable structure of Hf2 S . The phonon dispersion, phonon density of states including partial density of states and total density of states are obtained within density functional perturbation theory. Our calculated zero-pressure phonon dispersion curves confirm that the thermodynamic stability of Hf2 S structures. For further investigation of thermodynamic properties, the temperature dependency of thermal expansion, heat capacities at constant pressure and volume are evaluated within the quasiharmonic approximations (QHA).

  6. Validation of COSMIC radio occultation electron density profiles by incoherent scatter radar data

    NASA Astrophysics Data System (ADS)

    Cherniak, Iurii; Zakharenkova, Irina

    majority of the ionospheric parameters -density and kinetic temperature of electron and main ions, the plasma drift velocity and others. The comparison of RO reveals that usually COSMIC RO profiles are in a rather good agreement with ISR profiles both in the F2 layer peak electron density (NmF2) and the form of profiles. The coincidence of profiles is better in the cases when projection of the ray path of tangent points is closer to the ISR location. It is necessary to note that retrieved electron density profiles should not be interpreted as actual vertical profiles. The geographical location of the ray path tangent points at the top and at the bottom of a profile may differ by several hundred kilometers. So the spatial smearing of data takes place and RO technique represents an image of vertical and horizontal ionospheric structure. That is why the comparison with ground-based data has rather relative character. We derived quantitative parameters to char-acterize the differences of the compared profiles: the peak height difference, the relative peak density difference. Most of the compared profiles agree within error limits, depending on the accuracy of the occultation-and the radar-derived profiles. In general COSMIC RO profiles are in a good agreement with incoherent radar profiles both in the F2 layer peak electron density (NmF2) and the form of the profiles. The coincidence of COSMIC and incoherent radar pro-files is better in the cases when projection of the ray path tangent points is closer to the radar location. COSMIC measurements can be efficiently used to study the topside part of the iono-spheric electron density. To validate the reliability of the COSMIC ionospheric observations it must be done the big work on the analysis and statistical generalization of the huge data array (today the total number of ionospheric occultation is more than 2.300.000), but this technique is a very promising one to retrieve accurate profiles of the ionospheric electron density

  7. The 7 × 1 Fermi Surface Reconstruction in a Two-dimensional f -electron Charge Density Wave System: PrTe 3

    DOE PAGES

    Lee, Eunsook; Kim, D. H.; Kim, Hyun Woo; ...

    2016-07-25

    The electronic structure of a charge density wave (CDW) system PrTe 3 and its modulated structure in the CDW phase have been investigated by employing ARPES, XAS, Pr 4 f RPES, and first-principles band structure calculation. Pr ions are found to be nearly trivalent, supporting the CDW instability in the metallic Te sheets through partial filling. Finite Pr 4 f spectral weight is observed near the Fermi level, suggesting the non-negligible Pr 4 f contribution to the CDW formation through the Pr 4 f -Te 5p hybridization. The two-fold symmetric features in the measured Fermi surface (FS) of PrTe 3more » are explained by the calculated FS for the assumed 7 × 1 CDW supercell formation in Te sheets. The shadow bands and the corresponding very weak FSs are observed, which originate from both the band folding due to the 3D interaction of Te sheets with neighboring Pr-Te layers and that due to the CDW-induced FS reconstruction. The straight vertical FSs are observed along k z, demonstrating the nearly 2D character for the near-EF states. The observed linear dichroism reveals the in-plane orbital character of the near-E F Te 5p states.« less

  8. Atomic Layer Deposition of Stable LiAlF4 Lithium Ion Conductive Interfacial Layer for Stable Cathode Cycling.

    PubMed

    Xie, Jin; Sendek, Austin D; Cubuk, Ekin D; Zhang, Xiaokun; Lu, Zhiyi; Gong, Yongji; Wu, Tong; Shi, Feifei; Liu, Wei; Reed, Evan J; Cui, Yi

    2017-07-25

    Modern lithium ion batteries are often desired to operate at a wide electrochemical window to maximize energy densities. While pushing the limit of cutoff potentials allows batteries to provide greater energy densities with enhanced specific capacities and higher voltage outputs, it raises key challenges with thermodynamic and kinetic stability in the battery. This is especially true for layered lithium transition-metal oxides, where capacities can improve but stabilities are compromised as wider electrochemical windows are applied. To overcome the above-mentioned challenges, we used atomic layer deposition to develop a LiAlF 4 solid thin film with robust stability and satisfactory ion conductivity, which is superior to commonly used LiF and AlF 3 . With a predicted stable electrochemical window of approximately 2.0 ± 0.9 to 5.7 ± 0.7 V vs Li + /Li for LiAlF 4 , excellent stability was achieved for high Ni content LiNi 0.8 Mn 0.1 Co 0.1 O 2 electrodes with LiAlF 4 interfacial layer at a wide electrochemical window of 2.75-4.50 V vs Li + /Li.

  9. Plasmon dispersion and Coulomb drag in low-density electron bi-layers

    NASA Astrophysics Data System (ADS)

    Badalyan, S. M.; Kim, C. S.; Vignale, G.; Senatore, G.

    2007-03-01

    We investigate the effect of exchange and correlation (xc) on the plasmon spectrum and the Coulomb drag between spatially separated low-density two-dimensional electron layers. We adopt a new approach, which employs dynamic xc kernels in the calculation of the bi-layer plasmon spectra and of the plasmon-mediated drag, and static many-body local field factors in the calculation of the particle-hole contribution to the drag. We observe that both optical and acoustical plasmon modes are strongly affected by xc corrections and shift in opposite directions with decreasing density. This is in stark contrast with the tendency observed within the random phase approximation (RPA). We find that the introduction of xc corrections results in a significant enhancement of the transresistivity and qualitative changes in its temperature dependence. In particular, the large high-temperature plasmon peak that is present in the RPA is found to disappear when the xc corrections are included. Our numerical results are in good agreement with the results of recent experiments by M. Kellogg et al., Solid State Commun. 123, 515 (2002).

  10. Statistical behavior of the longitudinal variations of daytime electron density in the topside ionosphere at middle latitudes

    NASA Astrophysics Data System (ADS)

    Su, Fanfan; Wang, Wenbin; Burns, Alan G.; Yue, Xinan; Zhu, Fuying; Lin, Jian

    2016-11-01

    Electron density in the topside ionosphere has significant variations with latitude, longitude, altitude, local time, season, and solar cycle. This paper focuses on the global and seasonal features of longitudinal structures of daytime topside electron density (Ne) at middle latitudes and their possible causes. We used in situ Ne measured by DEMETER and F2 layer peak height (hmF2) and peak density (NmF2) from COSMIC. The longitudinal variations of the daytime topside Ne show a wave number 2-type structure in the Northern Hemisphere, whereas those in the Southern Hemisphere are dominated by a wave number 1 structure and are much larger than those in the Northern Hemisphere. The patterns around December solstice (DS) in the Northern Hemisphere (winter) are different from other seasons, whereas the patterns in the Southern Hemisphere are similar in each season. Around March equinox (ME), June solstice (JS), and September equinox (SE) in the Northern Hemisphere and around ME, SE, and DS in the Southern Hemisphere, the longitudinal variations of topside Ne have similar patterns to hmF2. Around JS in the Southern Hemisphere (winter), the topside Ne has similar patterns to NmF2 and hmF2 does not change much with longitude. Thus, the topside variations may be explained intuitively in terms of hmF2 and NmF2. This approach works reasonably well in most of the situations except in the northern winter in the topside not too far from the F2 peak. In this sense, understanding variations in hmF2 and NmF2 becomes an important and relevant subject for this topside ionospheric study.

  11. Probing the 5 f electrons in Am-I by hybrid density functional theory

    NASA Astrophysics Data System (ADS)

    Atta-Fynn, Raymond; Ray, Asok K.

    2009-11-01

    The ground states of the actinides and their compounds continue to be matters of considerable controversies. Experimentally, Americium-I (Am-I) is a non-magnetic dhcp metal whereas theoretically an anti-ferromagnetic ground state is predicted. We show that hybrid density functional theory, which admixes a fraction, λ, of exact Hartree-Fock (HF) exchange with approximate DFT exchange, can correctly reproduce the ground state properties of Am. In particular, for λ=0.40, we obtain a non-magnetic ground state with equilibrium atomic volume, bulk modulus, 5 f electron population, and the density of electronic states all in good agreement with experimental data. We argue that the exact HF exchange corrects the overestimation of the approximate DFT exchange interaction.

  12. Simultaneous observations of F2 layer stratification and spread F at postmidnight over a northern equatorial anomaly region

    NASA Astrophysics Data System (ADS)

    Jiang, Chunhua; Yang, Guobin; Deng, Chi; Zhou, Chen; Zhu, Peng; Yokoyama, Tatsuhiro; Song, Huan; Lan, Ting; Ni, Binbin; Zhao, Zhengyu; Zhang, Yuannong

    2015-12-01

    Simultaneous observations of F2 layer stratification and spread F at postmidnight (00:00 LT to 05:00 LT) were carried out on 22, 23, and 28 November 2013, using ionosondes distributed over a northern equatorial anomaly region at three specific locations, i.e., Puer (PUR, 22.7°N, 101.05°E, dip latitude 12.9°N), Chiang Mai (CMU, 18.8°N, 98.9°E, dip latitude 9.04°N), and Chumphon (CPN, 10.7°N, 99.4°E, dip latitude 0.93°N). The results show that both the PUR and CMU stations observed the F2 layer stratification at postmidnight in the Northern Hemisphere, frequently accompanied with gravity waves (the periods~30-100 min). It is reported that F2 layer stratification at postmidnight can be observed in the Northern Hemisphere for the first time. It is suggested that the thermospheric neutral wind triggered by gravity waves strongly contribute to the altitude dependence of the combined vertical plasma velocity, which consequently poses significant impacts on the occurrence of the low-latitude F2 layer stratification at postmidnight. In addition, the spread F other than F2 layer stratification was observed at the CPN station located at the geomagnetic equator, suggesting that smaller geomagnetic inclination tend to inhibit the postmidnight F2 layer stratification in the equatorial region. Furthermore, on 23 November 2013 a good correlation was identified between the F2 layer stratification at PUR and the spread F at both CMU and CPN, possibly due to that the large-scale gravity waves originating at middle latitudes contribute to the nighttime spread F observed in the low-latitude and equatorial regions.

  13. Formation and investigation of ultrathin layers of Co2FeSi ferromagnetic alloy synthesized on silicon covered with a CaF2 barrier layer

    NASA Astrophysics Data System (ADS)

    Grebenyuk, G. S.; Gomoyunova, M. V.; Pronin, I. I.; Vyalikh, D. V.; Molodtsov, S. L.

    2016-03-01

    Ultrathin (∼2 nm) films of Co2FeSi ferromagnetic alloy were formed on silicon by solid-phase epitaxy and studied in situ. Experiments were carried out in an ultrahigh vacuum (UHV) using substrates of Si(1 1 1) single crystals covered with a 5 nm thick CaF2 barrier layer. The elemental and phase composition as well as the magnetic properties of the synthesized films were analyzed by photoelectron spectroscopy using synchrotron radiation and by magnetic linear dichroism in photoemission of Fe 3p and Co 3p electrons. The study shows that the synthesis of the Co2FeSi ferromagnetic alloy occurs in the temperature range of 200-400 °C. At higher temperatures, the films become island-like and lose their ferromagnetic properties, as the CaF2 barrier layer is unable to prevent a mass transfer between the film and the Si substrate, which violates the stoichiometry of the alloy.

  14. Clock distribution for BaF2 readout electronics at CSNS-WNS

    NASA Astrophysics Data System (ADS)

    He, Bing; Cao, Ping; Zhang, De-Liang; Wang, Qi; Zhang, Ya-Xi; Qi, Xin-Cheng; An, Qi

    2017-01-01

    A BaF2 (Barium Fluoride) detector array is designed to precisely measure the (n, γ) cross section at the CSNS-WNS (white neutron source at China Spallation Neutron Source). It is a 4π solid angle-shaped detector array consisting of 92 BaF2 crystal elements. To discriminate signals from the BaF2 detector, a pulse shape discrimination method is used, supported by a waveform digitization technique. There are 92 channels for digitizing. The precision and synchronization of clock distribution restricts the performance of waveform digitizing. In this paper, a clock prototype for the BaF2 readout electronics at CSNS-WNS is introduced. It is based on the PXIe platform and has a twin-stage tree topology. In the first stage, clock is synchronously distributed from the tree root to each PXIe crate through a coaxial cable over a long distance, while in the second stage, the clock is further distributed to each electronic module through a PXIe dedicated differential star bus. With the help of this topology, each tree node can fan out up to 20 clocks with 3U size. Test results show the clock jitter is less than 20 ps, which meets the requirements of the BaF2 readout electronics. Besides, this clock system has the advantages of high density, simplicity, scalability and cost saving, so it can be useful for other clock distribution applications. Supported by National Research and Development plan (2016 YFA0401602) NSAF (U1530111) and National Natural Science Foundation of China (11005107)

  15. Characterizing the electronic ground states of single-layer NbSe2 via STM/STS

    NASA Astrophysics Data System (ADS)

    Chen, Yi; Ugeda, Miguel; Bradley, Aaron; Zhang, Yi; Onishi, Seita; Ruan, Wei; Ojeda-Aristizabal, Claudia; Ryu, Hyejin; Edmonds, Mark; Tsai, Hsin-Zon; Riss, Alexander; Mo, Sung-Kwan; Lee, Dunghai; Zettl, Alex; Hussain, Zahid; Shen, Zhi-Xun; Crommie, Michael

    Layered transition metal dichalcogenides (TMDs) are ideal systems for exploring collective electronic phases such as charge density wave (CDW) order and superconductivity. In bulk NbSe2 the CDW sets in at TCDW = 33K and superconductivity sets in at Tc = 7.2K. Below Tc these electronic states coexist but their microscopic formation mechanisms remain controversial. Here we present an electronic characterization study of a single 2D layer of NbSe2 by means of low temperature scanning tunneling microscopy/spectroscopy (STM/STS), angle-resolved photoemission spectroscopy (ARPES), and electrical transport measurements. We demonstrate that the CDW order remains intact in 2D and exhibits a robust 3 x 3 superlattice. Superconductivity also still occurs but its onset is depressed to 1.6K. Our STS measurements at 5K reveal a CDW gap of Δ = 4 meV at the Fermi energy, which is accessible via STS due to the removal of bands crossing the Fermi surface in the 2D limit. Our observations are consistent with the predicted simplified (compared to bulk) electronic structure of single-layer NbSe2, thus providing new insight into CDW formation and superconductivity in this model strongly-correlated system.

  16. A relativistic density functional study of the role of 5f electrons in atomic and molecular adsorptions on actinide surfaces

    NASA Astrophysics Data System (ADS)

    Huda, Muhammad Nurul

    Atomic and molecular adsorptions of oxygen and hydrogen on actinide surfaces have been studied within the generalized gradient approximations to density functional theory (GGA-DFT). The primary goal of this work is to understand the details of the adsorption processes, such as chemisorption sites, energies, adsorption configurations and activation energies for dissociation of molecules; and the signature role of the plutonium 5f electrons. The localization of the 5f electrons remains one of central questions in actinides and one objective here is to understand the extent to which localizations plays a role in adsorption on actinide surfaces. We also investigated the magnetism of the plutonium surfaces, given the fact that magnetism in bulk plutonium is a highly controversial issue, and the surface magnetism of it is not a well explored territory. Both the non-spin-polarized and spin-polarized calculations have been performed to arrive at our conclusions. We have studied both the atomic and molecular hydrogen and oxygen adsorptions on plutonium (100) and (111) surfaces. We have also investigated the oxygen molecule adsorptions on uranium (100) surface. Comparing the adsorption on uranium and plutonium (100) surfaces, we have seen that O2 chemisorption energy for the most favorable adsorption site on uranium surface has higher chemisorption energy, 9.492 eV, than the corresponding plutonium site, 8.787 eV. Also degree of localization of 5f electrons is less for uranium surface. In almost all of the cases, the most favorable adsorption sites are found where the coordination numbers are higher. For example, we found center sites are the most favorable sites for atomic adsorptions. In general oxygen reacts more strongly with plutonium surface than hydrogen. We found that atomic oxygen adsorption energy on (100) surface is 3.613 eV more than that of the hydrogen adsorptions, considering only the most favorable site. This is also true for molecular adsorptions, as the

  17. Highly Efficient Inverted Perovskite Solar Cells with CdSe QDs/LiF Electron Transporting Layer

    NASA Astrophysics Data System (ADS)

    Tan, Furui; Xu, Weizhe; Hu, Xiaodong; Yu, Ping; Zhang, Weifeng

    2017-12-01

    Organic/inorganic hybrid perovskite solar cell has emerged as a very promising candidate for the next generation of near-commercial photovoltaic devices. Here in this work, we focus on the inverted perovskite solar cells and have found that remarkable photovoltaic performance could be obtained when using cadmium selenide (CdSe) quantum dots (QDs) as electron transporting layer (ETL) and lithium fluoride (LiF) as the buffer, with respect to the traditionally applied and high-cost [6,6]-phenyl-C61-butyric acid methyl ester (PCBM). The easily processed and low-cost CdSe QDs/LiF double layer could facilitate convenient electron-transfer and collection at the perovskite/cathode interface, promoting an optoelectric conversion efficiency of as high as 15.1%, very close to that with the traditional PCBM ETL. Our work provides another promising choice on the ETL materials for the highly efficient and low-cost perovskite solar cells.

  18. Evaluation of AlGaN/GaN high electron mobility transistors grown on ZrTi buffer layers with sapphire substrates

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ren, Fan; Pearton, Stephen J.; Ahn, Shihyun

    Here, AlGaN/GaN high electron mobility transistors (HEMTs) have been grown on sapphire substrates, using ZrTi buffer layers to provide in-plane lattice-matching to hexagonal GaN. X-ray diffraction (XRD) as well as cross-section transmission electron microscopy (TEM) were used to assess the quality of the HEMT structure. The XRD 2θ scans showed full-width-at-half-maximum values of 0.16°, 0.07°, and 0.08° for ZrTi alloy, GaN buffer layer, and the entire HEMT structure, respectively. TEM studies of the GaN buffer layer and the AlN/ZrTi/AlN stack showed the importance of growing thin AlN buffer layers on the ZrTi layer prior to growth of the GaN buffermore » layer. The density of threading dislocations in the GaN channel layer of the HEMT structure was estimated to be in the 10 8 cm –2 range. The HEMT device exhibited a saturation drain current density of 820 mA/mm, and the channel of the fabricated HEMTs could be well modulated. A cutoff frequency (f T) of 8.9 GHz and a maximum frequency of oscillation (f max) of 17.3 GHz were achieved for HEMTs with gate dimensions of 1 × 200 μm.« less

  19. Evaluation of AlGaN/GaN high electron mobility transistors grown on ZrTi buffer layers with sapphire substrates

    DOE PAGES

    Ren, Fan; Pearton, Stephen J.; Ahn, Shihyun; ...

    2016-09-21

    Here, AlGaN/GaN high electron mobility transistors (HEMTs) have been grown on sapphire substrates, using ZrTi buffer layers to provide in-plane lattice-matching to hexagonal GaN. X-ray diffraction (XRD) as well as cross-section transmission electron microscopy (TEM) were used to assess the quality of the HEMT structure. The XRD 2θ scans showed full-width-at-half-maximum values of 0.16°, 0.07°, and 0.08° for ZrTi alloy, GaN buffer layer, and the entire HEMT structure, respectively. TEM studies of the GaN buffer layer and the AlN/ZrTi/AlN stack showed the importance of growing thin AlN buffer layers on the ZrTi layer prior to growth of the GaN buffermore » layer. The density of threading dislocations in the GaN channel layer of the HEMT structure was estimated to be in the 10 8 cm –2 range. The HEMT device exhibited a saturation drain current density of 820 mA/mm, and the channel of the fabricated HEMTs could be well modulated. A cutoff frequency (f T) of 8.9 GHz and a maximum frequency of oscillation (f max) of 17.3 GHz were achieved for HEMTs with gate dimensions of 1 × 200 μm.« less

  20. Variations in Ionospheric Peak Electron Density During Sudden Stratospheric Warmings in the Arctic Region

    NASA Astrophysics Data System (ADS)

    Yasyukevich, A. S.

    2018-04-01

    The focus of the paper is the ionospheric disturbances during sudden stratospheric warming (SSW) events in the Arctic region. This study examines the ionospheric behavior during 12 SSW events, which occurred in the Northern Hemisphere over 2006-2013, based on vertical sounding data from DPS-4 ionosonde located in Norilsk (88.0°E, 69.2°N). Most of the addressed events show that despite generally quiet geomagnetic conditions, notable changes in the ionospheric behavior are observed during SSWs. During the SSW evolution and peak phases, there is a daytime decrease in NmF2 values at 10-20% relative to background level. After the SSW maxima, in contrast, midday NmF2 surpasses the average monthly values for 10-20 days. These changes in the electron density are observed for both strong and weak stratospheric warmings occurring at midwinter. The revealed SSW effects in the polar ionosphere are assumed to be associated with changes in the thermospheric neutral composition, affecting the F2-layer electron density. Analysis of the Global Ultraviolet Imager data revealed the positive variations in the O/N2 ratio within the thermosphere during SSW peak and recovery periods. Probable mechanisms for SSW impact on the state of the high-latitude neutral thermosphere and ionosphere are discussed.

  1. Low-frequency electronic noise in single-layer MoS2 transistors.

    PubMed

    Sangwan, Vinod K; Arnold, Heather N; Jariwala, Deep; Marks, Tobin J; Lauhon, Lincoln J; Hersam, Mark C

    2013-09-11

    Ubiquitous low-frequency 1/f noise can be a limiting factor in the performance and application of nanoscale devices. Here, we quantitatively investigate low-frequency electronic noise in single-layer transition metal dichalcogenide MoS2 field-effect transistors. The measured 1/f noise can be explained by an empirical formulation of mobility fluctuations with the Hooge parameter ranging between 0.005 and 2.0 in vacuum (<10(-5) Torr). The field-effect mobility decreased, and the noise amplitude increased by an order of magnitude in ambient conditions, revealing the significant influence of atmospheric adsorbates on charge transport. In addition, single Lorentzian generation-recombination noise was observed to increase by an order of magnitude as the devices were cooled from 300 to 6.5 K.

  2. Detection of F-region electron density irregularities using incoherent-scatter radar

    NASA Astrophysics Data System (ADS)

    Gudivada, Krishna Prasad

    Incoherent-scatter radar data from Poker Flat, Alaska has been used to determine size distributions of electron density structures in the evening time sector of the auroral zone. At high latitudes ionospheric plasma typically moves east-west with speeds of several hundred meters per second. Density irregularities that rapidly move through the radar beam are therefore observed as time-varying power fluctuations. The new phased array radar used for this study has been operated with several antenna directions with successive pulses transmitted in each direction. It is therefore possible to observe plasma Doppler velocities in multiple directions and determine the vector direction of the plasma motion. This near-simultaneous observation of the plasma velocity in conjunction with the electron density height profile data enable a new technique to determine the scale sizes of electron density fluctuations that move horizontally through the radar beam. The study focuses on the collision-less F-region ionosphere where the plasma drift is approximately constant with altitude. The experimental technique limits the range of scale sizes that may be studied to relatively large-scale sizes (i.e. greater than few tens of km). Results show that during magnetically disturbed conditions (Kp ≥ 4) when westward plasma velocities are relatively high (500-1000 m/s) the scale sizes of irregularities (often called plasma blobs) are in the range of 100-300 km and predominantly originate from the polar cap and are transported over long distances (˜1000 km) due to the long chemical recombination times (30-90 minutes). Some irregularities are caused by local auroral particle precipitation and have been identified with associated electron temperature enhancements. For cases of low magnetic activity (Kp ≤ 1), when the radar is located in a region of low plasma velocities (100-500 m/s) well south of the auroral oval (essentially a mid-latitude type ionosphere), the density distribution is

  3. Diurnal evolution of the F region electron density local time gradient at low and middle latitudes resolved by the Swarm constellation

    NASA Astrophysics Data System (ADS)

    Xiong, Chao; Zhou, Yun-Liang; Lühr, Hermann; Ma, Shu-Ying

    2016-09-01

    In this study we have provided new insights into the local time gradient of F region electron density (ΔNe) derived from the lower pair of Swarm satellites flying side by side. Our result shows that the electron density (Ne) increase starts just at sunrise, around 06:00 LT, simultaneously at low and middle latitudes due to the increased photoionization. At equatorial latitudes the increase in electron density gets even steeper after 07:00 LT, and the steepest increase of electron density (about 3 · 1010 m-3 within 6 min) occurs around 09:00 LT. We suggest that the upward vertical plasma drift in connection with the buildup of the equatorial fountain effect plays a major role. We also found that the local time variations of the equatorial ionization anomaly (EIA) crest electron density during daytime are similar to the respective evolutions at the equator, but about 1-2 h delayed. We relate this delay to the response time between the equatorial electric field and the buildup of the plasma fountain. At equinox months a fast decrease of the F region electron density is seen at the EIA trough region during the prereversal enhancement, while an increase is found meanwhile at crest regions. Afterward, a fast decrease of the EIA crest electron density occurs between 19:00 and 23:00 LT, with seasonal dependence. The local time gradient between Swarm A and C shows also prominent longitudinal wave-4 pattern around August months, and the phase of DE3 in ΔNe is found to be delayed by 6 h compared to that in Ne.

  4. Evidence for a π-junction in Nb/F/Nb' trilayers from superfluid density measurements

    NASA Astrophysics Data System (ADS)

    Lemberger, Thomas; Hinton, Michael; Steers, Stanley; Peters, Bryan; Yang, Fengyuan

    Two-coil measurements of the sheet superfluid density of Nb/NiV/Nb' trilayers reveal the transition temperatures and volume superfluid densities of both Nb layers, as functions of the thickness, dF, of the intervening ferromagnetic (F) Ni0.96V0.04 layer. The upper transition occurs when the thicker Nb layer goes superconducting and superfluid first appears. Fitting the high-temperature superfluid density to an appropriate functional form reveals the presence of a lower ``transition'' where additional superfluid appears. This event is really a crossover, but the difference is irrelevant here. There is a surprising minimum in superfluid densities of both Nb layers at dF ~ 30 Å, followed by a slow rise. This behavior suggests that a π phase difference between the Nb layers develops at dF ~ 30 Å and continues to larger F thickness. Supported in part by NSF Grant DMR-0805227.

  5. Large-Area Atomic Layers of the Charge-Density-Wave Conductor TiSe2.

    PubMed

    Wang, Hong; Chen, Yu; Duchamp, Martial; Zeng, Qingsheng; Wang, Xuewen; Tsang, Siu Hon; Li, Hongling; Jing, Lin; Yu, Ting; Teo, Edwin Hang Tong; Liu, Zheng

    2018-02-01

    Layered transition metal (Ti, Ta, Nb, etc.) dichalcogenides are important prototypes for the study of the collective charge density wave (CDW). Reducing the system dimensionality is expected to lead to novel properties, as exemplified by the discovery of enhanced CDW order in ultrathin TiSe 2 . However, the syntheses of monolayer and large-area 2D CDW conductors can currently only be achieved by molecular beam epitaxy under ultrahigh vacuum. This study reports the growth of monolayer crystals and up to 5 × 10 5 µm 2 large films of the typical 2D CDW conductor-TiSe 2 -by ambient-pressure chemical vapor deposition. Atomic resolution scanning transmission electron microscopy indicates the as-grown samples are highly crystalline 1T-phase TiSe 2 . Variable-temperature Raman spectroscopy shows a CDW phase transition temperature of 212.5 K in few layer TiSe 2 , indicative of high crystal quality. This work not only allows the exploration of many-body state of TiSe 2 in 2D limit but also offers the possibility of utilizing large-area TiSe 2 in ultrathin electronic devices. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. A global view of F-region electron density and temperature at solar maximum

    NASA Technical Reports Server (NTRS)

    Brace, L. H.; Theis, R. F.; Hoegy, W. R.

    1982-01-01

    It is pointed out that the thermal structure of the ionosphere represents a quasi-static balance between a variety of heat sources and sinks which vary spatially and temporally on a wide range of time scales. The present investigation has the objective to present selected early results from the Dynamics Explorer-2 (DE-2) Langmuir probe instrument and to make an initial evaluation of how the thermal structure of the ionosphere at solar maximum differs from that observed at solar minimum. Bowen et al. (1964) and Brace and Reddy (1965) devised early empirical models of the F region electron temperature (Te), based on satellite Langmuir probe measurements at low levels of solar activity. The global structure of Te and the electron density (Ne) obtained in the current investigation is not very different from that reported by Brace and Reddy. The primary difference at solar maximum is that Ne is everywhere much higher, but Te differs only in detail.

  7. Ba2F2Fe(1.5)Se3: An Intergrowth Compound Containing Iron Selenide Layers.

    PubMed

    Driss, Dalel; Janod, Etienne; Corraze, Benoit; Guillot-Deudon, Catherine; Cario, Laurent

    2016-03-21

    The iron selenide compound Ba2F2Fe(1.5)Se3 was synthesized by a high-temperature ceramic method. The single-crystal X-ray structure determination revealed a layered-like structure built on [Ba2F2](2+) layers of the fluorite type and iron selenide layers [Fe(1.5)Se3](2-). These [Fe1.5Se3](2-) layers contain iron in two valence states, namely, Fe(II+) and Fe(III+) located in octahedral and tetrahedral sites, respectively. Magnetic measurements are consistent with a high-spin state for Fe(II+) and an intermediate-spin state for Fe(III+). Moreover, susceptibility and resistivity measurements demonstrate that Ba2F2Fe(1.5)Se3 is an antiferromagnetic insulator.

  8. Few-layered MnO2/SWCNT hybrid in-plane supercapacitor with high energy density

    NASA Astrophysics Data System (ADS)

    Dutta, Shibsankar; Pal, Shreyasi; De, Sukanta

    2018-05-01

    In this present work we have synthesized few layered MnO2 nanosheets by mixed solvent exfoliation process for the application as electrode material of in-plane supercapacitor. The Structure and surface morphology of the as prepared samples are characterized by Raman, Transmission electron microscopy and Scanning electron microscopy. The patterns of the hybrids were directly fabricated by (50: 50 wt %) mixture of MnO2 and SWCNT dispersions with the help of a customized mask, and directly transferred onto a flexible PET substrate. Remarkably, the prepared in-plane supercapacitors deliver high energy density of 2.62mWh/cm2. Furthermore, our supercapacitors shows exceptional flexibility and stable performance under bending conditions

  9. Density functional theory for d- and f-electron materials and compounds

    DOE PAGES

    Mattson, Ann E.; Wills, John M.

    2016-02-12

    Here, the fundamental requirements for a computationally tractable Density Functional Theory-based method for relativistic f- and (nonrelativistic) d-electron materials and compounds are presented. The need for basing the Kohn–Sham equations on the Dirac equation is discussed. The full Dirac scheme needs exchange-correlation functionals in terms of four-currents, but ordinary functionals, using charge density and spin-magnetization, can be used in an approximate Dirac treatment. The construction of a functional that includes the additional confinement physics needed for these materials is illustrated using the subsystem-functional scheme. If future studies show that a full Dirac, four-current based, exchange-correlation functional is needed, the subsystemmore » functional scheme is one of the few schemes that can still be used for constructing functional approximations.« less

  10. F2 layer characteristics and electrojet strength over an equatorial station

    NASA Astrophysics Data System (ADS)

    Adebesin, B. O.; Adeniyi, J. O.; Adimula, I. A.; Reinisch, B. W.; Yumoto, K.

    2013-09-01

    The data presented in this work describes the diurnal and seasonal variation in hmF2, NmF2, and the electrojet current strength over an African equatorial station during a period of low solar activity. The F2 region horizontal magnetic element H revealed that the Solar quiet Sq(H) daily variation rises from early morning period to maximum around local noon and falls to lower values towards evening. The F2 ionospheric current responsible for the magnetic field variations is inferred to build up at the early morning hours, attaining maximum strength around 1200 LT. The Sq variation across the entire months was higher during the daytime than nighttime. This is ascribed to the variability of the ionospheric parameters like conductivity and winds structure in this region. Seasonal daytime electrojet (EEJ) current strength for June solstice, March and September equinoxes, respectively had peak values ranging within 27-35 nT (at 1400 LT) , 30-40 nT (at 1200 LT) and 35-45 nT (at 1500 LT). The different peak periods of the EEJ strength were attributed to the combined effects of the peak electron density and electric field. Lastly, the EEJ strength was observed to be higher during the equinoxes than the solstice period.

  11. Intermittent electron density and temperature fluctuations and associated fluxes in the Alcator C-Mod scrape-off layer

    NASA Astrophysics Data System (ADS)

    Kube, R.; Garcia, O. E.; Theodorsen, A.; Brunner, D.; Kuang, A. Q.; LaBombard, B.; Terry, J. L.

    2018-06-01

    The Alcator C-Mod mirror Langmuir probe system has been used to sample data time series of fluctuating plasma parameters in the outboard mid-plane far scrape-off layer. We present a statistical analysis of one second long time series of electron density, temperature, radial electric drift velocity and the corresponding particle and electron heat fluxes. These are sampled during stationary plasma conditions in an ohmically heated, lower single null diverted discharge. The electron density and temperature are strongly correlated and feature fluctuation statistics similar to the ion saturation current. Both electron density and temperature time series are dominated by intermittent, large-amplitude burst with an exponential distribution of both burst amplitudes and waiting times between them. The characteristic time scale of the large-amplitude bursts is approximately 15 μ {{s}}. Large-amplitude velocity fluctuations feature a slightly faster characteristic time scale and appear at a faster rate than electron density and temperature fluctuations. Describing these time series as a superposition of uncorrelated exponential pulses, we find that probability distribution functions, power spectral densities as well as auto-correlation functions of the data time series agree well with predictions from the stochastic model. The electron particle and heat fluxes present large-amplitude fluctuations. For this low-density plasma, the radial electron heat flux is dominated by convection, that is, correlations of fluctuations in the electron density and radial velocity. Hot and dense blobs contribute only a minute fraction of the total fluctuation driven heat flux.

  12. Contrast and Raman spectroscopy study of single- and few-layered charge density wave material: 2H-TaSe2

    PubMed Central

    Hajiyev, Parviz; Cong, Chunxiao; Qiu, Caiyu; Yu, Ting

    2013-01-01

    In this article, we report the first successful preparation of single- and few-layers of tantalum diselenide (2H-TaSe2) by mechanical exfoliation technique. Number of layers is confirmed by white light contrast spectroscopy and atomic force microscopy (AFM). Vibrational properties of the atomically thin layers of 2H-TaSe2 are characterized by micro-Raman spectroscopy. Room temperature Raman measurements demonstrate MoS2-like spectral features, which are reliable for thickness determination. E1g mode, usually forbidden in backscattering Raman configuration is observed in the supported TaSe2 layers while disappears in the suspended layers, suggesting that this mode may be enabled because of the symmetry breaking induced by the interaction with the substrate. A systematic in-situ low temperature Raman study, for the first time, reveals the existence of incommensurate charge density wave phase transition in single and double-layered 2H-TaSe2 as reflected by a sudden softening of the second-order broad Raman mode resulted from the strong electron-phonon coupling (Kohn anomaly). PMID:24005335

  13. Structural, electronic and vibrational properties of few-layer 2H-and 1T-TaSe 2

    DOE PAGES

    Yan, Jia -An; Dela Cruz, Mack A.; Cook, Brandon G.; ...

    2015-11-16

    Two-dimensional metallic transition metal dichalcogenides (TMDs) are of interest for studying phenomena such as charge-density wave (CDW) and superconductivity. Few-layer tantalum diselenides (TaSe 2) are typical metallic TMDs exhibiting rich CDW phase transitions. However, a description of the structural, electronic and vibrational properties for different crystal phases and stacking configurations, essential for interpretation of experiments, is lacking. We present first principles calculations of structural phase energetics, band dispersion near the Fermi level, phonon properties and vibrational modes at the Brillouin zone center for different layer numbers, crystal phases and stacking geometries. Evolution of the Fermi surfaces as well as themore » phonon dispersions as a function of layer number reveals dramatic dimensionality effects in this CDW material. Lastly, our results indicate strong electronic interlayer coupling, detail energetically possible stacking geometries, and provide a basis for interpretation of Raman spectra.« less

  14. Few-layer molybdenum disulfide transistors and circuits for high-speed flexible electronics.

    PubMed

    Cheng, Rui; Jiang, Shan; Chen, Yu; Liu, Yuan; Weiss, Nathan; Cheng, Hung-Chieh; Wu, Hao; Huang, Yu; Duan, Xiangfeng

    2014-10-08

    Two-dimensional layered materials, such as molybdenum disulfide, are emerging as an exciting material system for future electronics due to their unique electronic properties and atomically thin geometry. Here we report a systematic investigation of MoS2 transistors with optimized contact and device geometry, to achieve self-aligned devices with performance including an intrinsic gain over 30, an intrinsic cut-off frequency fT up to 42 GHz and a maximum oscillation frequency fMAX up to 50 GHz, exceeding the reported values for MoS2 transistors to date (fT~0.9 GHz, fMAX~1 GHz). Our results show that logic inverters or radio frequency amplifiers can be formed by integrating multiple MoS2 transistors on quartz or flexible substrates with voltage gain in the gigahertz regime. This study demonstrates the potential of two-dimensional layered semiconductors for high-speed flexible electronics.

  15. Few-layer molybdenum disulfide transistors and circuits for high-speed flexible electronics

    PubMed Central

    Cheng, Rui; Jiang, Shan; Chen, Yu; Liu, Yuan; Weiss, Nathan; Cheng, Hung-Chieh; Wu, Hao; Huang, Yu; Duan, Xiangfeng

    2014-01-01

    Two-dimensional layered materials, such as molybdenum disulfide, are emerging as an exciting material system for future electronics due to their unique electronic properties and atomically thin geometry. Here we report a systematic investigation of MoS2 transistors with optimized contact and device geometry, to achieve self-aligned devices with performance including an intrinsic gain over 30, an intrinsic cut-off frequency fT up to 42 GHz and a maximum oscillation frequency fMAX up to 50 GHz, exceeding the reported values for MoS2 transistors to date (fT ~ 0.9 GHz, fMAX ~ 1 GHz). Our results show that logic inverters or radio frequency amplifiers can be formed by integrating multiple MoS2 transistors on quartz or flexible substrates with voltage gain in the gigahertz regime. This study demonstrates the potential of two-dimensional layered semiconductors for high-speed flexible electronics. PMID:25295573

  16. Charge density wave transition in single-layer titanium diselenide

    DOE PAGES

    Chen, P.; Chan, Y. -H.; Fang, X. -Y.; ...

    2015-11-16

    A single molecular layer of titanium diselenide (TiSe 2) is a promising material for advanced electronics beyond graphene--a strong focus of current research. Such molecular layers are at the quantum limit of device miniaturization and can show enhanced electronic effects not realizable in thick films. We show that single-layer TiSe 2 exhibits a charge density wave (CDW) transition at critical temperature T C=232±5 K, which is higher than the bulk T C=200±5 K. Angle-resolved photoemission spectroscopy measurements reveal a small absolute bandgap at room temperature, which grows wider with decreasing temperature T below T C in conjunction with the emergencemore » of (2 × 2) ordering. The results are rationalized in terms of first-principles calculations, symmetry breaking and phonon entropy effects. The behavior of the Bardeen-Cooper-Schrieffer (BCS) gap implies a mean-field CDW order in the single layer and an anisotropic CDW order in the bulk.« less

  17. Electron density extrapolation above F2 peak by the linear Vary-Chap model supporting new Global Navigation Satellite Systems-LEO occultation missions

    NASA Astrophysics Data System (ADS)

    Hernández-Pajares, Manuel; Garcia-Fernández, Miquel; Rius, Antonio; Notarpietro, Riccardo; von Engeln, Axel; Olivares-Pulido, Germán.; Aragón-Àngel, Àngela; García-Rigo, Alberto

    2017-08-01

    The new radio-occultation (RO) instrument on board the future EUMETSAT Polar System-Second Generation (EPS-SG) satellites, flying at a height of 820 km, is primarily focusing on neutral atmospheric profiling. It will also provide an opportunity for RO ionospheric sounding, but only below impact heights of 500 km, in order to guarantee a full data gathering of the neutral part. This will leave a gap of 320 km, which impedes the application of the direct inversion techniques to retrieve the electron density profile. To overcome this challenge, we have looked for new ways (accurate and simple) of extrapolating the electron density (also applicable to other low-Earth orbiting, LEO, missions like CHAMP): a new Vary-Chap Extrapolation Technique (VCET). VCET is based on the scale height behavior, linearly dependent on the altitude above hmF2. This allows extrapolating the electron density profile for impact heights above its peak height (this is the case for EPS-SG), up to the satellite orbital height. VCET has been assessed with more than 3700 complete electron density profiles obtained in four representative scenarios of the Constellation Observing System for Meteorology, Ionosphere, and Climate (COSMIC) in the United States and the Formosa Satellite Mission 3 (FORMOSAT-3) in Taiwan, in solar maximum and minimum conditions, and geomagnetically disturbed conditions, by applying an updated Improved Abel Transform Inversion technique to dual-frequency GPS measurements. It is shown that VCET performs much better than other classical Chapman models, with 60% of occultations showing relative extrapolation errors below 20%, in contrast with conventional Chapman model extrapolation approaches with 10% or less of the profiles with relative error below 20%.

  18. Spin polarized and density modulated phases in symmetric electron-electron and electron-hole bilayers.

    PubMed

    Kumar, Krishan; Moudgil, R K

    2012-10-17

    We have studied symmetric electron-electron and electron-hole bilayers to explore the stable homogeneous spin phase and the feasibility of inhomogeneous charge-/spin-density ground states. The former is resolved by comparing the ground-state energies in states of different spin polarizations, while the latter is resolved by searching for a divergence in the wavevector-dependent static charge/spin susceptibility. For this endeavour, we have used the dielectric approach within the self-consistent mean-field theory of Singwi et al. We find that the inter-layer interactions tend to change an abrupt spin-polarization transition of an isolated layer into a nearly gradual one, even though the partially spin-polarized phases are not clearly stable within the accuracy of our calculation. The transition density is seen to decrease with a reduction in layer spacing, implying a suppression of spin polarization by inter-layer interactions. Indeed, the suppression shows up distinctly in the spin susceptibility computed from the spin-polarization dependence of the ground-state energy. However, below a critical layer spacing, the unpolarized liquid becomes unstable against a charge-density-wave (CDW) ground state at a density preceding full spin polarization, with the transition density for the CDW state increasing on further reduction in the layer spacing. Due to attractive e-h correlations, the CDW state is found to be more pronounced in the e-h bilayer. On the other hand, the static spin susceptibility diverges only in the long-wavelength limit, which simply represents a transition to the homogeneous spin-polarized phase.

  19. Simulated East-west differences in F-region peak electron density at Far East mid-latitude region

    NASA Astrophysics Data System (ADS)

    Ren, Zhipeng; Zhao, Biqiang; Wan, Weixing; Liu, Libo

    2017-04-01

    In the present work, using Three-Dimensional Theoretical Ionospheric Model of the Earth in Institute of Geology and Geophysics, Chinese Academy of Sciences (TIME3D-IGGCAS), we simulated the east-west differences in Fregion peak electron density (NmF2) at Far East mid-latitude region.We found that, after removing the longitudinal variations of neutral parameters, TIME3D-IGGCAS can better represent the observed relative east-west difference (Rew) features. Rew is mainly negative (West NmF2 > East NmF2) at noon and positive (East NmF2 >West NmF2) at evening-night. The magnitude of daytime negative Rew is weak at local winter and strong at local summer, and the daytime Rew show two negative peaks around two equinoxes. With the increasing of solar flux level, the magnitude of Rew mainly become larger, and two daytime negative peaks slight shifts to June Solstice. With the decreasing of geographical latitude, Rew mainly become positive, and two daytime negative peaks slight shifts to June Solstice. Our simulation also suggested that the thermospheric zonal wind combined with the geomagnetic field configuration play a pivotal role in the formation of the ionospheric east-west differences at Far East midlatitude region.

  20. Simulated East-west differences in F-region peak electron density at Far East mid-latitude region

    NASA Astrophysics Data System (ADS)

    Ren, Z.; Wan, W.

    2017-12-01

    In the present work, using Three-Dimensional Theoretical Ionospheric Model of the Earth in Institute of Geology and Geophysics, Chinese Academy of Sciences (TIME3D-IGGCAS), we simulated the east-west differences in Fregion peak electron density (NmF2) at Far East mid-latitude region.We found that, after removing the longitudinal variations of neutral parameters, TIME3D-IGGCAS can better represent the observed relative east-west difference (Rew) features. Rew is mainly negative (West NmF2 > East NmF2) at noon and positive (East NmF2 >West NmF2) at evening-night. The magnitude of daytime negative Rew is weak at local winter and strong at local summer, and the daytime Rew show two negative peaks around two equinoxes. With the increasing of solar flux level, the magnitude of Rew mainly become larger, and two daytime negative peaks slight shifts to June Solstice. With the decreasing of geographical latitude, Rew mainly become positive, and two daytime negative peaks slight shifts to June Solstice. Our simulation also suggested that the thermospheric zonal wind combined with the geomagnetic field configuration play a pivotal role in the formation of the ionospheric east-west differences at Far East midlatitude region.

  1. Abnormal distribution of low-latitude ionospheric electron density during November 2004 superstorm as reconstructed by 3-D CT technique from IGS and LEO/GPS observations

    NASA Astrophysics Data System (ADS)

    Xiao, R.; Ma, S.; Xu, J.; Xiong, C.; Yan, W.; Luhr, H.; Jakowski, N.

    2010-12-01

    Using time-dependent 3-D tomography method, the electron density distributions in the mid- and low-latitude ionosphere are reconstructed from GPS observations of joint ground-based IGS network and onboard CHAMP/GRACE satellites during November 2004 super-storm. For LEO satellite-based GPS receiving, both the occultation TEC data and that along the radio propagation paths above the LEO are used. The electron density images versus latitude/altitude/longitude are reconstructed for different sectors of America/Asia/Europe and produced every hour. The reconstructed electron densities are validated by satellite in situ measurements of CHAMP Langmuir probe and GRACE Ka-band SST (low-low satellite-to-satellite tracking) derived electron density averaged between the two satellites, as well as by CIT simulations. It reveals some very interesting storm-time structures of Ne distributions, such as top-hat-like F2-3 double layer and column-like enhanced electron densities (CEED). The double layer structure appeared over a large latitude range from about -30 degree to 20 degree along East-Asian/Australia longitudes before local noon, looking like one additional smaller EIA structure standing above the usual one of EIA. It is consistent with the F-3 layer observed by ionosonde at an Australian low-latitude station. The CEED are found just 1-2 hours before the minimum of Dst and in the longitudinal sector about 157 E. They extend from the topside ionosphere toward plasmasphere, reaching at least about 2000 km as high. Their footprints stand on the two peaks of the EIA. This CEED is also seen in the image of 30.4 nm He ++ radiation by IMAGE, showing a narrow channel of enhanced density extending from afternoon ionosphere to plasmsphere westward. The forming mechanism of CEED and its relationship with SED and plasmaspheric plumes are worthy of further study. Acknowledgement: This work is supported by NSFC (No.40674078).

  2. Single-layer MoS2 electronics.

    PubMed

    Lembke, Dominik; Bertolazzi, Simone; Kis, Andras

    2015-01-20

    CONSPECTUS: Atomic crystals of two-dimensional materials consisting of single sheets extracted from layered materials are gaining increasing attention. The most well-known material from this group is graphene, a single layer of graphite that can be extracted from the bulk material or grown on a suitable substrate. Its discovery has given rise to intense research effort culminating in the 2010 Nobel Prize in physics awarded to Andre Geim and Konstantin Novoselov. Graphene however represents only the proverbial tip of the iceberg, and increasing attention of researchers is now turning towards the veritable zoo of so-called "other 2D materials". They have properties complementary to graphene, which in its pristine form lacks a bandgap: MoS2, for example, is a semiconductor, while NbSe2 is a superconductor. They could hold the key to important practical applications and new scientific discoveries in the two-dimensional limit. This family of materials has been studied since the 1960s, but most of the research focused on their tribological applications: MoS2 is best known today as a high-performance dry lubricant for ultrahigh-vacuum applications and in car engines. The realization that single layers of MoS2 and related materials could also be used in functional electronic devices where they could offer advantages compared with silicon or graphene created a renewed interest in these materials. MoS2 is currently gaining the most attention because the material is easily available in the form of a mineral, molybdenite, but other 2D transition metal dichalcogenide (TMD) semiconductors are expected to have qualitatively similar properties. In this Account, we describe recent progress in the area of single-layer MoS2-based devices for electronic circuits. We will start with MoS2 transistors, which showed for the first time that devices based on MoS2 and related TMDs could have electrical properties on the same level as other, more established semiconducting materials. This

  3. A statistical study on the F2 layer vertical variation during nighttime medium-scale traveling ionospheric disturbances

    NASA Astrophysics Data System (ADS)

    Ssessanga, Nicholas; Kim, Yong Ha; Jeong, Se-Heon

    2017-03-01

    A statistical study on the relationship between the perturbation component (ΔTEC (total electron content)) and the F2 layer peak height (hmF2) during nighttime medium-scale traveling ionospheric disturbances is presented. The results are obtained by using a time-dependent computerized ionospheric tomography (CIT) technique. This was realized by using slant total electron content observations from a dense Global Positioning System receiver network over Japan (with more than 1000 receivers), together with a multiplicative algebraic reconstruction technique. Reconstructions from CIT were validated by using ionosonde and occultation measurements. A total of 36 different time snapshots of the ionosphere when medium-scale traveling ionospheric disturbances (MSTIDs) were eminent were analyzed. These were obtained from a data set covering years from 2011 to 2014. The reconstructed surface wavefronts of ΔTEC and hmF2 structure were found to be aligned along the northwest-southeast direction. These results confirm that nighttime MSTIDs are driven by electrodynamic forces related to Perkins instability which explains the northwest-southeast wavefront alignment based on the F region electrodynamics. Furthermore, from the statistical analysis hmF2 varied quasiperiodically in altitude with dominant peak-to-peak amplitudes between 10 and 40 km. In addition, ΔTEC and hmF2 were 60% anticorrelated.

  4. Highly efficient organic electroluminescent diodes realized by efficient charge balance with optimized electron and hole transport layers

    NASA Astrophysics Data System (ADS)

    Khan, M. A.; Xu, Wei; Wei, Fuxiang; Bai, Yu; Jiang, X. Y.; Zhang, Z. L.; Zhu, W. Q.

    2007-11-01

    Highly efficient organic electroluminescent devices (OLEDs) were developed based on 4,7-diphenyl-1, 10-phenanthroline (BPhen) as the electron transport layer (ETL), tris-(8-hydroxyquinoline) aluminum (Alq 3) as the emission layer (EML) and N,Ń-bis-[1-naphthy(-N,Ńdiphenyl-1,1'-biphenyl-4,4'-diamine)] (NPB) as the hole transport layer (HTL). The typical device structure was glass substrate/ ITO/ NPB/ Alq 3/ BPhen/ LiF/ Al. Since BPhen possesses a considerable high electron mobility of 5×10 -4 cm 2 V -1 s -1, devices with BPhen as ETL can realize an extremely high luminous efficiency. By optimizing the thickness of both HTL and ETL, we obtained a highly efficient OLED with a current efficiency of 6.80 cd/A and luminance of 1361 cd/m 2 at a current density of 20 mA/cm 2. This dramatic improvement in the current efficiency has been explained on the principle of charge balance.

  5. Electron Density Profiles of the Topside Ionosphere

    NASA Technical Reports Server (NTRS)

    Huang, Xue-Qin; Reinsch, Bodo W.; Bilitza, Dieter; Benson, Robert F.

    2002-01-01

    The existing uncertainties about the electron density profiles in the topside ionosphere, i.e., in the height region from h,F2 to - 2000 km, require the search for new data sources. The ISIS and Alouette topside sounder satellites from the sixties to the eighties recorded millions of ionograms but most were not analyzed in terms of electron density profiles. In recent years an effort started to digitize the analog recordings to prepare the ionograms for computerized analysis. As of November 2001 about 350000 ionograms have been digitized from the original 7-track analog tapes. These data are available in binary and CDF format from the anonymous ftp site of the National Space Science Data Center. A search site and browse capabilities on CDAWeb assist the scientific usage of these data. All information and access links can be found at http://nssdc.gsfc.nasa.gov/space/isis/isis- status.htm1. This paper describes the ISIS data restoration effort and shows how the digital ionograms are automatically processed into electron density profiles from satellite orbit altitude (1400 km for ISIS-2) down to the F peak. Because of the large volume of data an automated processing algorithm is imperative. The TOPside Ionogram Scaler with True height algorithm TOPIST software developed for this task is successfully scaling - 70% of the ionograms. An <> is available to manually scale the more difficult ionograms. The automated processing of the digitized ISIS ionograms is now underway, producing a much-needed database of topside electron density profiles for ionospheric modeling covering more than one solar cycle.

  6. Local ionospheric electron density reconstruction from simultaneous ground-based GNSS and ionosonde measurements

    NASA Astrophysics Data System (ADS)

    Stankov, S. M.; Warnant, R.; Stegen, K.

    2009-04-01

    The purpose of the LIEDR (Local Ionospheric Electron Density Reconstruction) system is to acquire and process data from simultaneous ground-based GNSS TEC and digital ionosonde measurements, and subsequently to deduce the vertical electron density distribution in the local ionosphere. LIEDR is primarily designed to operate in real time for service applications, and, if sufficient data from solar and geomagnetic observations are available, to provide short-term forecast as well. For research applications and further development of the system, a post-processing mode of operation is also envisaged. In essence, the reconstruction procedure consists in the following. The high-precision ionosonde measurements are used for directly obtaining the bottom part of the electron density profile. The ionospheric profiler for the lower side (i.e. below the density peak height, hmF2) is based on the Epstein layer functions using the known values of the critical frequencies, foF2 and foE, and the propagation factor, M3000F2. The corresponding bottom-side part of the total electron content is calculated from this profile and is then subtracted from the GPS TEC value in order to obtain the unknown portion of the TEC in the upper side (i.e. above the hmF2). Ionosonde data, together with the simultaneously-measured TEC and empirically obtained O+/H+ ion transition level values, are all required for the determination of the topside electron density scale height. The topside electron density is considered as a sum of the constituent oxygen and hydrogen ion densities with unknown vertical scale heights. The latter are calculated by solving a system of transcendental equations that arise from the incorporation of a suitable ionospheric profiler (Chapman, Epstein, or Exponential) into formulae describing ionospheric conditions (plasma quasi-neutrality, ion transition level). Once the topside scale heights are determined, the construction of the vertical electron density distribution in the

  7. Magnetospheric convection and the high-latitude F2 ionosphere

    NASA Technical Reports Server (NTRS)

    Knudsen, W. C.

    1974-01-01

    Behavior of the polar ionospheric F layer as it is convected through the cleft, over the polar cap, and through the nightside F layer trough zone is investigated. Passage through the cleft adds approximately 200,000 ions per cu cm in the vicinity of the F2 peak and redistributes the ionization above approximately 400-km altitude to conform with an increased electron temperature. The redistribution of ionization above 400-km altitude forms the 'averaged' plasma ring seen at 1000-km altitude. The F layer is also raised by approximately 20 km in altitude by the convection electric field. The time required for passage across the polar cap (25 deg) is about the same as that required for the F layer peak concentration to decay by e. The F layer response to passage through the nightside soft electron precipitation zone should be similar to but less than its response to passage through the cleft.

  8. Influence of magnesium fluoride (MgF2) layer on a conventional surface plasmon resonance sensor

    NASA Astrophysics Data System (ADS)

    Mohapatra, Saswat; Moirangthem, Rakesh S.

    2018-05-01

    In this work, a numerical study of Surface Plasmon Resonance (SPR) sensor has been done by using Magnesium Fluoride (MgF2) layer on a conventional Kretschmann configuration. The prism was coated with smooth gold thin film of thickness 50 nm followed by MgF2 layer. To obtain the maximum reflection dips in the SPR modes, the thickness of MgF2 layer is optimized by varying it from 200-800 nm. Our calculations also reveal that SPR modes corresponding to gold-MgF2 layer are very sensitive to the changes in the surrounding medium as compared to the traditional SPR device. The sensing performance of the proposed nano-plasmonic sensor is theoretically calculated using bulk refractive index sensing. Such bilayer device (gold-MgF2) is expected to take an important role on the field of chemical and biological sensing.

  9. Emergence of charge density waves and a pseudogap in single-layer TiTe 2

    DOE PAGES

    Chen, P.; Pai, Woei Wu; Chan, Y. -H.; ...

    2017-09-11

    Two-dimensional materials constitute a promising platform for developing nanoscale devices and systems. Their physical properties can be very different from those of the corresponding three-dimensional materials because of extreme quantum confinement and dimensional reduction. Here in this paper we report a study of TiTe 2 from the single-layer to the bulk limit. Using angle-resolved photoemission spectroscopy and scanning tunneling microscopy and spectroscopy, we observed the emergence of a (2 × 2) charge density wave order in single-layer TiTe 2 with a transition temperature of 92 ± 3 K. Also observed was a pseudogap of about 28 meV at the Fermimore » level at 4.2 K. Surprisingly, no charge density wave transitions were observed in two-layer and multi-layer TiTe 2 , despite the quasi-two-dimensional nature of the material in the bulk. The unique charge density wave phenomenon in the single layer raises intriguing questions that challenge the prevailing thinking about the mechanisms of charge density wave formation.« less

  10. Anion exchange of the cationic layered material [Pb2F2]2+.

    PubMed

    Fei, Honghan; Pham, Catherine H; Oliver, Scott R J

    2012-07-04

    We demonstrate the complete exchange of the interlamellar anions of a 2-D cationic inorganic material. The α,ω-alkanedisulfonates were exchanged for α,ω-alkanedicarboxylates, leading to two new cationic materials with the same [Pb(2)F(2)](2+) layered architecture. Both were solved by single crystal X-ray diffraction and the transformation also followed by in situ optical microscopy and ex situ powder X-ray diffraction. This report represents a rare example of metal-organic framework displaying highly efficient and complete replacement of its anionic organic linker while retaining the original extended inorganic layer. It also opens up further possibilities for introducing other anions or abatement of problematic anions such as pharmaceuticals and their metabolites.

  11. Atomic layer deposition of boron-containing films using B{sub 2}F{sub 4}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mane, Anil U., E-mail: amane@anl.gov; Elam, Jeffrey W.; Goldberg, Alexander

    2016-01-15

    Ultrathin and conformal boron-containing atomic layer deposition (ALD) films could be used as a shallow dopant source for advanced transistor structures in microelectronics manufacturing. With this application in mind, diboron tetrafluoride (B{sub 2}F{sub 4}) was explored as an ALD precursor for the deposition of boron containing films. Density functional theory simulations for nucleation on silicon (100) surfaces indicated better reactivity of B{sub 2}F{sub 4} in comparison to BF{sub 3}. Quartz crystal microbalance experiments exhibited growth using either B{sub 2}F{sub 4}-H{sub 2}O for B{sub 2}O{sub 3} ALD, or B{sub 2}F{sub 4}-disilane (Si{sub 2}H{sub 6}) for B ALD, but in both cases,more » the initial growth per cycle was quite low (≤0.2 Å/cycle) and decreased to near zero growth after 8–30 ALD cycles. However, alternating between B{sub 2}F{sub 4}-H{sub 2}O and trimethyl aluminum (TMA)-H{sub 2}O ALD cycles resulted in sustained growth at ∼0.65 Å/cycle, suggesting that the dense –OH surface termination produced by the TMA-H{sub 2}O combination enhances the uptake of B{sub 2}F{sub 4} precursor. The resultant boron containing films were analyzed for composition by x-ray photoelectron spectroscopy, and capacitance measurements indicated an insulating characteristic. Finally, diffused boron profiles less than 100 Å were obtained after rapid thermal anneal of the boron containing ALD film.« less

  12. Ionic liquid gating on atomic layer deposition passivated GaN: Ultra-high electron density induced high drain current and low contact resistance

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhou, Hong; Du, Yuchen; Ye, Peide D., E-mail: yep@purdue.edu

    2016-05-16

    Herein, we report on achieving ultra-high electron density (exceeding 10{sup 14 }cm{sup −2}) in a GaN bulk material device by ionic liquid gating, through the application of atomic layer deposition (ALD) of Al{sub 2}O{sub 3} to passivate the GaN surface. Output characteristics demonstrate a maximum drain current of 1.47 A/mm, the highest reported among all bulk GaN field-effect transistors, with an on/off ratio of 10{sup 5} at room temperature. An ultra-high electron density exceeding 10{sup 14 }cm{sup −2} accumulated at the surface is confirmed via Hall-effect measurement and transfer length measurement. In addition to the ultra-high electron density, we also observe a reductionmore » of the contact resistance due to the narrowing of the Schottky barrier width on the contacts. Taking advantage of the ALD surface passivation and ionic liquid gating technique, this work provides a route to study the field-effect and carrier transport properties of conventional semiconductors in unprecedented ultra-high charge density regions.« less

  13. [Research on electron density in DC needle-plate corona discharge at atmospheric pressure].

    PubMed

    Liu, Zhi-Qiang; Guo, Wei; Liu, Tao-Tao; Wu, Wen-Shuo; Liu, Shu-Min

    2013-11-01

    Using needle-plate discharge device, corona discharge experiment was done in the atmosphere. Through photo of spot size of light-emitting area, the relationship between the voltage and thickness of corona layer was discussed. When the distance between tip and plate is fixed, the thickness of corona layer increases with the increase in voltage; when the voltage is fixed, the thickness of corona layer decreases with the increase in the distance between tip and plate. As spectral intensity of N2 (C3pi(u)) (337.1 nm)reflects high energy electron density, it was measured with emission spectrometry. The results show that high energy electron density is the biggest near the needle tip and the relationship between high energy electron density and voltage is basically linear increasing. Fixing voltage, high energy electron density decreases with the increase in the distance between tip and plate. When the voltage and the distance between tip and plate are fixed, the high energy electron density increases with the decrease in the curvature radius of needle tip. These results are of great importance for the study of plasma parameters of corona discharge.

  14. Formation Mechanisms of the Spring-Autumn Asymmetry of the Midlatitudinal NmF2 under Daytime Quiet Geomagnetic Conditions at Low Solar Activity

    NASA Astrophysics Data System (ADS)

    Pavlov, A. V.; Pavlova, N. M.

    2018-05-01

    Formation mechanism of the spring-autumn asymmetry of the F2-layer peak electron number density of the midlatitudinal ionosphere, NmF2, under daytime quiet geomagnetic conditions at low solar activity are studied. We used the ionospheric parameters measured by the ionosonde and incoherent scatter radar at Millstone Hill on March 3, 2007, March 29, 2007, September 12, 2007, and September 18, 1984. The altitudinal profiles of the electron density and temperature were calculated for the studied conditions using a one-dimensional, nonstationary, ionosphere-plasmasphere theoretical model for middle geomagnetic latitudes. The study has shown that there are two main factors contributing to the formation of the observed spring-autumn asymmetry of NmF2: first, the spring-autumn variations of the plasma drift along the geomagnetic field due to the corresponding variations in the components of the neutral wind velocity, and, second, the difference between the composition of the neutral atmosphere under the spring and autumn conditions at the same values of the universal time and the ionospheric F2-layer peak altitude. The seasonal variations of the rate of O+(4S) ion production, which are associated with chemical reactions with the participation of the electronically excited ions of atomic oxygen, does not significantly affect the studied NmF2 asymmetry. The difference in the degree of influence of O+(4S) ion reactions with vibrationally excited N2 and O2 on NmF2 under spring and autumn conditions does not significantly change the spring-autumn asymmetry of NmF2.

  15. Emergence of charge density waves and a pseudogap in single-layer TiTe2.

    PubMed

    Chen, P; Pai, Woei Wu; Chan, Y-H; Takayama, A; Xu, C-Z; Karn, A; Hasegawa, S; Chou, M Y; Mo, S-K; Fedorov, A-V; Chiang, T-C

    2017-09-11

    Two-dimensional materials constitute a promising platform for developing nanoscale devices and systems. Their physical properties can be very different from those of the corresponding three-dimensional materials because of extreme quantum confinement and dimensional reduction. Here we report a study of TiTe 2 from the single-layer to the bulk limit. Using angle-resolved photoemission spectroscopy and scanning tunneling microscopy and spectroscopy, we observed the emergence of a (2 × 2) charge density wave order in single-layer TiTe 2 with a transition temperature of 92 ± 3 K. Also observed was a pseudogap of about 28 meV at the Fermi level at 4.2 K. Surprisingly, no charge density wave transitions were observed in two-layer and multi-layer TiTe 2 , despite the quasi-two-dimensional nature of the material in the bulk. The unique charge density wave phenomenon in the single layer raises intriguing questions that challenge the prevailing thinking about the mechanisms of charge density wave formation.Due to reduced dimensionality, the properties of 2D materials are often different from their 3D counterparts. Here, the authors identify the emergence of a unique charge density wave (CDW) order in monolayer TiTe 2 that challenges the current understanding of CDW formation.

  16. Accurate identification of layer number for few-layer WS2 and WSe2 via spectroscopic study.

    PubMed

    Li, Yuanzheng; Li, Xinshu; Yu, Tong; Yang, Guochun; Chen, Heyu; Zhang, Cen; Feng, Qiushi; Ma, Jiangang; Liu, Weizhen; Xu, Haiyang; Liu, Yichun; Liu, Xinfeng

    2018-03-23

    Transition metal dichalcogenides (TMDs) with a typical layered structure are highly sensitive to their layer number in optical and electronic properties. Seeking a simple and effective method for layer number identification is very important to low-dimensional TMD samples. Herein, a rapid and accurate layer number identification of few-layer WS 2 and WSe 2 is proposed via locking their photoluminescence (PL) peak-positions. As the layer number of WS 2 /WSe 2 increases, it is found that indirect transition emission is more thickness-sensitive than direct transition emission, and the PL peak-position differences between the indirect and direct transitions can be regarded as fingerprints to identify their layer number. Theoretical calculation confirms that the notable thickness-sensitivity of indirect transition derives from the variations of electron density of states of W atom d-orbitals and chalcogen atom p-orbitals. Besides, the PL peak-position differences between the indirect and direct transitions are almost independent of different insulating substrates. This work not only proposes a new method for layer number identification via PL studies, but also provides a valuable insight into the thickness-dependent optical and electronic properties of W-based TMDs.

  17. Electron correlation contribution to the physisorption of CO on MgF2(110).

    PubMed

    Hammerschmidt, Lukas; Müller, Carsten; Paulus, Beate

    2012-03-28

    We have performed CCSD(T), MP2, and DF-LMP2 calculations of the interaction energy of CO on the MgF(2)(110) surface by applying the method of increments and an embedded cluster model. In addition, we performed periodic HF, B3LYP, and DF-LMP2 calculations and compare them to the cluster results. The incremental CCSD(T) calculations predict an interaction energy of E(int) = -0.37 eV with a C-down orientation of CO above a Mg(2+) ion at the surface with a basis set of VTZ quality. We find that electron correlation constitutes about 50% of the binding energy and a detailed evaluation of the increments shows that the largest contribution to the correlation energy originates from the CO interaction with the closest F ions on the second layer.

  18. Features of Electron Density Distribution in Delafossite Cualo2

    NASA Astrophysics Data System (ADS)

    Pogoreltsev, A. I.; Schmidt, S. V.; Gavrilenko, A. N.; Shulgin, D. A.; Korzun, B. V.; Matukhin, V. L.

    2015-07-01

    We have used pulsed 63,65Cu nuclear quadrupole resonance at room temperature to study the semiconductor compound CuAlO2 with a delafossite crystal structure, and we have determined the quadrupole frequency νQ = 28.12 MHz and the asymmetry parameter η ~ 0, which we used to study the features of the electron density distribution in the vicinity of the quadrupolar nucleus. In order to take into account the influence of correlation effects on the electric field gradient, we carried out ab initio calculations within the density functional theory (DFT) approximation using a set of correlation functionals VWN1RPA, VWN5, PW91LDA, CPW91, and B3LYP1. We mapped the electron density distribution in the vicinity of the quadrupolar copper nucleus for the Cu7Al6o{14/- 1} cluster and we calculated the size of the LUMO-HOMO gap, Δ ~ 3.33 eV. We established the anisotropy of the spatial electron density distribution. Based on analysis of the electron density distribution obtained, we suggest that the bond in CuAlO2 is not purely covalent.

  19. LPE growth of crack-free PbSe layers on Si(100) using MBE-Grown PbSe/BaF2CaF2 buffer layers

    NASA Astrophysics Data System (ADS)

    Strecker, B. N.; McCann, P. J.; Fang, X. M.; Hauenstein, R. J.; O'Steen, M.; Johnson, M. B.

    1997-05-01

    Crack-free PbSe on (100)-oriented Si has been obtained by a combination of liquid phase epitaxy (LPE) and molecular beam epitaxy (MBE) techniques. MBE is employed first to grow a PbSe/BaF2/CaF2 buffer structure on the (100)-oriented Si. A 2.5 μm thick PbSe layer is then grown by LPE. The LPE-grown PbSe displays excellent surface morphology and is continuous over the entire 8×8 mm2 area of growth. This result is surprising because of the large mismatch in thermal expansion coefficients between PbSe and Si. Previous attempts to grow crack-free PbSe by MBE alone using similar buffer structures on (100)-oriented Si have been unsuccessful. It is speculated that the large concentration of Se vacancies in the LPE-grown PbSe layer may allow dislocation climb along higher order slip planes, providing strain relaxation.

  20. A global scale picture of ionospheric peak electron density changes during geomagnetic storms

    NASA Astrophysics Data System (ADS)

    Kumar, Vickal V.; Parkinson, Murray L.

    2017-04-01

    Changes in ionospheric plasma densities can affect society more than ever because of our increasing reliance on communication, surveillance, navigation, and timing technology. Models struggle to predict changes in ionospheric densities at nearly all temporal and spatial scales, especially during geomagnetic storms. Here we combine a 50 year (1965-2015) geomagnetic disturbance storm time (Dst) index with plasma density measurements from a worldwide network of 132 vertical incidence ionosondes to develop a picture of global scale changes in peak plasma density due to geomagnetic storms. Vertical incidence ionosondes provide measurements of the critical frequency of the ionospheric F2 layer (foF2), a direct measure of the peak electron density (NmF2) of the ionosphere. By dissecting the NmF2 perturbations with respect to the local time at storm onset, season, and storm intensity, it is found that (i) the storm-associated depletions (negative storm effects) and enhancements (positive storm effects) are driven by different but related physical mechanisms, and (ii) the depletion mechanism tends to dominate over the enhancement mechanism. The negative storm effects, which are detrimental to HF radio links, are found to start immediately after geomagnetic storm onset in the nightside high-latitude ionosphere. The depletions in the dayside high-latitude ionosphere are delayed by a few hours. The equatorward expansion of negative storm effects is found to be regulated by storm intensity (farthest equatorward and deepest during intense storms), season (largest in summer), and time of day (generally deeper on the nightside). In contrast, positive storm effects typically occur on the dayside midlatitude and low-latitude ionospheric regions when the storms are in the main phase, regardless of the season. Closer to the magnetic equator, moderate density enhancements last up to 40 h during the recovery phase of equinox storms, regardless of the local time. Strikingly, high

  1. Anisotropic layered Bi2Te3-In2Te3 composites: control of interface density for tuning of thermoelectric properties

    PubMed Central

    Liu, Dongmei; Li, Xinzhong; Borlido, Pedro Miguel de Castro; Botti, Silvana; Schmechel, Roland; Rettenmayr, Markus

    2017-01-01

    Layered (Bi1−xInx)2Te3-In2Te3 (x = 0.075) composites of pronounced anisotropy in structure and thermoelectric properties were produced by zone melting and subsequent coherent precipitation of In2Te3 from a (Bi1−xInx)2Te3 (x > 0.075) matrix. Employing solid state phase transformation, the Bi2Te3/In2Te3 interface density was tuned by modifying the driving force for In2Te3 precipitation. The structure-property relationship in this strongly anisotropic material is characterized thoroughly and systematically for the first time. Unexpectedly, with increasing Bi2Te3/In2Te3 interface density, an increase in electrical conductivity and a decrease in the absolute Seebeck coefficient were found. This is likely to be due to electron accumulation layers at the Bi2Te3/In2Te3 interfaces and the interplay of bipolar transport in Bi2Te3. Significantly improved thermoelectric properties of Bi2Te3-In2Te3 composites as compared to the single phase (Bi1−xInx)2Te3 solid solution are obtained. PMID:28272541

  2. Charge density wave order in 1D mirror twin boundaries of single-layer MoSe 2

    DOE PAGES

    Barja, Sara; Wickenburg, Sebastian; Liu, Zhen-Fei; ...

    2016-04-18

    Here, We provide direct evidence for the existence of isolated, one-dimensional charge density waves at mirror twin boundaries (MTBs) of single-layer semiconducting MoSe 2. Such MTBs have been previously observed by transmission electron microscopy and have been predicted to be metallic in MoSe 2 and MoS 2. Our low-temperature scanning tunnelling microscopy/spectroscopy measurements revealed a substantial bandgap of 100 meV opening at the Fermi energy in the otherwise metallic one-dimensional structures. We found a periodic modulation in the density of states along the MTB, with a wavelength of approximately three lattice constants. In addition to mapping the energy-dependent densitymore » of states, we determined the atomic structure and bonding of the MTB through simultaneous high-resolution non-contact atomic force microscopy. Density functional theory calculations based on the observed structure reproduced both the gap opening and the spatially resolved density of states.« less

  3. Comparison of incoherent scatter radar observations of SIMPLEX electron density depletion with SAMI2 and SAMI3 model results

    NASA Astrophysics Data System (ADS)

    Bhatt, A.; Huba, J. D.; Bernhardt, P. A.; Erickson, P. J.

    2010-12-01

    The Space Shuttle's Orbital Maneuvering System (OMS) engines have been used for active ionospheric modification experiments employing ground based ionospheric radars as diagnostic tools. These experiments initiated by the Naval Research Laboratory in 1995 have been scheduled as the Shuttle Ionospheric Modification with Pulsed Localized Exhaust or SIMPLEX through the US Dept. of Defense's Space Test Program. During 2009, two SIMPLEX experiments with the shuttles STS-119 and STS-128 were viewed by the Millstone Hill 440 MHz radar in Westford, MA operated by the MIT Haystack Observatory. The objectives of these experiments were to observe local ion-acoustic turbulence and the ionospheric density irregularities created by the exhaust injection across the magnetic field that present a Bragg scattering target for the radar. The exhaust also creates a depletion in the background electron density at F-region altitudes that persists for a relatively long time and is readily detected by an incoherent scatter radar. The OMS engine burns release 10 kg/s of H2O, CO2, H2, and N2 molecules that charge exchange with ambient O+ ions at the F region heights, producing molecular ions and the electron density depletion due to the recombination with the ambient electrons. 2009 was a year of deep solar minimum that saw the background electron density values 19% lower than were expected during a solar minimum. (Emmert et al., GRL, 2010). We believe that the long recovery time from density depletion in SIMPLEX experiments of 2009 may have a root in the unique nature of the deep solar minimum. The density whole production and recovery will be modeled using NRL SAMI2 and SAMI3 model and the results will be discussed along with the observations using the incoherent scatter radar.

  4. Dissociative electron attachment to C{sub 2}F{sub 5} radicals

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Haughey, Sean A.; Field, Thomas A.; Langer, Judith

    Dissociative electron attachment to the reactive C{sub 2}F{sub 5} molecular radical has been investigated with two complimentary experimental methods; a single collision beam experiment and a new flowing afterglow Langmuir probe technique. The beam results show that F{sup -} is formed close to zero electron energy in dissociative electron attachment to C{sub 2}F{sub 5}. The afterglow measurements also show that F{sup -} is formed in collisions between electrons and C{sub 2}F{sub 5} molecules with rate constants of 3.7 Multiplication-Sign 10{sup -9} cm{sup 3} s{sup -1} to 4.7 Multiplication-Sign 10{sup -9} cm{sup 3} s{sup -1} at temperatures of 300-600 K. Themore » rate constant increases slowly with increasing temperature, but the rise observed is smaller than the experimental uncertainty of 35%.« less

  5. Electronic Properties of Suspended Few-Layer Graphene Membranes

    NASA Astrophysics Data System (ADS)

    Myhro, Kevin Scott

    Graphene, the two-dimensional (2D) honeycomb lattice of sp2-hybrized carbon atoms, has emerged as a "wonder" material with unique properties, such as its linear energy dispersion with massless Dirac fermions, so-called half-integer quantum Hall (QH) effect, unparalleled tensile strength, and high optical transparency and thermal conductivity. Its few-layer counterparts have similar mechanical but remarkably different electrical properties, including layer- and stacking-dependent band structures, massive charge carriers, and energy gaps that may arise from single particle effect as well as electronic interactions. This dissertation reports my six year study of dual-gated suspended few-layer graphene (FLG) field effect transistor (FET) devices. In particular, we focus on their electronic transport properties at low temperature as a function of out-of-plane electric field E⊥ and interlayer potential U⊥, charge carrier density n, temperature T, and out-of-plane (B ⊥) and parallel (B∥) magnetic fields. A number of broken symmetry states in the absence and presence of external fields are observed in rhombohedral-stacked bilayer- (BLG), trilayer- (r-TLG), and tetralayer graphene (r-4LG). We also study the morphological deformation of suspended graphene membranes under electrostatic and thermal manipulation, which is relevant for analyzing low temperature transport data. In particular, in BLG, r-TLG and r-4LG, we observe intrinsic insulating states in the absence of external fields, with energy gaps of 2, 40, and 80 meV, respectively. We attribute this increasing gap size with number of layers N to enhanced electronic-interactions near the charge neutrality point, due to the layer-dependent energy dispersions kN in r-FLG, which give rise to increasingly diverging density of states and interaction strength with increasing N, at least up to four layers. Our observations of the spontaneous insulating state in r-FLG are consistent with a layer antiferromagnetic state

  6. Occurrence of the dayside three-peak density structure in the F2 and the topside ionosphere

    NASA Astrophysics Data System (ADS)

    Astafyeva, Elvira; Zakharenkova, Irina; Pineau, Yann

    2016-07-01

    In this work, we discuss the occurrence of the dayside three-peak electron density structure in the ionosphere. We first use a set of ground-based and satellite-borne instruments to demonstrate the development of a large-amplitude electron density perturbation at the recovery phase of a moderate storm of 11 October 2008. The perturbation developed in the F2 and low topside ionospheric regions over the American sector; it was concentrated on the north from the equatorial ionization anomaly (EIA) but was clearly separated from it. At the F2 region height, the amplitude of the observed perturbation was comparable or even exceeded that of the EIA. Further analysis of the observational data together with the Coupled Thermosphere Ionosphere Plasmasphere Electrodynamics model simulation results showed that a particular local combination of the thermospheric wind surges provided favorable conditions for the generation of the three-peak EIA structure. We further proceed with a statistical study of occurrence of the three-peak density structure in the ionosphere in general. Based on the analysis of 7 years of the in situ data from CHAMP satellite, we found that such three-peak density structure occurs sufficiently often during geomagnetically quiet time. The third ionization peak develops in the afternoon hours in the summer hemisphere at solstice periods. Based on analysis of several quiet time events, we conclude that during geomagnetically quiet time, the prevailing summer-to-winter thermospheric circulation acts in similar manner as the storm-time enhanced thermospheric winds, playing the decisive role in generation of the third ionization peak in the daytime ionosphere.

  7. Investigation of the Electron Density Variation During the 21 August 2017 Solar Eclipse

    NASA Astrophysics Data System (ADS)

    Reinisch, B. W.; Dandenault, P. B.; Galkin, I. A.; Hamel, R.; Richards, P. G.

    2018-02-01

    This paper presents a comparison of modeled and measured electron densities for the 21 August 2017 solar eclipse across the USA. The location of the instrument was (43.81°N, 247.32°E) where the maximum obscuration of 99.6% occurred at 17.53 hr UT on 21 August. The solar apparent time was 9.96 hr, and the duration of the eclipse was 2.7 hr. It was found that if it is assumed that there are no chromosphere emissions at totality, 30% coronal emission remaining at totality gave the best fit to the electron density variation at 150 km. The 30% coronal emission estimate has uncertainties associated with respect to uncertainties in the solar spectrum, the measured electron density, and the amount of chromosphere emissions remaining at totality. The agreement between the modeled and measured electron densities is excellent at 150 km with the assumed 30% coronal emission at totality. At other altitudes, the agreement is very good, but the altitude profile would be improved if the model peak electron density (NmF2) decayed more slowly to better match the data. The minimum NmF2 in the model occurs 10 min after totality when it decreases to 0.55 from its noneclipse value. The minimum of the NmF2 data occurs between 6 and 10 min after totality but is 15% larger. The total electron content decreases to 0.65 of its preeclipse value. These relative changes agree well with those predicted by others prior to the eclipse.

  8. Effect of vertically oriented few-layer graphene on the wettability and interfacial reactions of the AgCuTi-SiO2f/SiO2 system.

    PubMed

    Sun, Z; Zhang, L X; Qi, J L; Zhang, Z H; Hao, T D; Feng, J C

    2017-03-22

    With the aim of expanding their applications, particularly when joining metals, a simple but effective method is reported whereby the surface chemical reactivity of SiO 2f /SiO 2 (SiO 2f /SiO 2 stands for silica fibre reinforced silica based composite materials and f is short for fibre) composites with vertically oriented few-layer graphene (VFG, 3-10 atomic layers of graphene vertically oriented to the substrate) can be tailored. VFG was uniformly grown on the surface of a SiO 2f /SiO 2 composite by using plasma enhanced chemical vapour deposition (PECVD). The wetting experiments were conducted by placing small pieces of AgCuTi alloy foil on SiO 2f /SiO 2 composites with and without VFG decoration. It was demonstrated that the contact angle dropped from 120° (without VFG decoration) to 50° (with VFG decoration) when the holding time was 10 min. The interfacial reaction layer in SiO 2f /SiO 2 composites with VFG decoration became continuous without any unfilled gaps compared with the composites without VFG decoration. High-resolution transmission electron microscopy (HRTEM) was employed to investigate the interaction between VFG and Ti from the AgCuTi alloy. The results showed that VFG possessed high chemical reactivity and could easily react with Ti even at room temperature. Finally, a mechanism of how VFG promoted the wetting of the SiO 2f /SiO 2 composite by the AgCuTi alloy is proposed and thoroughly discussed.

  9. Electron density and plasma dynamics of a spherical theta pinch

    NASA Astrophysics Data System (ADS)

    Teske, C.; Liu, Y.; Blaes, S.; Jacoby, J.

    2012-03-01

    A spherical theta pinch for plasma stripper applications has been developed and investigated regarding the electron density and the plasma confinement during the pinching sequence. The setup consists of a 6 μH induction coil surrounding a 4000 ml spherical discharge vessel and a capacitor bank with interchangeable capacitors leading to an overall capacitance of 34 μF and 50 μF, respectively. A thyristor switch is used for driving the resonant circuit. Pulsed coil currents reached values of up to 26 kA with maximum induction of 500 mT. Typical gas pressures were 0.7 Pa up to 120 Pa with ArH2 (2.8% H2)-gas as a discharge medium. Stark broadening measurements of the Hβ emission line were carried out in order to evaluate the electron density of the discharge. In accordance with the density measurements, the transfer efficiency was estimated and a scaling law between electron density and discharge energy was established for the current setup. The densities reached values of up to 8 × 1022 m-3 for an energy of 1.6 kJ transferred into the plasma. Further, the pinching of the discharge plasma was documented and the different stages of the pinching process were analyzed. The experimental evidence suggests that concerning the recent setup of the spherical theta pinch, a linear scaling law between the transferred energy and the achievable plasma density can be applied for various applications like plasma strippers and pulsed ion sources.

  10. Amorphous oxides as electron transport layers in Cu(In,Ga)Se 2 superstrate devices: Amorphous oxides in Cu(In,Ga)Se 2 superstrate devices

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Heinemann, M. D.; van Hest, M. F. A. M.; Contreras, M.

    Cu(In,Ga)Se2 (CIGS) solar cells in superstrate configuration promise improved light management and higher stability compared to substrate devices, but they have yet to deliver comparable power conversion efficiencies (PCEs). Chemical reactions between the CIGS layer and the front contact were shown in the past to deteriorate the p-n junction in superstrate devices, which led to lower efficiencies compared to the substrate-type devices. This work aims to solve this problem by identifying a buffer layer between the CIGS layer and the front contact, acting as the electron transport layer, with an optimized electron affinity, doping density and chemical stability. Using combinatorialmore » material exploration we identified amorphous gallium oxide (a-GaOx) as a potentially suitable buffer layer material. The best results were obtained for a-GaOx with an electron affinity that was found to be comparable to that of CIGS. Based on the results of device simulations, it is assumed that detrimental interfacial acceptor states are present at the interface between CIGS and a-GaOx. However, these initial experiments indicate the potential of a-GaOx in this application, and how to reach performance parity with substrate devices, by further increase of its n-type doping density.« less

  11. Gradient changes in structural condition of the B2 phase of NiTi surface layers after electron-beam treatments

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Meisner, Ludmila L., E-mail: llm@ispms.tsc.ru, E-mail: egu@ispms.tsc.ru; Gudimova, Ekaterina Yu., E-mail: llm@ispms.tsc.ru, E-mail: egu@ispms.tsc.ru; Ostapenko, Marina G., E-mail: artifact@ispms.tsc.ru

    2014-11-14

    Structural conditions of the B2 phase of the Ti{sub 49.5}Ni{sub 50.5} alloy surface layers before and after electron-beam treatments (pulse duration τ = 150 μs, number of pulses n = 5, beam energy density E ≤ 20 J/cm{sup 2}) were studied by X-ray diffraction analysis. Analysis of the X-ray patterns demonstrates that surface layers modified by electron beam treatment contain phase with B2{sup surf} structure. It is revealed that the lattice parameter of the B2{sup surf} phase in the surface (modified) layer is also higher than the lattice parameter of the B2 phase in the underlying layer (a{sub B2} = 3.0159±0.0005). Themore » values of lattice parameter of phase B2{sup surf} amounted a{sub B2}{sup surf} = 3.0316±0.0005 Å and a{sub B2}{sup surf} = 3.0252±0.0005 Å, for the specimens after electron-beam treatment at E{sub 1} = 15 J/cm{sup 2} and E{sub 2} = 20 J/cm{sup 2}, respectively. Inflated lattice parameters a{sub B2}{sup surf} are associated with changes in the chemical composition and the presence of residual stresses in the surface region of the samples after electron-beam treatments.« less

  12. Ultraviolet optical and microstructural properties of MgF2 and LaF3 coatings deposited by ion-beam sputtering and boat and electron-beam evaporation.

    PubMed

    Ristau, Detlev; Günster, Stefan; Bosch, Salvador; Duparré, Angela; Masetti, Enrico; Ferré-Borrull, Josep; Kiriakidis, George; Peiró, Francesca; Quesnel, Etienne; Tikhonravov, Alexander

    2002-06-01

    Single layers of MgF2 and LaF3 were deposited upon superpolished fused-silica and CaF2 substrates by ion-beam sputtering (IBS) as well as by boat and electron beam (e-beam) evaporation and were characterized by a variety of complementary analytical techniques. Besides undergoing photometric and ellipsometric inspection, the samples were investigated at 193 and 633 nm by an optical scatter measurement facility. The structural properties were assessed with atomic-force microscopy, x-ray diffraction, TEM techniques that involved conventional thinning methods for the layers. For measurement of mechanical stress in the coatings, special silicon substrates were coated and analyzed. The dispersion behavior of both deposition materials, which was determined on the basis of various independent photometric measurements and data reduction techniques, is in good agreement with that published in the literature and with the bulk properties of the materials. The refractive indices of the MgF2 coatings ranged from 1.415 to 1.440 for the wavelength of the ArF excimer laser (193 nm) and from 1.435 to 1.465 for the wavelength of the F2 excimer laser (157 nm). For single layers of LaF3 the refractive indices extended from 1.67 to 1.70 at 193 nm to approximately 1.80 at 157 nm. The IBS process achieves the best homogeneity and the lowest surface roughness values (close to 1 nm(rms)) of the processes compared in the joint experiment. In contrast to MgF2 boat and e-beam evaporated coatings, which exhibit tensile mechanical stress ranging from 300 to 400 MPa, IBS coatings exhibit high compressive stress of as much as 910 MPa. A similar tendency was found for coating stress in LaF3 single layers. Experimental results are discussed with respect to the microstructural and compositional properties as well as to the surface topography of the coatings.

  13. Ultraviolet optical and microstructural properties of MgF2 and LaF3 coatings deposited by ion-beam sputtering and boat and electron-beam evaporation

    NASA Astrophysics Data System (ADS)

    Ristau, Detlev; Gunster, Stefan; Bosch, Salvador; Duparre, Angela; Masetti, Enrico; Ferre-Borrull, Josep; Kiriakidis, George; Peiro, Francesca; Quesnel, Etienne; Tikhonravov, Alexander

    2002-06-01

    Single layers of MgF2 and LaF3 were deposited upon superpolished fused-silica and CaF2 substrates by ion-beam sputtering (IBS) as well as by boat and electron beam (e-beam) evaporation and were characterized by a variety of complementary analytical techniques. Besides undergoing photometric and ellipsometric inspection, the samples were investigated at 193 and 633 nm by an optical scatter measurement facility. The structural properties were assessed with atomic-force microscopy, x-ray diffraction, TEM techniques that involved conventional thinning methods for the layers. For measurement of mechanical stress in the coatings, special silicon substrates were coated and analyzed. The dispersion behavior of both deposition materials, which was determined on the basis of various independent photometric measurements and data reduction techniques, is in good agreement with that published in the literature and with the bulk properties of the materials. The refractive indices of the MgF2 coatings ranged from 1.415 to 1.440 for the wavelength of the ArF excimer laser (193 nm) and from 1.435 to 1.465 for the wavelength of the F2 excimer laser (157 nm). For single layers of LaF3 the refractive indices extended from 1.67 to 1.70 at 193 nm to approx1.80 at 157 nm. The IBS process achieves the best homogeneity and the lowest surface roughness values (close to 1 nmrms) of the processes compared in the joint experiment. In contrast to MgF2 boat and e-beam evaporated coatings, which exhibit tensile mechanical stress ranging from 300 to 400 MPa, IBS coatings exhibit high compressive stress of as much as 910 MPa. A similar tendency was found for coating stress in LaF3 single layers. Experimental results are discussed with respect to the microstructural and compositional properties as well as to the surface topography of the coatings.

  14. Stabilization of electron-scale turbulence by electron density gradient in national spherical torus experiment

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ruiz Ruiz, J.; White, A. E.; Ren, Y.

    2015-12-15

    Theory and experiments have shown that electron temperature gradient (ETG) turbulence on the electron gyro-scale, k{sub ⊥}ρ{sub e} ≲ 1, can be responsible for anomalous electron thermal transport in NSTX. Electron scale (high-k) turbulence is diagnosed in NSTX with a high-k microwave scattering system [D. R. Smith et al., Rev. Sci. Instrum. 79, 123501 (2008)]. Here we report on stabilization effects of the electron density gradient on electron-scale density fluctuations in a set of neutral beam injection heated H-mode plasmas. We found that the absence of high-k density fluctuations from measurements is correlated with large equilibrium density gradient, which ismore » shown to be consistent with linear stabilization of ETG modes due to the density gradient using the analytical ETG linear threshold in F. Jenko et al. [Phys. Plasmas 8, 4096 (2001)] and linear gyrokinetic simulations with GS2 [M. Kotschenreuther et al., Comput. Phys. Commun. 88, 128 (1995)]. We also found that the observed power of electron-scale turbulence (when it exists) is anti-correlated with the equilibrium density gradient, suggesting density gradient as a nonlinear stabilizing mechanism. Higher density gradients give rise to lower values of the plasma frame frequency, calculated based on the Doppler shift of the measured density fluctuations. Linear gyrokinetic simulations show that higher values of the electron density gradient reduce the value of the real frequency, in agreement with experimental observation. Nonlinear electron-scale gyrokinetic simulations show that high electron density gradient reduces electron heat flux and stiffness, and increases the ETG nonlinear threshold, consistent with experimental observations.« less

  15. NH4 Be2 BO3 F2 and γ-Be2 BO3 F: Overcoming the Layering Habit in KBe2 BO3 F2 for the Next-Generation Deep-Ultraviolet Nonlinear Optical Materials.

    PubMed

    Peng, Guang; Ye, Ning; Lin, Zheshuai; Kang, Lei; Pan, Shilie; Zhang, Min; Lin, Chensheng; Long, Xifa; Luo, Min; Chen, Yu; Tang, Yu-Huan; Xu, Feng; Yan, Tao

    2018-05-12

    KBe 2 BO 3 F 2 (KBBF) is still the only practically usable crystal that can generate deep-ultraviolet (DUV) coherent light by direct second harmonic generation (SHG). However, applications are hindered by layering, leading to difficulty in the growth of thick crystals and compromised mechanical integrity. Despite efforts, it is still a great challenge to discover new nonlinear optical (NLO) materials that overcome the layering while keeping the DUV SHG available. Now, two new DUV NLO beryllium borates have been successfully designed and synthesized, NH 4 Be 2 BO 3 F 2 (ABBF) and γ-Be 2 BO 3 F (γ-BBF), which not only overcome the layering but also can be used as next-generation DUV NLO materials with the shortest type I phase-matching second-harmonic wavelength down to 173.9 nm and 146 nm, respectively. Significantly, γ-BBF is superior to KBBF in all metrics and would be the most outstanding DUV NLO crystal. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Jahn-Teller transition in TiF3 investigated using density-functional theory

    NASA Astrophysics Data System (ADS)

    Perebeinos, Vasili; Vogt, Tom

    2004-03-01

    We use first-principles density-functional theory to calculate the electronic and magnetic properties of TiF3 using the full-potential-linearized augmented-plane-wave method. The local density approximation (LDA) predicts a fully saturated ferromagnetic metal and finds degenerate energy minima for high- and low-symmetry structures. The experimentally observed Jahn-Teller phase transition at Tc=370 K cannot be driven by the electron-phonon interaction alone, which is usually described accurately by the LDA. Electron correlations beyond the LDA are essential to lift the degeneracy of the singly occupied Ti t2g orbital. Although the on-site Coulomb correlations are important, the direction of the t2g-level splitting is determined by dipole-dipole interactions. The LDA+U functional predicts an aniferromagnetic insulator with an orbitally ordered ground state. The input parameters U=8.1 eV and J=0.9 eV for the Ti 3d orbital were found by varying the total charge on the TiF2-6 ion using the molecular NRLMOL code. We estimate the Heisenberg exchange constant for spin 1/2 on a cubic lattice to be approximately 24 K. The symmetry lowering energy in LDA+U is about 900 K per TiF3 formula unit.

  17. Experimental observation of charge-shift bond in fluorite CaF2.

    PubMed

    Stachowicz, Marcin; Malinska, Maura; Parafiniuk, Jan; Woźniak, Krzysztof

    2017-08-01

    On the basis of a multipole refinement of single-crystal X-ray diffraction data collected using an Ag source at 90 K to a resolution of 1.63 Å -1 , a quantitative experimental charge density distribution has been obtained for fluorite (CaF 2 ). The atoms-in-molecules integrated experimental charges for Ca 2+ and F - ions are +1.40 e and -0.70 e, respectively. The derived electron-density distribution, maximum electron-density paths, interaction lines and bond critical points along Ca 2+ ...F - and F - ...F - contacts revealed the character of these interactions. The Ca 2+ ...F - interaction is clearly a closed shell and ionic in character. However, the F - ...F - interaction has properties associated with the recently recognized type of interaction referred to as `charge-shift' bonding. This conclusion is supported by the topology of the electron localization function and analysis of the quantum theory of atoms in molecules and crystals topological parameters. The Ca 2+ ...F - bonded radii - measured as distances from the centre of the ion to the critical point - are 1.21 Å for the Ca 2+ cation and 1.15 Å for the F - anion. These values are in a good agreement with the corresponding Shannon ionic radii. The F - ...F - bond path and bond critical point is also found in the CaF 2 crystal structure. According to the quantum theory of atoms in molecules and crystals, this interaction is attractive in character. This is additionally supported by the topology of non-covalent interactions based on the reduced density gradient.

  18. Control of electronic properties of 2D carbides (MXenes) by manipulating their transition metal layers

    DOE PAGES

    Anasori, Babak; Shi, Chenyang; Moon, Eun Ju; ...

    2016-02-24

    In this paper, a transition from metallic to semiconducting-like behavior has been demonstrated in two-dimensional (2D) transition metal carbides by replacing titanium with molybdenum in the outer transition metal (M) layers of M 3C 2 and M 4C 3 MXenes. The MXene structure consists of n + 1 layers of near-close packed M layers with C or N occupying the octahedral site between them in an [MX] nM arrangement. Recently, two new families of ordered 2D double transition metal carbides MXenes were discovered, M' 2M"C 2 and M' 2M" 2C 3 – where M' and M" are two different earlymore » transition metals, such as Mo, Cr, Ta, Nb, V, and Ti. The M' atoms only occupy the outer layers and the M" atoms fill the middle layers. In other words, M' atomic layers sandwich the middle M"–C layers. Using X-ray atomic pair distribution function (PDF) analysis on Mo 2TiC 2 and Mo 2Ti 2C 3 MXenes, we present the first quantitative analysis of structures of these novel materials and experimentally confirm that Mo atoms are in the outer layers of the [MC] nM structures. The electronic properties of these Mo-containing MXenes are compared with their Ti 3C 2 counterparts, and are found to be no longer metallic-like conductors; instead the resistance increases mildly with decreasing temperatures. Density functional theory (DFT) calculations suggest that OH terminated Mo–Ti MXenes are semiconductors with narrow band gaps. Measurements of the temperature dependencies of conductivities and magnetoresistances have confirmed that Mo 2TiC 2T x exhibits semiconductor-like transport behavior, while Ti 3C 2T x is a metal. Finally, this finding opens new avenues for the control of the electronic and optical applications of MXenes and for exploring new applications, in which semiconducting properties are required.« less

  19. New Data on the Topside Electron Density Distribution

    NASA Technical Reports Server (NTRS)

    Huang, Xue-Qin; Reinisch, Bodo; Bilitza, Dieter; Benson, Robert F.

    2001-01-01

    The existing uncertainties about the electron density profiles in the topside ionosphere, i.e., in the height region from hmF2 to approx. 2000 km, require the search for new data sources. The ISIS and Alouette topside sounder satellites from the sixties to the eighties recorded millions of ionograms and most were not analyzed in terms of electron density profiles. In recent years an effort started to digitize the analog recordings to prepare the ionograms for computerized analysis. As of November 2001 about 350,000 ionograms have been digitized from the original 7-track analog tapes. These data are available in binary and CDF format from the anonymous ftp site of the National Space Science Data Center. A search site and browse capabilities on CDAWeb assist the scientific usage of these data. All information and access links can be found at http://nssdc.gsfc.nasa.gov/space/isis/isis-status.html. This paper describes the ISIS data restoration effort and shows how the digital ionograms are automatically processed into electron density profiles from satellite orbit altitude (1400 km for ISIS-2) down to the F peak. Because of the large volume of data an automated processing algorithm is imperative. The automatic topside ionogram scaler with true height algorithm TOPIST software developed for this task is successfully scaling approx.70 % of the ionograms. An 'editing process' is available to manually scale the more difficult ionograms. The automated processing of the digitized ISIS ionograms is now underway, producing a much-needed database of topside electron density profiles for ionospheric modeling covering more than one solar cycle. The ISIS data restoration efforts are supported through NASA's Applied Systems and Information Research Program.

  20. Enhanced interfacial electron transfer of inverted perovskite solar cells by introduction of CoSe into the electron-transporting-layer

    NASA Astrophysics Data System (ADS)

    Chen, Shanshan; Yang, Songwang; Sun, Hong; Zhang, Lu; Peng, Jiajun; Liang, Ziqi; Wang, Zhong-Sheng

    2017-06-01

    To improve the electron transfer at the interface between the perovskite film and the electron-transporting-material (ETM) layer, CoSe doped [6,6]-phenyl C61-butyric acid methyl ester (PCBM) is employed as the ETM layer for the inverted planar perovskite solar cell with NiO as the hole-transporting-material layer. Introduction of CoSe (5.8 wt%) into the PCBM layer improves the conductivity of the ETM layer and decreases the photoluminescence intensity, thus enhancing the interfacial electron extraction and reducing the electron transfer resistance at the perovskite/ETM interface. As a consequence, the power conversion efficiency is enhanced from 11.43% to 14.91% by 30% due to the noted increases in short-circuit current density from 17.95 mA cm-2 to 19.85 mA cm-2 and fill factor from 0.60 to 0.70. This work provides a new strategy to improve the performance of inverted perovskite solar cells.

  1. Electronic structure and microscopic model of V(2)GeO(4)F(2)-a quantum spin system with S = 1.

    PubMed

    Rahaman, Badiur; Saha-Dasgupta, T

    2007-07-25

    We present first-principles density functional calculations and downfolding studies of the electronic and magnetic properties of the oxide-fluoride quantum spin system V(2)GeO(4)F(2). We discuss explicitly the nature of the exchange paths and provide quantitative estimates of magnetic exchange couplings. A microscopic modelling based on analysis of the electronic structure of this systems puts it in the interesting class of weakly coupled alternating chain S = 1 systems. Based on the microscopic model, we make inferrences about its spin excitation spectra, which needs to be tested by rigorous experimental study.

  2. A Monte Carlo Sensitivity Analysis of CF2 and CF Radical Densities in a c-C4F8 Plasma

    NASA Technical Reports Server (NTRS)

    Bose, Deepak; Rauf, Shahid; Hash, D. B.; Govindan, T. R.; Meyyappan, M.

    2004-01-01

    A Monte Carlo sensitivity analysis is used to build a plasma chemistry model for octacyclofluorobutane (c-C4F8) which is commonly used in dielectric etch. Experimental data are used both quantitatively and quantitatively to analyze the gas phase and gas surface reactions for neutral radical chemistry. The sensitivity data of the resulting model identifies a few critical gas phase and surface aided reactions that account for most of the uncertainty in the CF2 and CF radical densities. Electron impact dissociation of small radicals (CF2 and CF) and their surface recombination reactions are found to be the rate-limiting steps in the neutral radical chemistry. The relative rates for these electron impact dissociation and surface recombination reactions are also suggested. The resulting mechanism is able to explain the measurements of CF2 and CF densities available in the literature and also their hollow spatial density profiles.

  3. Few-layered MoSe2 nanosheets as an advanced electrode material for supercapacitors.

    PubMed

    Balasingam, Suresh Kannan; Lee, Jae Sung; Jun, Yongseok

    2015-09-21

    We report the synthesis of few-layered MoSe2 nanosheets using a facile hydrothermal method and their electrochemical charge storage behavior. A systematic study of the structure and morphology of the as-synthesized MoSe2 nanosheets was performed. The downward peak shift in the Raman spectrum and the high-resolution transmission electron microscopy images confirmed the formation of few-layered nanosheets. The electrochemical energy-storage behavior of MoSe2 nanosheets was also investigated for supercapacitor applications in a symmetric cell configuration. The MoSe2 nanosheet electrode exhibited a maximum specific capacitance of 198.9 F g(-1) and the symmetric device showed 49.7 F g(-1) at a scan rate of 2 mV s(-1). A capacitance retention of approximately 75% was observed even after 10 000 cycles at a high charge-discharge current density of 5 A g(-1). The two-dimensional MoSe2 nanosheets exhibited a high specific capacitance and good cyclic stability, which makes it a promising electrode material for supercapacitor applications.

  4. Increased electronic coupling in silicon nanocrystal networks doped with F4-TCNQ.

    PubMed

    Carvalho, Alexandra; Oberg, Sven; Rayson, Mark J; Briddon, Patrick R

    2013-02-01

    The modification of the electronic structure of silicon nanocrystals using an organic dopant, 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4-TCNQ), is investigated using first-principles calculations. It is shown that physisorbed F4-TCNQ molecules have the effect of oxidizing the nanocrystal, attracting the charge density towards the F4-TCNQ-nanocrystal interface, and decreasing the excitation energy of the system. In periodic F4-TCNQ/nanocrystal superlattices, F4-TCNQ is suggested to enhance exciton separation, and in the presence of free holes, to serve as a bridge for electron/hole transfer between adjacent nanocrystals.

  5. Electronic structure and electron momentum densities of Ag2CrO4

    NASA Astrophysics Data System (ADS)

    Meena, Seema Kumari; Ahuja, B. L.

    2018-05-01

    We present the first-ever experimental electron momentum density of Ag2CrO4 using 661.65 keV γ-rays from 20 Ci 137Cs source. To validate our experimental data, we have also deduced theoretical Compton profiles, energy bands and density of states using linear combination of atomic orbitals (LCAO) method in the framework of density functional theory. It is seen that the DFT-LDA gives a better agreement with experimental data than free atom model. The energy bands and density of states are also discussed.

  6. Compressive and rarefactive double layers in non-uniform plasma with q-nonextensive distributed electrons

    NASA Astrophysics Data System (ADS)

    Shan, S. Ali; Saleem, H.

    2018-05-01

    Electrostatic solitary waves and double layers (DLs) formed by the coupled ion acoustic (IA) and drift waves have been investigated in non-uniform plasma using q-nonextensive distribution function for the electrons and assuming ions to be cold Ti< Te. It is found that both compressive and rarefactive nonlinear structures (solitary waves and DLs) are possible in such a system. The steeper gradients are supportive for compressive solitary (and double layers) and destructive for rarefactive ones. The q-nonextensivity parameter q and the magnitudes of gradient scale lengths of density and temperature have significant effects on the amplitude of the double layers (and double layers) as well as on the speed of these structures. This theoretical model is general which has been applied here to the F-region ionosphere for illustration.

  7. Reconstruction of missed critical frequency of F2-layer over Mexico using TEC

    NASA Astrophysics Data System (ADS)

    Sergeeva, M. A.; Maltseva, O. A.; Gonzalez-Esparza, A.; Romero Hernandez, E.; De la Luz, V.; Rodriguez-Martinez, M. R.

    2016-12-01

    The study of the Earth's ionosphere's state is one of the key issues within the Space Weather monitoring task. It is hard to overestimate the importance of diagnostics of its current state and forecasts of Space Weather conditions. There are different methods of short-time predictions for the ionosphere state change. The real-time monitoring of the ionospheric Total Electron Content (TEC) provides the opportunity to choose an appropriate technique for the particular observation point on the Earth. From September 2015 the continuous monitoring of TEC variations over the territory of Mexico is performed by the Mexican Space Weather Service (SCiESMEX). Regular patterns of the diurnal and seasonal TEC variations were revealed in base of past statistics and real-time observations which can be used to test the prediction method. Some specific features of the ionosphere behaviour are discussed. However, with all the merits of TEC as an ionospheric parameter, for the full picture of the processes in the ionosphere and for practical applications it is needed to identify the behaviour of other principal ionospheric parameters provided by ionosondes. Currently, SCiESMEX works on the project of the ionosonde installation in Mexico. This study was focused on the reconstruction of the critical frequency of F2-layer of the ionosphere (foF2) when this data is missing. For this purpose measurements of TEC and the median value of the equivalent slab thickness of the ionosphere were used. First, the foF2 values reconstruction was made for the case of the ionosonde data being absent during some hours or days. Second, the possibility of foF2 reconstruction was estimated for the Mexican region having no ionosonde using local TEC data and foF2 data obtained in the regions close to Mexico. Calculations were performed for quiet and disturbed periods. The results of reconstruction were compared to the foF2 obtained from the International Reference Model and to median foF2 values. Comparison

  8. The influence of the Ar/O2 ratio on the electron density and electron temperature in microwave discharges

    NASA Astrophysics Data System (ADS)

    Espinho, S.; Hofmann, S.; Palomares, J. M.; Nijdam, S.

    2017-10-01

    The aim of this work is to study the properties of Ar-O2 microwave driven surfatron plasmas as a function of the Ar/O2 ratio in the gas mixture. The key parameters are the plasma electron density and electron temperature, which are estimated with Thomson scattering (TS) for O2 contents up to 50% of the total gas flow. A sharp drop in the electron density from {10}20 {{{m}}}-3 to approximately {10}18 {{{m}}}-3 is estimated as the O2 content in the gas mixture is increased up to 15%. For percentages of O2 lower than 10%, the electron temperature is estimated to be about 2-3 times higher than in the case of a pure argon discharge in the same conditions ({T}{{e}}≈ 1 eV) and gradually decreases as the O2 percentage is raised to 50%. However, for O2 percentages above 30%, the scattering spectra become Raman dominated, resulting in large uncertainties in the estimated electron densities and temperatures. The influence of photo-detached electrons from negative ions caused by the typical TS laser fluences is also likely to contribute to the uncertainty in the measured electron densities for high O2 percentages. Moreover, the detection limit of the system is reached for percentages of O2 higher than 25%. Additionally, both the electron density and temperature of microwave discharges with large Ar/O2 ratios are more sensitive to gas pressure variations.

  9. Valence-Band Electronic Structures of High-Pressure-Phase PdF2-type Platinum-Group Metal Dioxides MO2 (M = Ru, Rh, Ir, and Pt)

    NASA Astrophysics Data System (ADS)

    Soda, Kazuo; Kobayashi, Daichi; Mizui, Tatsuya; Kato, Masahiko; Shirako, Yuichi; Niwa, Ken; Hasegawa, Masashi; Akaogi, Masaki; Kojitani, Hiroshi; Ikenaga, Eiji; Muro, Takayuki

    2018-04-01

    The valence-band electronic structures of high-pressure-phase PdF2-type (HP-PdF2-type) platinum-group metal dioxides MO2 (M = Ru, Rh, Ir, and Pt) were studied by synchrotron radiation photoelectron spectroscopy and first-principles calculations. The obtained photoelectron spectra for HP-PdF2-type RuO2, RhO2, and IrO2 agree well with the calculated valence-band densities of states (DOSs) for these compounds, indicating their metallic properties, whereas the DOS of HP-PdF2-type PtO2 (calculated in the presence and absence of spin-orbit interactions) predicts that this material may be metallic or semimetallic, which is inconsistent with the electric conductivity reported to date and the charging effect observed in current photoelectron measurements. Compared with the calculated results, the valence-band spectrum of PtO2 appears to have shifted toward the high-binding-energy side and reveals a gradual intensity decrease toward the Fermi energy EF, implying a semiconductor-like electronic structure. Spin-dependent calculations predict a ferromagnetic ground state with a magnetization of 0.475 μB per formula unit for HP-PdF2-type RhO2.

  10. TiO2-ZnS Cascade Electron Transport Layer for Efficient Formamidinium Tin Iodide Perovskite Solar Cells.

    PubMed

    Ke, Weijun; Stoumpos, Constantinos C; Logsdon, Jenna Leigh; Wasielewski, Michael R; Yan, Yanfa; Fang, Guojia; Kanatzidis, Mercouri G

    2016-11-16

    Achieving high open-circuit voltage (V oc ) for tin-based perovskite solar cells is challenging. Here, we demonstrate that a ZnS interfacial layer can improve the V oc and photovoltaic performance of formamidinium tin iodide (FASnI 3 ) perovskite solar cells. The TiO 2 -ZnS electron transporting layer (ETL) with cascade conduction band structure can effectively reduce the interfacial charge recombination and facilitate electron transfer. Our best-performing FASnI 3 perovskite solar cell using the cascaded TiO 2 -ZnS ETL has achieved a power conversion efficiency of 5.27%, with a higher V oc of 0.380 V, a short-circuit current density of 23.09 mA cm -2 , and a fill factor of 60.01%. The cascade structure is further validated with a TiO 2 -CdS ETL. Our results suggest a new approach for further improving the performance of tin-based perovskite solar cells with a higher V oc .

  11. December anomaly in ionosphere using FORMOSAT-3/COSMIC electron density profiles

    NASA Astrophysics Data System (ADS)

    Dashnyam, G.; Lin, C. C. H.; Rajesh, P. K.; Lin, J. T.

    2017-12-01

    December anomaly in ionosphere refers to the observation of greater value of global average ionospheric peak electron density (NmF2) in December-January months than in June-July months. So far there has been no satisfactory explanation to account for this difference, which is also known as annual asymmetry, leading to the speculation that forcing from lower atmosphere may be important. In this work, FORMOSAT-3/COSMIC electron density profiles are used to investigate the characteristics of December anomaly at different local times and longitudes in varying levels of solar activity. The observations in the years 2008, 2009 and 2012 are used for the study. The results suggest that the anomaly exists in all the three years, and is pronounced during day. Detailed analysis is carried out using latitude-altitude electron density profiles at selected longitude sectors, revealing that neutral wind may play dominant role. SAMI2 model is used to further examine the role of neutral wind influencing the electron density in different solstices. Tidal decomposition of the wind is carried out to understand the dominant tidal components that give rise to the larger electron density in the December-January months.

  12. Thin-film encapsulation of organic electronic devices based on vacuum evaporated lithium fluoride as protective buffer layer

    NASA Astrophysics Data System (ADS)

    Peng, Yingquan; Ding, Sihan; Wen, Zhanwei; Xu, Sunan; Lv, Wenli; Xu, Ziqiang; Yang, Yuhuan; Wang, Ying; Wei, Yi; Tang, Ying

    2017-03-01

    Encapsulation is indispensable for organic thin-film electronic devices to ensure reliable operation and long-term stability. For thin-film encapsulating organic electronic devices, insulating polymers and inorganic metal oxides thin films are widely used. However, spin-coating of insulating polymers directly on organic electronic devices may destroy or introduce unwanted impurities in the underlying organic active layers. And also, sputtering of inorganic metal oxides may damage the underlying organic semiconductors. Here, we demonstrated that by utilizing vacuum evaporated lithium fluoride (LiF) as protective buffer layer, spin-coated insulating polymer polyvinyl alcohol (PVA), and sputtered inorganic material Er2O3, can be successfully applied for thin film encapsulation of copper phthalocyanine (CuPc)-based organic diodes. By encapsulating with LiF/PVA/LiF trilayer and LiF/Er2O3 bilayer films, the device lifetime improvements of 10 and 15 times can be achieved. These methods should be applicable for thin-film encapsulation of all kinds of organic electronic devices. Moisture-induced hole trapping, and Al top electrode oxidation are suggest to be the origins of current decay for the LiF/PVA/LiF trilayer and LiF/Er2O3 bilayer films encapsulated devices, respectively.

  13. Excess electron is trapped in a large single molecular cage C60F60.

    PubMed

    Wang, Yin-Feng; Li, Zhi-Ru; Wu, Di; Sun, Chia-Chung; Gu, Feng-Long

    2010-01-15

    A new kind of solvated electron systems, sphere-shaped e(-)@C60F60 (I(h)) and capsule-shaped e(-)@C60F60 (D6h), in contrast to the endohedral complex M@C60, is represented at the B3LYP/6-31G(d) + dBF (diffusive basis functions) density functional theory. It is proven, by examining the singly occupied molecular orbital (SOMO) and the spin density map of e(-)@C60F60, that the excess electron is indeed encapsulated inside the C60F60 cage. The shape of the electron cloud in SOMO matches with the shape of C60F60 cage. These cage-like single molecular solvated electrons have considerably large vertical electron detachment energies VDE of 4.95 (I(h)) and 4.67 eV (D6h) at B3LYP/6-31+G(3df) + dBF level compared to the VDE of 3.2 eV for an electron in bulk water (Coe et al., Int Rev Phys Chem 2001, 20, 33) and that of 3.66 eV for e(-)@C20F20 (Irikura, J Phys Chem A 2008, 112, 983), which shows their higher stability. The VDE of the sphere-shaped e(-)@C60F60 (I(h)) is greater than that of the capsule-shaped e(-)@C60F60 (D6h), indicating that the excess electron prefers to reside in the cage with the higher symmetry to form the more stable solvated electron. It is also noticed that the cage size [7.994 (I(h)), 5.714 and 9.978 A (D6h) in diameter] is much larger than that (2.826 A) of (H2O)20- dodecahedral cluster (Khan, Chem Phys Lett 2005, 401, 85). Copyright 2009 Wiley Periodicals, Inc.

  14. Variations of E-region total electron content and electron density profiles over high latitudes during winter solstice 2007 using radio occultation measurements

    NASA Astrophysics Data System (ADS)

    Agrawal, Kajli

    The space weather phenomenon involves the Sun, interplanetary space and the Earth. Different space weather conditions have diverse effects on the various layers of the Earth's atmosphere Technological advancements have created a situation in which human civilization is not only dependent on resources from deep inside the Earth, but also on the upper atmosphere and outer space region. Therefore, it is essential to improve the understanding of the impacts of space weather conditions on the ionosphere. This research focuses on the variation of total electron content (TEC) and the electron density within the E-region of the ionosphere, which extends from 80-150 km above the surface of the Earth, using radio occultation measurements obtained by COSMIC satellites and using Ionospheric Data Assimilation Four-Dimensional algorithm (IDA4D) which is used to mitigate the effects of F-region in the E-region estimation (Bust, Garner, & Gaussiran, 2004). E-region TEC and the electron density estimation for geomagnetic latitude range of 45°--80°, geomagnetic longitude range of -180°--180° and 1800--0600 MLT (magnetic local time) are presented for two active and two quiet days during winter solstice 2007. Active and quiet days are identified based on the Kp index values. Some of the important findings are (1) E-region electron peak density is higher during active days than during quiet days, and (2) during both types of days, higher density values were found at the magnetic latitude of >60° early morning MLT. Prominent E-region features (TEC and electron density) were observed during most active days over the magnetic latitude range of 60°-70° at ~02:00 MLT.

  15. Enhancement-mode GaAs metal-oxide-semiconductor high-electron-mobility transistors with atomic layer deposited Al2O3 as gate dielectric

    NASA Astrophysics Data System (ADS)

    Lin, H. C.; Yang, T.; Sharifi, H.; Kim, S. K.; Xuan, Y.; Shen, T.; Mohammadi, S.; Ye, P. D.

    2007-11-01

    Enhancement-mode GaAs metal-oxide-semiconductor high-electron-mobility transistors (MOS-HEMTs) with ex situ atomic-layer-deposited Al2O3 as gate dielectrics are studied. Maximum drain currents of 211 and 263mA/mm are obtained for 1μm gate-length Al2O3 MOS-HEMTs with 3 and 6nm thick gate oxide, respectively. C-V characteristic shows negligible hysteresis and frequency dispersion. The gate leakage current density of the MOS-HEMTs is 3-5 orders of magnitude lower than the conventional HEMTs under similar bias conditions. The drain current on-off ratio of MOS-HEMTs is ˜3×103 with a subthreshold swing of 90mV/decade. A maximum cutoff frequency (fT) of 27.3GHz and maximum oscillation frequency (fmax) of 39.9GHz and an effective channel mobility of 4250cm2/Vs are measured for the 1μm gate-length Al2O3 MOS-HEMT with 6nm gate oxide. Hooge's constant measured by low frequency noise spectral density characterization is 3.7×10-5 for the same device.

  16. Magnetism and electronic structures of novel layered CaFeAs{sub 2} and Ca{sub 0.75}(Pr/La){sub 0.25}FeAs{sub 2}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Huang, Yi-Na; Zou, Liang-Jian, E-mail: zou@theory.issp.ac.cn; University of Science and Technology of China, Hefei, Anhui 230026

    2015-05-07

    The magnetic and electronic properties of the parent material CaFeAs{sub 2} of new superconductors are investigated using first-principles calculations. We predict that the ground state of CaFeAs{sub 2} is a spin-density-wave (SDW)-type striped antiferromagnet driven by Fermi surface nesting. The magnetic moment around each Fe atom is about 2.1 μ{sub B}. We also present electronic and magnetic structures of electron-doped phase Ca{sub 0.75}(Pr/La){sub 0.25}FeAs{sub 2}, the SDW order was suppressed by La/Pr substitution. The As in arsenic layers is negative monovalent and acts as blocking layers enhancing two-dimensional character by increasing the spacing distance between the FeAs layers. This favorsmore » strong antiferromagnetic fluctuations mediated pairing, implying higher T{sub c} in Ca{sub 0.75}(Pr/La){sub 0.25}FeAs{sub 2} than Ca{sub 0.75}(Pr/La){sub 0.25}Fe{sub 2}As{sub 2}.« less

  17. Statistical description of non-Gaussian samples in the F2 layer of the ionosphere during heliogeophysical disturbances

    NASA Astrophysics Data System (ADS)

    Sergeenko, N. P.

    2017-11-01

    An adequate statistical method should be developed in order to predict probabilistically the range of ionospheric parameters. This problem is solved in this paper. The time series of the critical frequency of the layer F2- foF2( t) were subjected to statistical processing. For the obtained samples {δ foF2}, statistical distributions and invariants up to the fourth order are calculated. The analysis shows that the distributions differ from the Gaussian law during the disturbances. At levels of sufficiently small probability distributions, there are arbitrarily large deviations from the model of the normal process. Therefore, it is attempted to describe statistical samples {δ foF2} based on the Poisson model. For the studied samples, the exponential characteristic function is selected under the assumption that time series are a superposition of some deterministic and random processes. Using the Fourier transform, the characteristic function is transformed into a nonholomorphic excessive-asymmetric probability-density function. The statistical distributions of the samples {δ foF2} calculated for the disturbed periods are compared with the obtained model distribution function. According to the Kolmogorov's criterion, the probabilities of the coincidence of a posteriori distributions with the theoretical ones are P 0.7-0.9. The conducted analysis makes it possible to draw a conclusion about the applicability of a model based on the Poisson random process for the statistical description and probabilistic variation estimates during heliogeophysical disturbances of the variations {δ foF2}.

  18. Polar Cap Electron Densities from DE-1 Plasma Wave Observations.

    DTIC Science & Technology

    1983-06-11

    of plasma above the F2 peak, predicts an electron density distribution of [ Angerami and Thomas, 1964) .4...Grants NGL- 16-001-002 and NGL-16-001-043 from NASA Headquarters, and by the Office of Naval Research. -p 42 REFERENCES Angerami , J. J., and J. 0. Thomas

  19. Critical frequencies of the ionospheric F1 and F2 layers during the last four solar cycles: Sunspot group type dependencies

    NASA Astrophysics Data System (ADS)

    Yiǧit, Erdal; Kilcik, Ali; Elias, Ana Georgina; Dönmez, Burçin; Ozguc, Atila; Yurchshyn, Vasyl; Rozelot, Jean-Pierre

    2018-06-01

    The long term solar activity dependencies of ionospheric F1 and F2 regions' critical frequencies (f0F1 and f0F2) are analyzed for the last four solar cycles (1976-2015). We show that the ionospheric F1 and F2 regions have different solar activity dependencies in terms of the sunspot group (SG) numbers: F1 region critical frequency (f0F1) peaks at the same time with the small SG numbers, while the f0F2 reaches its maximum at the same time with the large SG numbers, especially during the solar cycle 23. The observed differences in the sensitivity of ionospheric critical frequencies to sunspot group (SG) numbers provide a new insight into the solar activity effects on the ionosphere and space weather. While the F1 layer is influenced by the slow solar wind, which is largely associated with small SGs, the ionospheric F2 layer is more sensitive to Coronal Mass Ejections (CMEs) and fast solar winds, which are mainly produced by large SGs and coronal holes. The SG numbers maximize during of peak of the solar cycle and the number of coronal holes peaks during the sunspot declining phase. During solar minimum there are relatively less large SGs, hence reduced CME and flare activity. These results provide a new perspective for assessing how the different regions of the ionosphere respond to space weather effects.

  20. Synthesis and structure of a new layered oxyfluoride Sr{sub 2}ScO{sub 3}F with photocatalytic property

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wang, Yongkun; Tang, Kaibin, E-mail: kbtang@ustc.edu.cn; Zhu, Baichuan

    2015-05-15

    Highlights: • A new oxyfluoride compound Sr{sub 2}ScO{sub 3}F was prepared by a solid state route. • The structure of this compound was determined by GSAS program based on XRD data. • The photocatalytic property was investigated under UV irradiation. - Abstract: A new Ruddlesden–Popper type scandium oxyfluoride, Sr{sub 2}ScO{sub 3}F, was synthesized by a conventional solid state reaction route. The detailed structure of Sr{sub 2}ScO{sub 3}F was investigated using X-ray diffraction (XRD) and selected area electron diffraction (SAED). The disorder distribution pattern of fluorine anions was determined by the {sup 19}F nuclear magnetic resonance (NMR) spectrum. The compound crystallizesmore » in a K{sub 2}NiF{sub 4}-type tetragonal structure (space group I4/mmm) with O/F anions disordered over the apical sites of the perovskite-type Sc(O,F){sub 6} octahedron layers interleaved with strontium cations. Ultraviolet–visible (UV–vis) diffuse reflection spectrum of the prepared Sr{sub 2}ScO{sub 3}F indicates that it has an absorption in the UV–vis region. The photocatalytic activity of Sr{sub 2}ScO{sub 3}F was further investigated, showing an effective photodegradation of Rhodamine-B (RB) within 2 h under UV light irradiation.« less

  1. Qualitative analysis of ionospheric disorders in Solok earthquake (March 6, 2007) viewed from anomalous critical frequency of layer F (f0F2) and genesis spread F

    NASA Astrophysics Data System (ADS)

    Pujiastuti, D.; Daniati, S.; Taufiqurrahman, E.; Mustafa, B.; Ednofri

    2018-03-01

    A qualitative analysis has been conducted by comparing the critical frequency anomalies of layer F (f0F2) and Spread F events to see the correlation with seismic activity before the Solok earthquake (March 6, 2007) in West Sumatra. The ionospherics data used was taken using the FMCW ionosonde at LAPAN SPD Kototabang, Palupuah, West Sumatra. The process of ionogramme scaling is done first to get the daily value of f0F2. The value of f0F2 is then compared with its monthly median to see the daily variations that appear. Anomalies of f0F2 and Spread F events were observed from February 20, 2007 to March 6, 2007. The presence of f0F2 anomalies was the negative deviation and the presence of Spread F before earthquake events were recommended as Solok earthquake precursors as they occurred when geomagneticsics and solar activities were normal.

  2. Electron Scattering at Surfaces of Epitaxial Metal Layers

    NASA Astrophysics Data System (ADS)

    Chawla, Jasmeet Singh

    and without thin epitaxial TiN(001) wetting layers and are studied for structure, crystalline quality, surface morphology, density and composition by a combination of x-ray diffraction theta-2theta scans, o-rocking curves, pole figures, reciprocal space mapping, Rutherford backscattering, x-ray reflectometry and transmission electron microscopy. The TiN(001) surface suppresses Cu and Ag dewetting, yielding lower defect density, no twinning, and smaller surface roughness than if grown on MgO(001). Textured polycrystalline Cu(111) layers 25-50-nm-thick are deposited on a stack of 7.5-nm-Ta on SiO2/Si(001), and subsequent in situ annealing at 350°C followed by sputter etching in Ar plasma yields Cu layers with independently variable thickness and grain size. Cu nanowires, 75 to 350 nm wide, are fabricated from Cu layers with different average grain size using a subtractive patterning process. In situ electron transport measurements at room temperature in vacuum and at 77 K in liquid nitrogen for single-crystal Cu and Ag layers is consistent with the Fuchs-Sondheimer (FS) model and indicates specular scattering at the metal-vacuum boundary with an average specularity parameter p = 0.8 and 0.6, respectively. In contrast, layers measured ex situ show diffuse surface scattering due to sub-monolayer oxidation. Also, addition of Ta atoms on Cu(001) surface perturbs the smooth interface potential and results in completely diffuse scattering at the Cu-Ta interface, and in turn, a higher resistivity of single-crystal Cu layers. In situ exposure of Cu(001) layers to O2 between 10 -3 and 105 Pa-s results in a sequential increase, decrease and increase of the electrical resistance which is attributed to specular surface scattering for clean Cu(001) and for surfaces with a complete adsorbed monolayer, but diffuse scattering at partial coverage and after chemical oxidation. Electron transport measurements for polycrystalline Cu layers and wires show a 10-15% and 7-9% decrease in

  3. A technique for routinely updating the ITU-R database using radio occultation electron density profiles

    NASA Astrophysics Data System (ADS)

    Brunini, Claudio; Azpilicueta, Francisco; Nava, Bruno

    2013-09-01

    Well credited and widely used ionospheric models, such as the International Reference Ionosphere or NeQuick, describe the variation of the electron density with height by means of a piecewise profile tied to the F2-peak parameters: the electron density,, and the height, . Accurate values of these parameters are crucial for retrieving reliable electron density estimations from those models. When direct measurements of these parameters are not available, the models compute the parameters using the so-called ITU-R database, which was established in the early 1960s. This paper presents a technique aimed at routinely updating the ITU-R database using radio occultation electron density profiles derived from GPS measurements gathered from low Earth orbit satellites. Before being used, these radio occultation profiles are validated by fitting to them an electron density model. A re-weighted Least Squares algorithm is used for down-weighting unreliable measurements (occasionally, entire profiles) and to retrieve and values—together with their error estimates—from the profiles. These values are used to monthly update the database, which consists of two sets of ITU-R-like coefficients that could easily be implemented in the IRI or NeQuick models. The technique was tested with radio occultation electron density profiles that are delivered to the community by the COSMIC/FORMOSAT-3 mission team. Tests were performed for solstices and equinoxes seasons in high and low-solar activity conditions. The global mean error of the resulting maps—estimated by the Least Squares technique—is between and elec/m for the F2-peak electron density (which is equivalent to 7 % of the value of the estimated parameter) and from 2.0 to 5.6 km for the height (2 %).

  4. Variations of plasmaspheric field-aligned electron and ion densities (90-4000 km) during quiet to moderately active (Kp < 4) geomagnetic conditions

    NASA Astrophysics Data System (ADS)

    Sonwalkar, V. S.; Reddy, A.

    2017-12-01

    Variation in field-aligned electron and ion densities as a function of geomagnetic activity are important parameters in the physics of the thermosphere-ionosphere-magnetosphere coupling. Using whistler mode sounding from IMAGE, we report variations in field-aligned electron density and O+/H+ transition height (HT) during two periods (16-23 Aug 2005; 24 Sep-06 Oct 2005) when geomagnetic conditions were quiet (maximum Kp in the past 24 hours, Kpmax,24 ≤ 2) to moderately active (2 < Kpmax,24 <4). The measurements were obtained in the L=1.7 to 3.3 range (90- 4000 km, 13 or 15 MLT). Our results show that, under similar geomagnetic activity, at similar L-shells but with different geographic longitudes and MLTs, the O+/H+ transition height varied within ±12% of 1100 km at L 2 and within ±8% of 1350 km at L 3. The electron densities along flux tubes varied within 30% and 20%, respectively, below (including F2 peak) and above HT. With increasing L shell: (a) O+/H+ transition height increased; (b) electron density variations below HT including F2 peak showed no trend; (c) electron density above HT decreased. For flux tubes at similar longitudes, L-shells, and MLT's, relative to quiet time, during moderate geomagnetic activity: (1) O+/H+ transition height was roughly same; (2) electron density variations below HT showed no trend; (3) electron density above HT increased ( 10-40 %). The measured electron density is in agreement with in situ measurements from CHAMP (350 km) and DMSP (850 km) and past space borne (e. g., ISIS) measurements but the F2 peak density is a factor of 2 lower relative to that measured by ground ionosondes and that predicted by IRI-2012 empirical model. The measured transition height is consistent with OGO 4, Explorer 31, and C/NOFS measurements but is lower than that from IRI-2012. The observed variations in electron density at F2 peak are consistent with past work and are attributed to solar, geomagnetic, and meteorological causes [e. g. Risibeth

  5. Trapped charge densities in Al{sub 2}O{sub 3}-based silicon surface passivation layers

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Jordan, Paul M., E-mail: Paul.Jordan@namlab.com; Simon, Daniel K.; Dirnstorfer, Ingo

    2016-06-07

    In Al{sub 2}O{sub 3}-based passivation layers, the formation of fixed charges and trap sites can be strongly influenced by small modifications in the stack layout. Fixed and trapped charge densities are characterized with capacitance voltage profiling and trap spectroscopy by charge injection and sensing, respectively. Al{sub 2}O{sub 3} layers are grown by atomic layer deposition with very thin (∼1 nm) SiO{sub 2} or HfO{sub 2} interlayers or interface layers. In SiO{sub 2}/Al{sub 2}O{sub 3} and HfO{sub 2}/Al{sub 2}O{sub 3} stacks, both fixed charges and trap sites are reduced by at least a factor of 5 compared with the value measured inmore » pure Al{sub 2}O{sub 3}. In Al{sub 2}O{sub 3}/SiO{sub 2}/Al{sub 2}O{sub 3} or Al{sub 2}O{sub 3}/HfO{sub 2}/Al{sub 2}O{sub 3} stacks, very high total charge densities of up to 9 × 10{sup 12} cm{sup −2} are achieved. These charge densities are described as functions of electrical stress voltage, time, and the Al{sub 2}O{sub 3} layer thickness between silicon and the HfO{sub 2} or the SiO{sub 2} interlayer. Despite the strong variation of trap sites, all stacks reach very good effective carrier lifetimes of up to 8 and 20 ms on p- and n-type silicon substrates, respectively. Controlling the trap sites in Al{sub 2}O{sub 3} layers opens the possibility to engineer the field-effect passivation in the solar cells.« less

  6. Latitudinal Variations Of The F3 Layer Observed From The SEALION Ionosonde Network

    NASA Astrophysics Data System (ADS)

    Uemoto, J.; Ono, T.; Maruyama, T.; Saito, S.; Iizima, M.; Kumamoto, A.

    2006-12-01

    [INTRODUCTION] The occurrence probability, local time, solar and magnetic activity dependences of the F3 layer have been clarified experimentally from ionosonde observations as well as model calculation, whereas some unexplained problems have remained; It has been reported that the F3 layer was frequently obrved in June solstice season at Fortaleza in Brazil (geographic latitude -4 deg, geographic longitude 322 deg, and dip latitude -5.4 deg) though in this season (local winter season), frequently occurrences of the F3 layer were not predicted from the model calculation with normal values of the E x B drift and meridional neutral wind and seasonal dependence of occurrences at Waltair (17.7 deg, 83.3 deg, 11.5 deg) shows a different tendency from that at Fortaleza. The latter problem seems to result from geographic control or differences of dip latitude between two observation locations, however, its physical mechanism has not been clarified. Then conjugate observations in a magnetic meridional plane are needed. For the purpose of clarifying the mechanism of the F3 layer in more detail, we are analyzing the ionosonde data of the South East Asian Low-latitude IOnosonde Network [SEALION] mainly provided by NiCT which consists of 4 ionosonde stations. In this study, we analyzed ionosonde data observed at Chiang Mai (CMU [18.8 deg, 98.9 deg, 13.0 deg]), Chumphon(CPN [10.7 deg, 99.4 deg, 3.3 deg]) and Kototabang (KTB [-0.2 deg, 100.3 deg, -10.0 deg]). [ANALYSIS] As a result from analyzing ionosonde data on 31st March, 2005, following dip latitudinal differences have been found; At CPN, in the vicinity of the dip equator, the F3 layer moved upward rapidly and disappeared in earlier local time, while at CMU and KTB, in the low dip latitude region, the F3 layer stayed at almost the same altitude and remained to be detectable with longer time duration. [CONCLUSION] From comparing between observation results and the model calculation, it is suggested that such a dip

  7. Dualism of the 5f electrons of the ferromagnetic superconductor UGe2 as seen in magnetic, transport, and specific-heat data

    NASA Astrophysics Data System (ADS)

    Troć, R.; Gajek, Z.; Pikul, A.

    2012-12-01

    Single-crystalline UGe2 was investigated by means of magnetic susceptibility, magnetization, electrical resistivity, magnetoresistivity, and specific-heat measurements, all carried out in wide temperature and magnetic-field ranges. An analysis of the obtained data points out the dual behavior of the 5f electrons in this compound, i.e., possessing simultaneously local and itinerant characters in two substates. The magnetic and thermal characteristics of the compound were modeled using the effective crystal field (CF) in the intermediate coupling scheme and initial parameters obtained in the angular overlap model. Various configurations of the localized 5fn (n = 1, 2, and 3) electrons on the uranium ion have been probed. The best results were obtained for the 5f2 (U4+) configuration. The CF parameters obtained in the paramagnetic region allowed us to reproduce satisfactorily the experimental findings in the whole temperature range including also the magnitude of the ordered magnetic moment of uranium at low temperature. The electrical resistivity data after subtraction of the phonon contribution reveal the presence of a Kondo-like interaction in UGe2 supporting the idea of partial localization of the 5f electrons in UGe2. On the other hand, magnetoresistivity and an excess of specific heat originated from the hybridized (itinerant) part of 5f states, apparent around the characteristic temperature T*, give a distinct signature for the presence of the coupled charge-density wave and spin-density wave fluctuations over all the ferromagnetic region with a maximum at T*, postulated earlier in the literature.

  8. Electronic Structure and Morphology of Graphene Layers on SiC

    NASA Astrophysics Data System (ADS)

    Ohta, Taisuke

    2008-03-01

    Recent years have witnessed the discovery and the unique electronic properties of graphene, a sheet of carbon atoms arranged in a honeycomb lattice. The unique linear dispersion relation of charge carriers near the Fermi level (``Dirac Fermions'') lead to exciting transport properties, such as an unusual quantum Hall effect, and have aroused scientific and technological interests. On the way towards graphene-based electronics, a knowledge of the electronic band structure and the morphology of epitaxial graphene films on silicon carbide substrates is imperative. We have studied the evolution of the occupied band structure and the morphology of graphene layers on silicon carbide by systematically increasing the layer thickness. Using angle-resolved photoemission spectroscopy (ARPES), we examine this unique 2D system in its development from single layer to multilayers, by characteristic changes in the π band, the highest occupied state, and the dispersion relation in the out-of-plane electron wave vector in particular. The evolution of the film morphology is evaluated by the combination of low-energy electron microscopy and ARPES. By exploiting the sensitivity of graphene's electronic states to the charge carrier concentration, changes in the on-site Coulomb potential leading to a change of π and π* bands can be examined using ARPES. We demonstrate that, in a graphene bilayer, the gap between π and π* bands can be controlled by selectively adjusting relative carrier concentrations, which suggests a possible application of the graphene bilayer for switching functions in electronic devices. This work was done in collaboration with A. Bostwick, J. L. McChesney, and E. Rotenberg at Advanced Light Source, Lawrence Berkeley National Laboratory, K. Horn at Fritz-Haber-Institut, K. V. Emtsev and Th. Seyller at Lehrstuhl für Technische Physik, Universität Erlangen-Nürnberg, and F. El Gabaly and A. K. Schmid at National Center for Electron Microscopy, Lawrence Berkeley

  9. Effects of TiO2 electron blocking layer on photovoltaic performance of photo-electrochemical cell

    NASA Astrophysics Data System (ADS)

    Bin, Jae-Wook; Kim, Doo-Hwan; Sung, Youl-Moon; Park, Min-Woo

    2014-06-01

    Dye-sensitized solar cells (DSCs) have used transparent conductive Fluorine-doped SnO2 (FTO) glass/porous TiO2 layer attached using dye molecules/electrolytes (I-/I3-)/Platinium-coated FTO glass configuration. In this work, prior to the coating of nanoporous TiO2 layer on FTO glass, a dense layer of TiO2 film with a thickness of less than ∼100 nm was deposited directly onto the FTO as an electron blocking layer by radio frequency (RF) magnetron sputtering. Under 100 mW/cm2 illumination at AM 1.5, the energy conversion efficiency (η) of the prepared DSC with electron blocking layer of 80 nm thickness was 6.9% (Voc = 0.67 V, Jsc = 12.18 mA/cm2, ff = 0.63), which is increased by 1.3% compared to the typical cell without electron blocking layer.

  10. Electron dynamics in high energy density plasma bunch generation driven by intense picosecond laser pulse

    NASA Astrophysics Data System (ADS)

    Li, M.; Yuan, T.; Xu, Y. X.; Luo, S. N.

    2018-05-01

    When an intense picosecond laser pulse is loaded upon a dense plasma, a high energy density plasma bunch, including electron bunch and ion bunch, can be generated in the target. We simulate this process through one-dimensional particle-in-cell simulation and find that the electron bunch generation is mainly due to a local high energy density electron sphere originated in the plasma skin layer. Once generated the sphere rapidly expands to compress the surrounding electrons and induce high density electron layer, coupled with that, hot electrons are efficiently triggered in the local sphere and traveling in the whole target. Under the compressions of light pressure, forward-running and backward-running hot electrons, a high energy density electron bunch generates. The bunch energy density is as high as TJ/m3 order of magnitude in our conditions, which is significant in laser driven dynamic high pressure generation and may find applications in high energy density physics.

  11. The Osmium(VIII) Oxofluoro Cations OsO(2)F(3)(+) and F(cis-OsO(2)F(3))(2)(+): Syntheses, Characterization by (19)F NMR Spectroscopy and Raman Spectroscopy, X-ray Crystal Structure of F(cis-OsO(2)F(3))(2)(+)Sb(2)F(11)(-), and Density Functional Theory Calculations of OsO(2)F(3)(+), ReO(2)F(3), and F(cis-OsO(2)F(3))(2)(+).

    PubMed

    Casteel, William J.; Dixon, David A.; Mercier, Hélène P. A.; Schrobilgen, Gary J.

    1996-07-17

    Osmium dioxide tetrafluoride, cis-OsO(2)F(4), reacts with the strong fluoride ion acceptors AsF(5) and SbF(5) in anhydrous HF and SbF(5) solutions to form orange salts. Raman spectra are consistent with the formation of the fluorine-bridged diosmium cation F(cis-OsO(2)F(3))(2)(+), as the AsF(6)(-) and Sb(2)F(11)(-) salts, respectively. The (19)F NMR spectra of the salts in HF solution are exchange-averaged singlets occurring at higher frequency than those of the fluorine environments of cis-OsO(2)F(4). The F(cis-OsO(2)F(3))(2)(+)Sb(2)F(11)(-) salt crystallizes in the orthorhombic space group Imma. At -107 degrees C, a = 12.838(3) Å, b = 10.667(2) Å, c = 11.323(2) Å, V = 1550.7(8) Å(3), and Z = 4. Refinement converged with R = 0.0469 [R(w) = 0.0500]. The crystal structure consists of discrete fluorine-bridged F(cis-OsO(2)F(3))(2)(+) and Sb(2)F(11)(-) ions in which the fluorine bridge of the F(cis-OsO(2)F(3))(2)(+) cation is trans to an oxygen atom (Os-O 1.676 Å) of each OsO(2)F(3) group. The angle at the bridge is 155.2(8) degrees with a bridging Os---F(b) distance of 2.086(3) Å. Two terminal fluorine atoms (Os-F 1.821 Å) are cis to the two oxygen atoms (Os-O 1.750 Å), and two terminal fluorine atoms of the OsO(2)F(3) group are trans to one another (1.813 Å). The OsO(2)F(3)(+) cation was characterized by (19)F NMR and by Raman spectroscopy in neat SbF(5) solution but was not isolable in the solid state. The NMR and Raman spectroscopic findings are consistent with a trigonal bipyramidal cation in which the oxygen atoms and a fluorine atom occupy the equatorial plane and two fluorine atoms are in axial positions. Density functional theory calculations show that the crystallographic structure of F(cis-OsO(2)F(3))(2)(+) is the energy-minimized structure and the energy-minimized structures of the OsO(2)F(3)(+) cation and ReO(2)F(3) are trigonal bipyramidal having C(2)(v)() point symmetry. Attempts to prepare the OsOF(5)(+) cation by oxidative fluorination of cis

  12. Quantum Chemical Insight into the LiF Interlayer Effects in Organic Electronics: Reactions between Al Atom and LiF Clusters.

    PubMed

    Wu, Shui-Xing; Kan, Yu-He; Li, Hai-Bin; Zhao, Liang; Wu, Yong; Su, Zhong-Min

    2015-08-06

    It is well known that the aluminum cathode performs dramatically better when a thin lithium fluoride (LiF) layer inserted in organic electronic devices. The doping effect induced by the librated Li atom via the chemical reactions producing AlF3 as byproduct was previously proposed as one of possible mechanisms. However, the underlying mechanism discussion is quite complicated and not fully understood so far, although the LiF interlayer is widely used. In this paper, we perform theoretical calculations to consider the reactions between an aluminum atom and distinct LiF clusters. The reaction pathways of the Al-(LiF)n (n = 2, 4, 16) systems were discovered and the energetics were theoretically evaluated. The release of Li atom and the formation of AlF3 were found in two different chemical reaction routes. The undissociated Al-(LiF)n systems have chances to change to some structures with loosely bound electrons. Our findings about the interacted Al-(LiF)n systems reveal new insights into the LiF interlayer effects in organic electronics applications.

  13. Global 3-D ionospheric electron density reanalysis based on multisource data assimilation

    NASA Astrophysics Data System (ADS)

    Yue, Xinan; Schreiner, William S.; Kuo, Ying-Hwa; Hunt, Douglas C.; Wang, Wenbin; Solomon, Stanley C.; Burns, Alan G.; Bilitza, Dieter; Liu, Jann-Yenq; Wan, Weixing; Wickert, Jens

    2012-09-01

    We report preliminary results of a global 3-D ionospheric electron density reanalysis demonstration study during 2002-2011 based on multisource data assimilation. The monthly global ionospheric electron density reanalysis has been done by assimilating the quiet days ionospheric data into a data assimilation model constructed using the International Reference Ionosphere (IRI) 2007 model and a Kalman filter technique. These data include global navigation satellite system (GNSS) observations of ionospheric total electron content (TEC) from ground-based stations, ionospheric radio occultations by CHAMP, GRACE, COSMIC, SAC-C, Metop-A, and the TerraSAR-X satellites, and Jason-1 and 2 altimeter TEC measurements. The output of the reanalysis are 3-D gridded ionospheric electron densities with temporal and spatial resolutions of 1 h in universal time, 5° in latitude, 10° in longitude, and ˜30 km in altitude. The climatological features of the reanalysis results, such as solar activity dependence, seasonal variations, and the global morphology of the ionosphere, agree well with those in the empirical models and observations. The global electron content derived from the international GNSS service global ionospheric maps, the observed electron density profiles from the Poker Flat Incoherent Scatter Radar during 2007-2010, and foF2 observed by the global ionosonde network during 2002-2011 are used to validate the reanalysis method. All comparisons show that the reanalysis have smaller deviations and biases than the IRI-2007 predictions. Especially after April 2006 when the six COSMIC satellites were launched, the reanalysis shows significant improvement over the IRI predictions. The obvious overestimation of the low-latitude ionospheric F region densities by the IRI model during the 23/24 solar minimum is corrected well by the reanalysis. The potential application and improvements of the reanalysis are also discussed.

  14. Development of multi-layer crystal detector and related front end electronics

    NASA Astrophysics Data System (ADS)

    Cardarelli, R.; Di Ciaccio, A.; Paolozzi, L.

    2014-05-01

    A crystal (diamond) particle detector has been developed and tested, whose constitute elements are a multi-layer polycrystalline diamond and a pick-up system capable of collecting in parallel the charge produced in the layers. The charge is read with a charge-to-voltage amplifier (5-6 mV/fC) realized with bipolar junction transistors in order to minimize the effect of the detector capacitance. The tests performed with cosmic rays and at the beam test facility of Frascati with 500 MeV electrons in single electron mode operation have shown that a detector with 4-5 layers of 250 μm thickness each and 9 mm2 active area exhibits an upper limit of 150 ps time resolution for minimum ionizing particles at an operating voltage of about 350 V.

  15. Temporal and spatial deviation in F2 peak parameters derived from FORMOSAT-3/COSMIC

    NASA Astrophysics Data System (ADS)

    Kumar, Sanjay; Singh, R. P.; Tan, Eng Leong; Singh, A. K.; Ghodpage, R. N.; Siingh, Devendraa

    2016-06-01

    The plasma frequency profiles derived from the Constellation of Observing System for Meteorology, Ionosphere and Climate (COSMIC) radio occultation measurements are compared with ground-based ionosonde data during the year 2013. Equatorial and midlatitude five stations located in the Northern and Southern Hemisphere are considered: Jicamarca, Jeju, Darwin, Learmonth, and Juliusruh. The aim is to validate the COSMIC-derived data with ground-based measurements and to estimate the difference in plasma frequency (which represents electron density) and height of F2 layer peak during the daytime/nighttime and during different seasons by comparing the two data sets. Analysis showed that the nighttime data are better correlated than the daytime, and the maximum difference occurs at the equatorial ionospheric anomaly (EIA) station as compared to lower and midlatitude stations during the equinox months. The difference between daytime and nighttime correlations becomes insignificant at midlatitude stations. The statistical analysis of computed errors in foF2 (hmF2) showed Gaussian nature with the most probable error range of ±15% (±10%) at the equatorial and EIA stations, ±9% (±7%) outside the EIA region which reduced to ±8% (±6%) at midlatitude stations. The reduction in error at midlatitudes is attributed to the decrease in latitudinal electron density gradients. Comparing the analyzed data during the three geomagnetic storms and quiet days of the same months, it is observed that the differences are significantly enhanced during storm periods and the magnitude of difference in foF2 increases with the intensity of geomagnetic storm.

  16. Measurement of the electron structure function F2e at LEP energies

    NASA Astrophysics Data System (ADS)

    Abdallah, J.; Abreu, P.; Adam, W.; Adzic, P.; Albrecht, T.; Alemany-Fernandez, R.; Allmendinger, T.; Allport, P. P.; Amaldi, U.; Amapane, N.; Amato, S.; Anashkin, E.; Andreazza, A.; Andringa, S.; Anjos, N.; Antilogus, P.; Apel, W.-D.; Arnoud, Y.; Ask, S.; Asman, B.; Augustin, J. E.; Augustinus, A.; Baillon, P.; Ballestrero, A.; Bambade, P.; Barbier, R.; Bardin, D.; Barker, G. J.; Baroncelli, A.; Battaglia, M.; Baubillier, M.; Becks, K.-H.; Begalli, M.; Behrmann, A.; Belous, K.; Ben-Haim, E.; Benekos, N.; Benvenuti, A.; Berat, C.; Berggren, M.; Bertrand, D.; Besancon, M.; Besson, N.; Bloch, D.; Blom, M.; Bluj, M.; Bonesini, M.; Boonekamp, M.; Booth, P. S. L.; Borisov, G.; Botner, O.; Bouquet, B.; Bowcock, T. J. V.; Boyko, I.; Bracko, M.; Brenner, R.; Brodet, E.; Bruckman, P.; Brunet, J. M.; Buschbeck, B.; Buschmann, P.; Calvi, M.; Camporesi, T.; Canale, V.; Carena, F.; Castro, N.; Cavallo, F.; Chapkin, M.; Charpentier, Ph.; Checchia, P.; Chierici, R.; Chliapnikov, P.; Chudoba, J.; Chung, S. U.; Cieslik, K.; Collins, P.; Contri, R.; Cosme, G.; Cossutti, F.; Costa, M. J.; Crennell, D.; Cuevas, J.; D'Hondt, J.; da Silva, T.; da Silva, W.; Della Ricca, G.; de Angelis, A.; de Boer, W.; de Clercq, C.; de Lotto, B.; de Maria, N.; de Min, A.; de Paula, L.; di Ciaccio, L.; di Simone, A.; Doroba, K.; Drees, J.; Eigen, G.; Ekelof, T.; Ellert, M.; Elsing, M.; Espirito Santo, M. C.; Fanourakis, G.; Fassouliotis, D.; Feindt, M.; Fernandez, J.; Ferrer, A.; Ferro, F.; Flagmeyer, U.; Foeth, H.; Fokitis, E.; Fulda-Quenzer, F.; Fuster, J.; Gandelman, M.; Garcia, C.; Gavillet, Ph.; Gazis, E.; Gokieli, R.; Golob, B.; Gomez-Ceballos, G.; Gonçalves, P.; Graziani, E.; Grosdidier, G.; Grzelak, K.; Guy, J.; Haag, C.; Hallgren, A.; Hamacher, K.; Hamilton, K.; Haug, S.; Hauler, F.; Hedberg, V.; Hennecke, M.; Hoffman, J.; Holmgren, S.-O.; Holt, P. J.; Houlden, M. A.; Jackson, J. N.; Jarlskog, G.; Jarry, P.; Jeans, D.; Johansson, E. K.; Jonsson, P.; Joram, C.; Jungermann, L.; Kapusta, F.; Katsanevas, S.; Katsoufis, E.; Kernel, G.; Kersevan, B. P.; Kerzel, U.; King, B. T.; Kjaer, N. J.; Kluit, P.; Kokkinias, P.; Kourkoumelis, C.; Kouznetsov, O.; Krumstein, Z.; Kucharczyk, M.; Lamsa, J.; Leder, G.; Ledroit, F.; Leinonen, L.; Leitner, R.; Lemonne, J.; Lepeltier, V.; Lesiak, T.; Liebig, W.; Liko, D.; Lipniacka, A.; Lopes, J. H.; Lopez, J. M.; Loukas, D.; Lutz, P.; Lyons, L.; MacNaughton, J.; Malek, A.; Maltezos, S.; Mandl, F.; Marco, J.; Marco, R.; Marechal, B.; Margoni, M.; Marin, J.-C.; Mariotti, C.; Markou, A.; Martinez-Rivero, C.; Masik, J.; Mastroyiannopoulos, N.; Matorras, F.; Matteuzzi, C.; Mazzucato, F.; Mazzucato, M.; Mc Nulty, R.; Meroni, C.; Migliore, E.; Mitaroff, W.; Mjoernmark, U.; Moa, T.; Moch, M.; Moenig, K.; Monge, R.; Montenegro, J.; Moraes, D.; Moreno, S.; Morettini, P.; Mueller, U.; Muenich, K.; Mulders, M.; Mundim, L.; Murray, W.; Muryn, B.; Myatt, G.; Myklebust, T.; Nassiakou, M.; Navarria, F.; Nawrocki, K.; Nemecek, S.; Nicolaidou, R.; Nikolenko, M.; Oblakowska-Mucha, A.; Obraztsov, V.; Olshevski, A.; Onofre, A.; Orava, R.; Osterberg, K.; Ouraou, A.; Oyanguren, A.; Paganoni, M.; Paiano, S.; Palacios, J. P.; Palka, H.; Papadopoulou, Th. D.; Pape, L.; Parkes, C.; Parodi, F.; Parzefall, U.; Passeri, A.; Passon, O.; Peralta, L.; Perepelitsa, V.; Perrotta, A.; Petrolini, A.; Piedra, J.; Pieri, L.; Pierre, F.; Pimenta, M.; Piotto, E.; Podobnik, T.; Poireau, V.; Pol, M. E.; Polok, G.; Pozdniakov, V.; Pukhaeva, N.; Pullia, A.; Radojicic, D.; Rebecchi, P.; Rehn, J.; Reid, D.; Reinhardt, R.; Renton, P.; Richard, F.; Ridky, J.; Rivero, M.; Rodriguez, D.; Romero, A.; Ronchese, P.; Roudeau, P.; Rovelli, T.; Ruhlmann-Kleider, V.; Ryabtchikov, D.; Sadovsky, A.; Salmi, L.; Salt, J.; Sander, C.; Savoy-Navarro, A.; Schwickerath, U.; Sekulin, R.; Siebel, M.; Sisakian, A.; Slominski, W.; Smadja, G.; Smirnova, O.; Sokolov, A.; Sopczak, A.; Sosnowski, R.; Spassov, T.; Stanitzki, M.; Stocchi, A.; Strauss, J.; Stugu, B.; Szczekowski, M.; Szeptycka, M.; Szumlak, T.; Szwed, J.; Tabarelli, T.; Tegenfeldt, F.; Timmermans, J.; Tkatchev, L.; Tobin, M.; Todorovova, S.; Tomé, B.; Tonazzo, A.; Tortosa, P.; Travnicek, P.; Treille, D.; Tristram, G.; Trochimczuk, M.; Troncon, C.; Turluer, M.-L.; Tyapkin, I. A.; Tyapkin, P.; Tzamarias, S.; Uvarov, V.; Valenti, G.; van Dam, P.; van Eldik, J.; van Remortel, N.; van Vulpen, I.; Vegni, G.; Veloso, F.; Venus, W.; Verdier, P.; Verzi, V.; Vilanova, D.; Vitale, L.; Vrba, V.; Wahlen, H.; Washbrook, A. J.; Weiser, C.; Wicke, D.; Wickens, J.; Wilkinson, G.; Winter, M.; Witek, M.; Yushchenko, O.; Zalewska, A.; Zalewski, P.; Zavrtanik, D.; Zhuravlov, V.; Zimin, N. I.; Zintchenko, A.; Zupan, M.; Delphi Collaboration

    2014-10-01

    The hadronic part of the electron structure function F2e has been measured for the first time, using e+e- data collected by the DELPHI experiment at LEP, at centre-of-mass energies of √{ s} = 91.2- 209.5 GeV. The data analysis is simpler than that of the measurement of the photon structure function. The electron structure function F2e data are compared to predictions of phenomenological models based on the photon structure function. It is shown that the contribution of large target photon virtualities is significant. The data presented can serve as a cross-check of the photon structure function F2γ analyses and help in refining existing parameterisations.

  17. Study of electronic sputtering of CaF2 thin films

    NASA Astrophysics Data System (ADS)

    Pandey, Ratnesh K.; Kumar, Manvendra; Khan, Saif A.; Kumar, Tanuj; Tripathi, Ambuj; Avasthi, D. K.; Pandey, Avinash C.

    2014-01-01

    In the present work thin films of CaF2 deposited on Si substrate by electron beam evaporation have been investigated for swift heavy ions induced sputtering and surface modifications. Glancing angle X-ray Diffraction (GAXRD) measurements show that the pristine films are polycrystalline in nature and the grain size increases with increase in film thickness. Rutherford backscattering spectrometry (RBS) of pristine as well as irradiated films was performed to determine the sputter yield of CaF2 and a decrease in sputter yield has been observed with increase in film thickness. Thermal spike model has been applied to explain this. The confinement of energy in the grains having size smaller than the electron mean free path (λ) results in a higher sputtering yield. Atomic force microscopy (AFM) studies of irradiated CaF2 thin films show formation of cracks on film surface at a fluence of 5 × 1012 ions/cm2. Also RBS results confirm the removal of film from the surface and more exposure of substrate with increasing dose of ions.

  18. Highly conductive electrospun carbon nanofiber/MnO2 coaxial nano-cables for high energy and power density supercapacitors

    NASA Astrophysics Data System (ADS)

    Zhi, Mingjia; Manivannan, Ayyakkannu; Meng, Fanke; Wu, Nianqiang

    2012-06-01

    This paper presents highly conductive carbon nanofiber/MnO2 coaxial cables in which individual electrospun carbon nanofibers are coated with an ultrathin hierarchical MnO2 layer. In the hierarchical MnO2 structure, an around 4 nm thick sheath surrounds the carbon nanofiber (CNF) in a diameter of 200 nm, and nano-whiskers grow radically outward from the sheath in view of the cross-section of the coaxial cables, giving a high specific surface area of MnO2. The CNFs are synthesized by electrospinning a precursor containing iron acetylacetonate (AAI). The addition of AAI not only enlarges the specific surface area of the CNF but also greatly enhances their electronic conductivity, which leads to a dramatic improvement in the specific capacitance and the rate capability of the CNF/MnO2 electrode. The AAI-CNF/MnO2 electrode shows a specific capacitance of 311 F g-1 for the whole electrode and 900 F g-1 for the MnO2 shell at a scan rate of 2 mV s-1. Good cycling stability, high energy density (80.2 Wh kg-1) and high power density (57.7 kW kg-1) are achieved. This work indicates that high electronic conductivity of the electrode material is crucial to achieving high power and energy density for pseudo-supercapacitors.

  19. KrF laser pumping by electron beam discharge

    NASA Astrophysics Data System (ADS)

    Bonnet, J.; Fournier, G.; Pigache, D.

    1981-09-01

    The pumping of excimer lasers used in nuclear fusion and isotope separation is considered. Homogeneous ionization with an electron beam permitted discharge pumping of a KrF laser with a discharge-energy/beam-energy ratio 5. This high value is obtained to the detriment of an energy density and an efficiency which are about half the best values obtained under other conditions. This result does not modify a recent conclusion indicating that an electron beam controlled discharge has no significant advantage over a pure electron beam as regards pumping high energy KrF lasers at high repetition rate.

  20. Intrinsic electron traps in atomic-layer deposited HfO{sub 2} insulators

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Cerbu, F.; Madia, O.; Afanas'ev, V. V.

    2016-05-30

    Analysis of photodepopulation of electron traps in HfO{sub 2} films grown by atomic layer deposition is shown to provide the trap energy distribution across the entire oxide bandgap. The presence is revealed of two kinds of deep electron traps energetically distributed at around E{sub t} ≈ 2.0 eV and E{sub t} ≈ 3.0 eV below the oxide conduction band. Comparison of the trapped electron energy distributions in HfO{sub 2} layers prepared using different precursors or subjected to thermal treatment suggests that these centers are intrinsic in origin. However, the common assumption that these would implicate O vacancies cannot explain the charging behaviormore » of HfO{sub 2}, suggesting that alternative defect models should be considered.« less

  1. Gate-Induced Metal–Insulator Transition in MoS 2 by Solid Superionic Conductor LaF 3

    DOE PAGES

    Wu, Chun-Lan; Yuan, Hongtao; Li, Yanbin; ...

    2018-03-23

    Electric-double-layer (EDL) gating with liquid electrolyte has been a powerful tool widely used to explore emerging interfacial electronic phenomena. Due to the large EDL capacitance, a high carrier density up to 10 14 cm –2 can be induced, directly leading to the realization of field-induced insulator to metal (or superconductor) transition. However, the liquid nature of the electrolyte has created technical issues including possible side electrochemical reactions or intercalation, and the potential for huge strain at the interface during cooling. In addition, the liquid coverage of active devices also makes many surface characterizations and in situ measurements challenging. Here, wemore » demonstrate an all solid-state EDL device based on a solid superionic conductor LaF 3, which can be used as both a substrate and a fluorine ionic gate dielectric to achieve a wide tunability of carrier density without the issues of strain or electrochemical reactions and can expose the active device surface for external access. Based on LaF 3 EDL transistors (EDLTs), we observe the metal–insulator transition in MoS 2. Interestingly, the well-defined crystal lattice provides a more uniform potential distribution in the substrate, resulting in less interface electron scattering and therefore a higher mobility in MoS 2 transistors. Finally, this result shows the powerful gating capability of LaF 3 solid electrolyte for new possibilities of novel interfacial electronic phenomena.« less

  2. The gluon density of the proton at low x from a QCD analysis of F2

    NASA Astrophysics Data System (ADS)

    Aid, S.; Andreev, V.; Andrieu, B.; Appuhn, R.-D.; Arpagaus, M.; Babaev, A.; Baehr, J.; Bán, J.; Ban, Y.; Baranov, P.; Barrelet, E.; Barschke, R.; Bartel, W.; Barth, M.; Bassler, U.; Beck, H. P.; Behrend, H.-J.; Belousov, A.; Berger, Ch.; Bernardi, G.; Bernet, R.; Bertrand-Coremans, G.; Besançon, M.; Beyer, R.; Biddulph, P.; Bispham, P.; Bizot, J. C.; Blobel, V.; Borras, K.; Botterweck, F.; Boudry, V.; Braemer, A.; Brasse, F.; Braunschweig, W.; Brisson, V.; Bruncko, D.; Brune, C.; Buchholz, R.; Büngener, L.; Bürger, J.; Büsser, F. W.; Buniatian, A.; Burke, S.; Burton, M.; Buschhorn, G.; Campbell, A. J.; Carli, T.; Charles, F.; Charlet, M.; Clarke, D.; Clegg, A. B.; Clerbaux, B.; Colombo, M.; Contreras, J. G.; Cormack, C.; Coughlan, J. A.; Courau, A.; Coutures, Ch.; Cozzika, G.; Criegee, L.; Cussans, D. G.; Cvach, J.; Dagoret, S.; Dainton, J. B.; Dau, W. D.; Daum, K.; David, M.; Delcourt, B.; Del Buono, L.; De Roeck, A.; De Wolf, E. A.; Di Nezza, P.; Dollfus, C.; Dowell, J. D.; Dreis, H. B.; Droutskoi, A.; Duboc, J.; Düllmann, D.; Dünger, O.; Duhm, H.; Ebert, J.; Ebert, T. R.; Eckerlin, G.; Efremenko, V.; Egli, S.; Ehrlichmann, H.; Eichenberger, S.; Eichler, R.; Eisele, F.; Eisenhandler, E.; Ellison, R. J.; Elsen, E.; Erdmann, M.; Erdmann, W.; Evrard, E.; Favart, L.; Fedotov, A.; Feeken, D.; Felst, R.; Feltesse, J.; Ferencei, J.; Ferrarotto, F.; Flamm, K.; Fleischer, M.; Flieser, M.; Flügge, G.; Fomenko, A.; Fominykh, B.; Forbush, M.; Formánek, J.; Foster, J. M.; Franke, G.; Fretwurst, E.; Gabathuler, E.; Gabathuler, K.; Gamerdinger, K.; Garvey, J.; Gayler, J.; Gebauer, M.; Gellrich, A.; Genzel, H.; Gerhards, R.; Goerlach, U.; Goerlich, L.; Gogitidze, N.; Goldberg, M.; Goldner, D.; Gonzalez-Pineiro, B.; Gorelov, I.; Goritchev, P.; Grab, C.; Grässler, H.; Grässler, R.; Greenshaw, T.; Grindhammer, G.; Gruber, A.; Gruber, C.; Haack, J.; Haidt, D.; Hajduk, L.; Hamon, O.; Hampel, M.; Hanlon, E. M.; Hapke, M.; Haynes, W. J.; Heatherington, J.; Heinzelmann, G.; Henderson, R. C. W.; Henschel, H.; Herynek, I.; Hess, M. F.; Hildesheim, W.; Hill, P.; Hiller, K. H.; Hilton, C. D.; Hladký, J.; Hoeger, K. C.; Höppner, M.; Horisberger, R.; Hudgson, V. L.; Huet, Ph.; Hütte, M.; Hufnagel, H.; Ibbotson, M.; Itterbeck, H.; Jabiol, M.-A.; Jacholkowska, A.; Jacobsson, C.; Jaffre, M.; Janoth, J.; Jansen, T.; Jönsson, L.; Johnson, D. P.; Johnson, L.; Jung, H.; Kalmus, P. I. P.; Kant, D.; Kaschowitz, R.; Kasselmann, P.; Kathage, U.; Katzy, J.; Kaufmann, H. H.; Kazarian, S.; Kenyon, I. R.; Kermiche, S.; Keuker, C.; Kiesling, C.; Klein, M.; Kleinwort, C.; Knies, G.; Ko, W.; Köhler, T.; Köhne, J. H.; Kolanoski, H.; Kole, F.; Kolya, S. D.; Korbel, V.; Korn, M.; Kostka, P.; Kotelnikov, S. K.; Krämerkämper, T.; Krasny, M. W.; Krehbiel, H.; Krücker, D.; Krüger, U.; Krüner-Marquis, U.; Kubenka, J. P.; Küster, H.; Kuhlen, M.; Kurča, T.; Kurzhöfer, J.; Kuznik, B.; Lacour, D.; Lamarche, F.; Lander, R.; Landon, M. P. J.; Lange, W.; Lanius, P.; Laporte, J.-F.; Lebedev, A.; Leverenz, C.; Levonian, S.; Ley, Ch.; Lindner, A.; Lindström, G.; Link, J.; Linsel, F.; Lipinski, J.; List, B.; Lobo, G.; Loch, P.; Lohmander, H.; Lomas, J.; Lopez, G. C.; Lubimov, V.; Lüke, D.; Magnussen, N.; Malinovski, E.; Mani, S.; Maraček, R.; Marage, P.; Marks, J.; Marshall, R.; Martens, J.; Martin, R.; Martyn, H.-U.; Martyniak, J.; Masson, S.; Mavroidis, T.; Maxfield, S. J.; McMahon, S. J.; Mehta, A.; Meier, K.; Mercer, D.; Merz, T.; Meyer, C. A.; Meyer, H.; Meyer, J.; Migliori, A.; Mikocki, S.; Milstead, D.; Moreau, F.; Morris, J. V.; Mroczko, E.; Müller, G.; Müller, K.; Murín, P.; Nagovizin, V.; Nahnhauer, R.; Naroska, B.; Naumann, Th.; Newman, P. R.; Newton, D.; Neyret, D.; Nguyen, H. K.; Nicholls, T. C.; Niebergall, F.; Niebuhr, C.; Niedzballa, Ch.; Nisius, R.; Nowak, G.; Noyes, G. W.; Nyberg-Werther, M.; Oakden, M.; Oberlack, H.; Obrock, U.; Olsson, J. E.; Ozerov, D.; Panaro, E.; Panitch, A.; Pascaud, C.; Patel, G. D.; Peppel, E.; Perez, E.; Phillips, J. P.; Pichler, Ch.; Pieuchot, A.; Pitzl, D.; Pope, G.; Prell, S.; Prosi, R.; Rabbertz, K.; Rädel, G.; Raupach, F.; Reimer, P.; Reinshagen, S.; Ribarics, P.; Rick, H.; Riech, V.; Riedlberger, J.; Riess, S.; Rietz, M.; Rizvi, E.; Robertson, S. M.; Robmann, P.; Roloff, H. E.; Roosen, R.; Rosenbauer, K.; Rostovtsev, A.; Rouse, F.; Royon, C.; Rüter, K.; Rusakov, S.; Rybicki, K.; Rylko, R.; Sahlmann, N.; Sanchez, E.; Sankey, D. P. C.; Schacht, P.; Schiek, S.; Schleper, P.; von Schlippe, W.; Schmidt, C.; Schmidt, D.; Schmidt, G.; Schöning, A.; Schröder, V.; Schuhmann, E.; Schwab, B.; Schwind, A.; Sefkow, F.; Seidel, M.; Sell, R.; Semenov, A.; Shekelyan, V.; Sheviakov, I.; Shooshtari, H.; Shtarkov, L. N.; Siegmon, G.; Siewert, U.; Sirois, Y.; Skillicorn, I. O.; Smirnov, P.; Smith, J. R.; Solochenko, V.; Soloviev, Y.; Spiekermann, J.; Spielman, S.; Spitzer, H.; Starosta, R.; Steenbock, M.; Steffen, P.; Steinberg, R.; Stella, B.; Stephens, K.; Stier, J.; Stiewe, J.; Stösslein, U.; Stolze, K.; Strachota, J.; Straumann, U.; Struczinski, W.; Sutton, J. P.; Tapprogge, S.; Tchernyshov, V.; Thiebaux, C.; Thompson, G.; Truöl, P.; Turnau, J.; Tutas, J.; Uelkes, P.; Usik, A.; Valkár, S.; Valkárová, A.; Vallée, C.; Van Esch, P.; Van Mechelen, P.; Vartapetian, A.; Vazdik, Y.; Verrecchia, P.; Villet, G.; Wacker, K.; Wagener, A.; Wagener, M.; Walker, I. W.; Walther, A.; Weber, G.; Weber, M.; Wegener, D.; Wegner, A.; Wellisch, H. P.; West, L. R.; Willard, S.; Willard, S.; Winde, M.; Winter, G.-G.; Wittek, C.; Wright, A. E.; Wünsch, E.; Wulff, N.; Yiou, T. P.; Žáček, J.; Zarbock, D.; Zhang, Z.; Zhokin, A.; Zimmer, M.; Zimmermann, W.; Zomer, F.; Zuber, K.; H1 Collaboration

    1995-02-01

    We present a QCD analysis of the proton structure function F2 measured by the H1 experiment at HERA, combined with data from previous fixed target experiments. The gluon density is extracted from the scaling violations of F2 in the range 2 · 10 -4 < x < 3 · 10 -2 and compared with an approximate solution of the QCD evolution equations. The gluon density is found to rise steeply with decreasing x.

  3. Measurement of density and temperature in a hypersonic turbulent boundary layer using the electron beam fluorescence technique. Ph.D. Thesis. Final Report, 1 Oct. 1969 - 1 Sep. 1972

    NASA Technical Reports Server (NTRS)

    Mcronald, A. D.

    1975-01-01

    Mean density and temperature fluctuations were measured across the turbulent, cooled-wall boundary layer in a continuous hypersonic (Mach 9.4) wind tunnel in air, using the nitrogen fluorescence excited by a 50 kV electron beam. Data were taken at three values of the tunnel stagnation pressure, the corresponding free stream densities being equivalent to 1.2, 4.0, and 7.4 torr at room temperature, and the boundary layer thicknesses about 4.0, 4.5, and 6.0 inches. The mean temperature and density profiles were similar to those previously determined in the same facility by conventional probes (static and pitot pressure, total temperature). A static pressure variation of about 50% across the boundary layer was found, the shape of the variation changing somewhat for the three stagnation pressure levels. The quadrupole model for rotational temperature spectra gave closer agreement with the free stream isentropic level (approximately 44 K) than the dipole model.

  4. Development of high energy density electrical double layer capacitors

    NASA Astrophysics Data System (ADS)

    Devarajan, Thamarai selvi

    potential at 1mA/cm 2. A brief study on non-polar co-solvents for EDLC was studied. Among the solvents studied, fluorinated solvents had low melting point and viscosity due to incorporation of asymmetry. However, because of low dielectric constant, TEABF4 is insoluble and had to be mixed with other solvents. The mixed fluorinated solvents had slightly higher voltage window due to decreased donicity of lone pairs of electrons. The second approach to increasing energy density is to increase capacitance. Capacitance is mainly dependent on surface area and porosity of electrodes. Nanostructured materials which can offer multiple charge storage are currently of interest. Hence, novel NiSi nanotubes were studied as electrodes for supercapacitor applications. Silicon material has high capacity and these inert electrodes can enable higher capacitance by controlling the porosity and functional groups in specific electrolytes. The Silicon wafers were made porous by anodization using hydrofluoric acid. In order to improve the conductivity, the porous silicon was doped, then plated with Ni using electroless plating method and annealed to form nickel mono silicide. Gold was deposited on the back side of the electrode to enhance conductivity. Our porous NiSi electrodes gave capacitance of about 1185muF /cm2 in 0.5 M H 2SO4. Further investigation of oxide formation and modification of functional groups will help achieve higher capacitance.

  5. Balancing the Electron and Hole Transfer for Efficient Quantum Dot Light-Emitting Diodes by Employing a Versatile Organic Electron-Blocking Layer.

    PubMed

    Jin, Xiao; Chang, Chun; Zhao, Weifeng; Huang, Shujuan; Gu, Xiaobing; Zhang, Qin; Li, Feng; Zhang, Yubao; Li, Qinghua

    2018-05-09

    The electron-blocking layer (EBL) is important to balance the charge carrier transfer and achieve highly efficient quantum dot light-emitting diodes (QLEDs). Here, we report the utilization of a soluble tert-butyldimethylsilyl chloride-modified poly( p-phenylene benzobisoxazole) (TBS-PBO) as an EBL for simultaneous good charge carrier transfer balance while maintaining a high current density. We show that the versatile TBS-PBO blocks excess electron injection into the quantum dots (QDs), thus leading to better charge carrier transfer balance. It also restricts the undesired QD-to-EBL electron-transfer process, which preserves the superior emission capabilities of the emitter. As a consequence, the TBS-PBO device delivers an external quantum efficiency (EQE) maximum of 16.7% along with a remarkable current density as high as 139 mA/cm 2 with a brightness of 5484 cd/m 2 . The current density of our device is higher than those of insulator EBL-based devices because of the higher conductivity of the TBS-PBO versus insulator EBL, thus helping achieve high luminance values ranging from 1414 to 20 000 cd/cm 2 with current densities ranging from 44 to 648 mA/cm 2 and EQE > 14%. We believe that these unconventional features of the present TBS-PBO-based QLEDs will expand the wide use of TBS-PBO as buffer layers in other advanced QLED applications.

  6. CO2 Plasma-Treated TiO2 Film as an Effective Electron Transport Layer for High-Performance Planar Perovskite Solar Cells.

    PubMed

    Wang, Kang; Zhao, Wenjing; Liu, Jia; Niu, Jinzhi; Liu, Yucheng; Ren, Xiaodong; Feng, Jiangshan; Liu, Zhike; Sun, Jie; Wang, Dapeng; Liu, Shengzhong Frank

    2017-10-04

    Perovskite solar cells (PSCs) have received great attention because of their excellent photovoltaic properties especially for the comparable efficiency to silicon solar cells. The electron transport layer (ETL) is regarded as a crucial medium in transporting electrons and blocking holes for PSCs. In this study, CO 2 plasma generated by plasma-enhanced chemical vapor deposition (PECVD) was introduced to modify the TiO 2 ETL. The results indicated that the CO 2 plasma-treated compact TiO 2 layer exhibited better surface hydrophilicity, higher conductivity, and lower bulk defect state density in comparison with the pristine TiO 2 film. The quality of the stoichiometric TiO 2 structure was improved, and the concentration of oxygen-deficiency-induced defect sites was reduced significantly after CO 2 plasma treatment for 90 s. The PSCs with the TiO 2 film treated by CO 2 plasma for 90 s exhibited simultaneously improved short-circuit current (J SC ) and fill factor. As a result, the PSC-based TiO 2 ETL with CO 2 plasma treatment affords a power conversion efficiency of 15.39%, outperforming that based on pristine TiO 2 (13.54%). These results indicate that the plasma treatment by the PECVD method is an effective approach to modify the ETL for high-performance planar PSCs.

  7. Profiles of Ionospheric Storm-enhanced Density during the 17 March 2015 Great Storm

    NASA Astrophysics Data System (ADS)

    Liu, J.; Wang, W.; Burns, A. G.; Yue, X.; Zhang, S.; Zhang, Y.

    2015-12-01

    Ionospheric F2 region peak densities (NmF2) are expected to show a positive phase correlation with total electron content (TEC), and electron density is expected to have an anti-correlation with electron temperature near the ionospheric F2 peak. However, we show that, during the 17 March 2015 great storm, TEC and F2 region electron density peak height (hmF2) over Millstone Hill increased, but the F2 region electron density peak (NmF2) decreased significantly during the storm-enhanced density (SED) phase of the storm compared with the quiet-time ionosphere. This SED occurred where there was a negative ionospheric storm near the F2 peak and below it. The weak ionosphere below the F2 peak resulted in much reduced downward heat conduction for the electrons, trapping the heat in the topside. This, in turn, increased the topside scale height, so that, even though electron densities at the F2 peak were depleted, TEC increased in the SED. The depletion in NmF2 was probably caused by an increase in the density of the molecular neutrals, resulting in enhanced recombination. In addition, the storm-time topside ionospheric electron density profile was much closer to diffusive equilibrium than non-storm time profile because of less daytime plasma flow from the ionosphere to the plasmasphere.

  8. Observation of warm, higher energy electrons transiting a double layer in a helicon plasma

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sung, Yung-Ta, E-mail: ysung2@wisc.edu; Li, Yan; Scharer, John E.

    2015-03-15

    Measurements of an inductive RF helicon argon plasma double layer with two temperature electron distributions including a fast (>80 eV) tail are observed at 0.17 mTorr Ar pressure. The fast, untrapped electrons observed downstream of the double layer have a higher temperature (13 eV) than the trapped (T{sub e} = 4 eV) electrons. The reduction of plasma potential and density observed in the double layer region would require an upstream temperature ten times the measured 4 eV if occurring via Boltzmann ambipolar expansion. The experimental observation in Madison helicon experiment indicates that fast electrons with substantial density fractions can be created at low helicon operating pressures.

  9. Few-layered Ni(OH)2 nanosheets for high-performance supercapacitors

    NASA Astrophysics Data System (ADS)

    Sun, Wenping; Rui, Xianhong; Ulaganathan, Mani; Madhavi, Srinivasan; Yan, Qingyu

    2015-11-01

    Few-layered Ni(OH)2 nanosheets (4-5 nm in thickness) are synthesized towards high-performance supercapacitors. The ultrathin Ni(OH)2 nanosheets show high specific capacitance and good rate capability in both three-electrode and asymmetric devices. In the three-electrode device, the Ni(OH)2 nanosheets deliver a high capacitance of 2064 F g-1 at 2 A g-1, and the capacitance still has a retention of 1837 F g-1 at a high current density of 20 A g-1. Such excellent performance is by far one of the best for Ni(OH)2 electrodes. In the two-electrode asymmetric device, the specific capacitance is 248 F g-1 at 1 A g-1, and reaches 113 F g-1 at 20 A g-1. The capacitance of the asymmetric device maintains to be 166 F g-1 during the 4000th cycle at 2 A g-1, suggesting good cycling stability of the device. Besides, the asymmetric device exhibits gravimetric energy density of 22 Wh kg-1 at a power density of 0.8 kW kg-1. The present results demonstrate that the ultrathin Ni(OH)2 nanosheets are highly attractive electrode materials for achieving fast charging/discharging and high-capacity supercapacitors.

  10. Mechanically delaminated few layered MoS2 nanosheets based high performance wire type solid-state symmetric supercapacitors

    NASA Astrophysics Data System (ADS)

    Krishnamoorthy, Karthikeyan; Pazhamalai, Parthiban; Veerasubramani, Ganesh Kumar; Kim, Sang Jae

    2016-07-01

    Two dimensional nanostructures are increasingly used as electrode materials in flexible supercapacitors for portable electronic applications. Herein, we demonstrated a ball milling approach for achieving few layered molybdenum disulfide (MoS2) via exfoliation from their bulk. Physico-chemical characterizations such as X-ray diffraction, field emission scanning electron microscope, and laser Raman analyses confirmed the occurrence of exfoliated MoS2 sheets with few layers from their bulk via ball milling process. MoS2 based wire type solid state supercapacitors (WSCs) are fabricated and examined using cyclic voltammetry (CV), electrochemical impedance spectroscopy, and galvanostatic charge discharge (CD) measurements. The presence of rectangular shaped CV curves and symmetric triangular shaped CD profiles suggested the mechanism of charge storage in MoS2 WSC is due to the formation of electrochemical double layer capacitance. The MoS2 WSC device delivered a specific capacitance of 119 μF cm-1, and energy density of 8.1 nW h cm-1 with better capacitance retention of about 89.36% over 2500 cycles, which ensures the use of the ball milled MoS2 for electrochemical energy storage devices.

  11. On the possible use of radio occultation middle latitude electron density profiles to retrieve thermospheric parameters

    NASA Astrophysics Data System (ADS)

    Mikhailov, Andrei V.; Belehaki, Anna; Perrone, Loredanna; Zolesi, Bruno; Tsagouri, Ioanna

    2014-04-01

    This paper investigates possible use of middle latitude daytime COSMIC and CHAMP ionospheric radio occultation (IRO) electron density profiles (EDPs) to retrieve thermospheric parameters, based on the Mikhailov et al. (2012) method. The aim of this investigation is to assess the applicability of this type of observations for the routine implementation of the method. According to the results extracted from the analysis presented here, about half of COSMIC IRO EDP observed under solar minimum (2007-2008) conditions gave neutral gas density with an inaccuracy close to the declared absolute inaccuracy ±(10-15)% of CHAMP observations, with the results being better than the empirical models JB-2008 and MSISE-00 provide. For the other half of IRO EDP, either the solution provided by the method had to be rejected due to insufficient accuracy or no solution could be obtained. For these cases, the parameters foF2 and hmF2 extracted from the corresponding IRO profiles have been found to be inconsistent with the classic mid-latitude daytime F2-layer formalism that the method relies on, and they are incompatible with the general trend provided by the IRI model. For solar maximum conditions (2002) the method was tested with IRO EDP from CHAMP and it is indicated that its performance is quite stable in the sense that a solution could be obtained for all the cases analyzed here. However available CHAMP EDP are confined by ~ 400 km in altitude and this might be the reason for the 20% bias of the retrieved densities toward larger values in respect to the observed densities. IRO observations up to 600 km under solar maximum are required to confirm the exact performance of the method.

  12. The characteristics of a possible low altitude electron layer in the Martian atmosphere. M.S. Thesis - George Washington Univ.

    NASA Technical Reports Server (NTRS)

    Wallio, H. A.

    1973-01-01

    The apparent diurnal Martian surface pressure variation, as deduced from radio occultation experiments, is discussed and explained as possibly arising from the effect of a low altitude electron layer. Possible source and loss mechanisms for the low altitude electron layer are presented and discussed. Time-dependent differential equations describing the electron layer are derived and then integrated to investigate the electron distribution resulting from the several processes that might occur in the atmosphere. It is concluded that the source mechanism is the sublimation of alkali atoms from a permanent dust layer (a dust layer of 0.2 micron particles of density 9/cu cm is sufficient), and that the dominant loss process must involve CO2 clustering to the alkali atoms. Using these processes, an electron layer is developed which would explain the apparent diurnal surface pressure.

  13. Direct comparison of Viking 2.3-GHz signal phase fluctuation and columnar electron density between 2 and 160 solar radii

    NASA Technical Reports Server (NTRS)

    Berman, A. L.; Wackley, J. A.; Hietzke, W. H.

    1982-01-01

    The relationship between solar wind induced signal phase fluctuation and solar wind columnar electron density has been the subject of intensive analysis during the last two decades. In this article, a sizeable volume of 2.3-GHz signal phase fluctuation and columnar electron density measurements separately and concurrently inferred from Viking spacecraft signals are compared as a function of solar geometry. These data demonstrate that signal phase fluctuation and columnar electron density are proportional over a very wide span of solar elongation angle. A radially dependent electron density model which provides a good fit to the columnar electron density measurements and, when appropriately scaled, to the signal phase fluctuation measurements, is given. This model is also in good agreement with K-coronameter observations at 2 solar radii (2r0), with pulsar time delay measurements at 10r0, and with spacecraft in situ electron density measurements at 1 AU.

  14. Facile preparation, optical and electrochemical properties of layer-by-layer V2O5 quadrate structures

    NASA Astrophysics Data System (ADS)

    Zhang, Yifu; Zheng, Jiqi; Wang, Qiushi; Hu, Tao; Tian, Fuping; Meng, Changgong

    2017-03-01

    Layer-by-layer V2O5 structures self-assembly by quadrate sheets like "multilayer cake" were successfully synthesized using NH4VO3 as the vanadium sources by a facile hydrothermal route and combination of the calcination. The structure and composition were characterized by field emission scanning electron microscopy, energy-dispersive X-ray spectrometer, X-ray powder diffraction, Raman and Fourier transform infrared spectroscopy. The optical properties of the as-obtained V2O5 layer-by-layer structures were investigated by the Ultraviolet-visible spectroscopy and photoluminescence spectrum. The electrochemical properties of the as-obtained V2O5 layer-by-layer structures as electrodes in supercapacitor device were measured by cyclic voltammetry (CV) and galvanostatic charge-discharge (GCD) both in the aqueous and organic electrolyte. The specific capacitance is 347 F g-1 at 1 A g-1 in organic electrolyte, which is improved by 46% compared with 238 F g-1 in aqueous electrolyte. During the cycle performance, the specific capacitances of V2O5 layer-by-layer structures after 100 cycles are 30% and 82% of the initial discharge capacity in the aqueous and organic electrolyte, respectively, indicating the cycle performance is significantly improved in organic electrolyte. Our results turn out that layer-by-layer V2O5 structures are an ideal material for supercapacitor electrode in the present work.

  15. TiO2 reinforced PMMA-TiO2 nanocomposite for its application in organic light emitting diode (OLED) as electron transport layer material

    NASA Astrophysics Data System (ADS)

    Kandulna, R.; Choudhary, R. B.; Singh, R.

    2018-04-01

    PMMA, TiO2 and PMMA-TiO2 nanocomposite were successfully synthesized in the laboratory via free radical polymerization process. The formation of PMMA corresponding change in the nanostructure with the embodiment of TiO2 nanofillers was confirmed by X-ray diffraction technique (XRD) analysis. Irregular tetragonal bipyramidal arrangement of TiO2 was formed within the spherical type structure of PMMA polymeric matrix, as examined by the surface morphological image. Relatively higher electron-hole non-radiative recombination of PMMA-TiO2 nanocomposite corresponded to blue-violet band, blue band, and green band was examined from PL spectra. An enhanced current density ˜ 165 % was observed with significantly improved p-type conductivity for PMMA-TiO2 nanocomposite. The improved specific capacitance with high dielectric constant and high electron-hole recombination rate confirmed that it can possibly use as electron transport layer material in the OLED devices fabrication.

  16. Observations of the electron density perturbation in the cusp irregularities during the ICI-2 campaign

    NASA Astrophysics Data System (ADS)

    Abe, Takumi; Moen, J. I.

    The ICI-2 (Investigation of Cusp Irregularities-2) sounding rocket campaign was conducted in Svalbard, Norway on December 2008. The scientific objective of ICI-2 is to investigate genera-tion mechanism(s) of coherent HF radar backscatter targets. Strong coherent HF backscatter echoes are well-known phenomena in the polar ionospheric cusp, and are thought to result from field-aligned plasma irregularities with decameter scale length. However, the generation mech-anism of backscatter targets has not yet been understood, and even the altitude profile of HF cusp backscatter is unknown. The ICI-2 rocket was launched at 10:35:10 UT at Ny-˚lesund, A and reached an apogee of 330 km at about 5 minutes after the launch. All onboard systems functioned flawlessly. A comprehensive measurement of the electron density, low energy elec-tron flux, medium energy particle flux, AC and DC electric fields was conducted to exploit the potential role of the gradient drift instability versus the other suggested mechanisms. We present a result obtained from a Fixed-Biased Probe (FBP) which was aimed at measuring fine-scale (< 1 m) electron density perturbation. Our analysis of the FBP data during the rocket's flight indicates that the rocket traversed HF backscatter regions where the electron density perturbation is relatively large. The power spectrum analysis of the electron density shows that the amplitude increases not only in the decameter wavelength but also in the broad range of frequency. Characteristic features of the electron density perturbation are summarized as follows: 1) A strong perturbation of the electron density was observed by the FBP when the ICI-2 rocket passed through a front side of the poleward moving 630 nm emission region which was identified by the all-sky imager. This means that the electron density perturbation and the 630 nm emission are observed to coexist in the same region. 2) The absolute value of the electron density becomes larger in the disturbed

  17. PdSe2: Pentagonal Two-Dimensional Layers with High Air Stability for Electronics.

    PubMed

    Oyedele, Akinola D; Yang, Shize; Liang, Liangbo; Puretzky, Alexander A; Wang, Kai; Zhang, Jingjie; Yu, Peng; Pudasaini, Pushpa R; Ghosh, Avik W; Liu, Zheng; Rouleau, Christopher M; Sumpter, Bobby G; Chisholm, Matthew F; Zhou, Wu; Rack, Philip D; Geohegan, David B; Xiao, Kai

    2017-10-11

    Most studied two-dimensional (2D) materials exhibit isotropic behavior due to high lattice symmetry; however, lower-symmetry 2D materials such as phosphorene and other elemental 2D materials exhibit very interesting anisotropic properties. In this work, we report the atomic structure, electronic properties, and vibrational modes of few-layered PdSe 2 exfoliated from bulk crystals, a pentagonal 2D layered noble transition metal dichalcogenide with a puckered morphology that is air-stable. Micro-absorption optical spectroscopy and first-principles calculations reveal a wide band gap variation in this material from 0 (bulk) to 1.3 eV (monolayer). The Raman-active vibrational modes of PdSe 2 were identified using polarized Raman spectroscopy, and a strong interlayer interaction was revealed from large, thickness-dependent Raman peak shifts, agreeing with first-principles Raman simulations. Field-effect transistors made from the few-layer PdSe 2 display tunable ambipolar charge carrier conduction with a high electron field-effect mobility of ∼158 cm 2 V -1 s -1 , indicating the promise of this anisotropic, air-stable, pentagonal 2D material for 2D electronics.

  18. PdSe 2: Pentagonal Two-Dimensional Layers with High Air Stability for Electronics

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Oyedele, Akinola D.; Yang, Shize; Liang, Liangbo

    Most studied two-dimensional (2D) materials exhibit isotropic behavior due to high lattice symmetry; however, lower-symmetry 2D materials such as phosphorene and other elemental 2D materials exhibit very interesting anisotropic properties. In this work, we report the atomic structure, electronic properties, and vibrational modes of few-layered PdSe 2, exfoliated from bulk crystals, a pentagonal 2D layered noble transition metal dichalcogenide with a puckered morphology that is air-stable. Micro-absorption optical spectroscopy and first-principles calculations reveal a wide band gap variation in this material from ~0 (bulk) to ~1.3 eV (monolayer). The Raman active vibrational modes of PdSe 2 were identified using polarizedmore » Raman spectroscopy, and the strong interlayer interaction was revealed from the large thickness-dependent Raman peak shifts, agreeing with first-principles Raman simulations. Field-effect transistors made from the few-layer PdSe 2 display tunable ambipolar charge carrier conduction with a high electron apparent field-effect mobility of ~158 cm 2V -1s -1, indicating the promise of this anisotropic, air-stable, pentagonal 2D material for 2D electronics.« less

  19. PdSe 2: Pentagonal Two-Dimensional Layers with High Air Stability for Electronics

    DOE PAGES

    Oyedele, Akinola D.; Yang, Shize; Liang, Liangbo; ...

    2017-09-05

    Most studied two-dimensional (2D) materials exhibit isotropic behavior due to high lattice symmetry; however, lower-symmetry 2D materials such as phosphorene and other elemental 2D materials exhibit very interesting anisotropic properties. In this work, we report the atomic structure, electronic properties, and vibrational modes of few-layered PdSe 2, exfoliated from bulk crystals, a pentagonal 2D layered noble transition metal dichalcogenide with a puckered morphology that is air-stable. Micro-absorption optical spectroscopy and first-principles calculations reveal a wide band gap variation in this material from ~0 (bulk) to ~1.3 eV (monolayer). The Raman active vibrational modes of PdSe 2 were identified using polarizedmore » Raman spectroscopy, and the strong interlayer interaction was revealed from the large thickness-dependent Raman peak shifts, agreeing with first-principles Raman simulations. Field-effect transistors made from the few-layer PdSe 2 display tunable ambipolar charge carrier conduction with a high electron apparent field-effect mobility of ~158 cm 2V -1s -1, indicating the promise of this anisotropic, air-stable, pentagonal 2D material for 2D electronics.« less

  20. Frictional Heating of Ions In The F2-region of The Ionosphere

    NASA Astrophysics Data System (ADS)

    Zhizhko, G. O.; Vlasov, V. G.

    Auroral electron beams unstable on the Cherenkov resonance are stabilized by large- scale inhomogeneity of the plasma density during all their way from the acceleration region to the E-region of the ionosphere. The generation of plasma waves by beam is possible only in the region of small plasma density gradients, that always is the area of the F2-region maximum. Thus, collective dissipation of the electron beam energy occurs in the local region with the length about several tens of kilometers. This leads to the intensive heating of the electrons(up to temperatures about 10000 K) and will give origin to the ion upflows with velocity about 1 km/s and density about 109 cm-2 s-1. These flows can result in the ion frictional heating. At the same time ion temperatures reach the values about 5000 K. A numerical simulation of the ion frictional heating in the presence of collective elec- tron heating in the high-latitude F2-region of the ionosphere was performed. The sim- ulation has shown that the most critical parameter for the occurence of the ion fric- tional heating was the the steepness of the plasma density profile above the F2-region maximum.

  1. Causes of the mid-latitudinal daytime NmF2 semi-annual anomaly at solar minimum

    NASA Astrophysics Data System (ADS)

    Pavlov, A. V.

    2018-04-01

    Ionospheric ionosonde and radar observations and theoretical calculations of the F2-layer peak altitude, hmF2, and number density, NmF2, over Millstone Hill during winter, spring, summer, and autumn geomagnetically quiet time periods at low solar activity are used to study the causes of the observed daytime NmF2 semi-annual anomaly. It follows from the model simulations that this anomalous phenomenon arises in the ionosphere mainly as a result of seasonal variations of the following atmospheric parameters: (1) the plasma drift along geomagnetic field lines due to corresponding changes in neutral wind components, (2) temperature and number densities of the neutral atmosphere, and (3) an optical thickness of the atmosphere caused by the dependence of the solar zenith angle on the day of the year for the same solar local time. Seasonal variations of the production rate unexcited O+ ions due to chemical reactions involving electronically excited O+ ions contribute to the formation of the NmF2 semi-annual anomaly during the predominant part of the existence time of this anomalous phenomenon. However, these seasonal variations are not significant, and this mechanism should be considered only as an additional source of the NmF2 semi-annual anomaly during its time of existence. The reactions of unexcited O+ ions with vibrationally excited N2 and O2 cause only weak changes of NmF2 and these changes are close in magnitude at a given solar local time during the winter, spring, summer, and autumn daytime conditions under consideration. Ignoring these reactions cannot produce a significant impact on the formation of the NmF2 semi-annual anomaly.

  2. SOVRaD - A Digest of Recent Soviet R and D Articles. Volume 2, Number 2, 1976

    DTIC Science & Technology

    1976-02-01

    34""" ■■■I"" ^"■’ " """"^ R-F Heating of Sporadic E-Layer (abstract) Effects of ionospheric heating by powerful r-f emission on the sporadic E-layers are...situation is just the reverse. Here heating by powerful r-f fields decreases its electron density and increases its thickness. At mean latitudes...T - 2, it decreases by 18% [Ignat’yev, Yu. A. Effect on the sporadic E-layer of ionospheric heating by powerful r-f emission. IVUZ

  3. Accurate multireference calculations of the electronic structure of TiF 2 and TiCl 2

    NASA Astrophysics Data System (ADS)

    Vogel, M.; Wenzel, W.

    2005-09-01

    We report a systematic study of the electronic structure of two members of the transition metal dihalide family, TiF 2 and TiCl 2. Using the configuration interaction method in large basis sets we investigated the lowest 15 states of TiF 2 and TiCl 2. We report bond lengths, frequencies and dissociation energies of both molecules. For TiF 2 we found a near degeneracy of the ground and the first excited state with a possible breakdown of the Born-Oppenheimer approximation.

  4. Structural, morphological and optical investigations on electron-beam irradiated PbF2-TeO2-B2O3-Eu2O3 glasses

    NASA Astrophysics Data System (ADS)

    Wagh, Akshatha; Petwal, Vikash; Dwivedi, Jishnu; Upadhyaya, V.; Raviprakash, Y.; Kamath, Sudha D.

    2016-09-01

    Combined structural, optical and morphological studies were carried out on Eu2O3 doped PbF2-TeO2-B2O3 glass samples, before and after being subjected to electron beam of energy 7.5 MeV. XRD confirmed the amorphous nature of the glasses even after 150 kGy electron beam irradiation. Densities of the irradiated samples showed slightly greater values when compared to their respective values before irradiation, which proved the increase in the compaction of the network. The intensities of the three prominent bands; B-O-B linkages, BO4 units and BO3 units of FT-IR spectra, of the titled glasses, showed slight decrease after electron beam irradiation. The decrement in the values of energy band gap and shift in cut-off wavelength towards red edge, proved the formation of color centers in the glass network after irradiation. The change in Hunter L values, through color measurement was a proof for the Farbe/color/absorption centers created in the glass sites after irradiation.

  5. Cu(In,Ga)Se2 Solar Cells with Amorphous In2O3-Based Front Contact Layers.

    PubMed

    Koida, Takashi; Ueno, Yuko; Nishinaga, Jiro; Higuchi, Hirohumi; Takahashi, Hideki; Iioka, Masayuki; Shibata, Hajime; Niki, Shigeru

    2017-09-06

    Amorphous (a-) In 2 O 3 -based front contact layers composed of transparent conducting oxide (TCO) and transparent oxide semiconductor (TOS) layers were proved to be effective in enhancing the short-circuit current density (J sc ) of Cu(In,Ga)Se 2 (CIGS) solar cells with a glass/Mo/CIGS/CdS/TOS/TCO structure, while maintaining high fill factor (FF) and open-circuit voltage (V oc ). An n-type a-In-Ga-Zn-O layer was introduced between the CdS and TCO layers. Unlike unintentionally doped ZnO broadly used as TOS layers in CIGS solar cells, the grain-boundary(GB)-free amorphous structure of the a-In-Ga-Zn-O layers allowed high electron mobility with superior control over the carrier density (N). High FF and V oc values were achieved in solar cells containing a-In-Ga-Zn-O layers with N values broadly ranging from 2 × 10 15 to 3 × 10 18 cm -3 . The decrease in FF and V oc produced by the electronic inhomogeneity of solar cells was mitigated by controlling the series resistance within the TOS layer of CIGS solar cells. In addition, a-In 2 O 3 :H and a-In-Zn-O layers exhibited higher electron mobilities than the ZnO:Al layers conventionally used as TCO layers in CIGS solar cells. The In 2 O 3 -based layers exhibited lower free carrier absorption while maintaining similar sheet resistance than ZnO:Al. The TCO and TOS materials and their combinations did not significantly change the V oc of the CIGS solar cells and the mini-modules.

  6. Electron collisions with F2CO molecules

    NASA Astrophysics Data System (ADS)

    Freitas, Thiago Corrêa; Barbosa, Alessandra Souza; Bettega, Márcio Henrique Franco

    2017-07-01

    In this paper we present elastic differential, integral, and momentum-transfer cross sections for electron collisions with carbonyl fluoride (F2CO ) molecules for the incident electron's energy from 0.5 eV to 20 eV. The Schwinger multichannel method with pseudopotentials was employed to obtain the cross sections in the static-exchange and static-exchange plus polarization approximations. The present results were compared with the available data in the literature, in particular, with the results of Kaur, Mason, and Antony [Phys. Rev. A 92, 052702 (2015), 10.1103/PhysRevA.92.052702] for the differential, total, and momentum-transfer cross sections. We have found a π* shape resonance centered at 2.6 eV in the B1 symmetry and other resonance, in the B2 symmetry, located at around 9.7 eV. A systematic study of the inclusion of polarization effects was performed in order to have a well balanced description of this negative-ion transient state. The effects of the long-range electric dipole potential were included by the Born closure scheme. Electronic structure calculations were also performed to help in the interpretation of the scattering results, and associate the transient states to the unoccupied orbitals.

  7. Effect of density gradients in confined supersonic shear layers. Part 2: 3-D modes

    NASA Astrophysics Data System (ADS)

    Peroomian, Oshin; Kelly, R. E.

    1994-11-01

    The effect of basic flow density gradients on the supersonic wall modes were investigated in Part 1 of this analysis. In that investigation only the 2-D modes were studied. Tam and Hu investigated the 3-D modes in a confined vortex sheet and reported that the first 2-D Class A mode (A01) had the highest growth rate compared to all other 2-D and 3-D modes present in the vortex sheet for that particular set of flow patterns. They also showed that this result also held true for finite thickness shear layers with delta(sub w) less than 0.125. For free shear layers, Sandham and Reynolds showed that the 3-D K-H mode became the dominant mode for M(sub c) greater than 0.6. Jackson and Grosch investigated the effect of crossflow and obliqueness on the slow and fast odes present in a M(sub c) greater than 1 environment and showed that for certain combination of crossflow and wave angles the growth rates could be increased by up to a factor of 2 with respect to the 2-D case. The case studied here is a confined shear layer shown in Part 1. All solution procedures and basic low profiles are the same as in Part 1. The effect of density gradients on the 3-D modes present in the density ratios considered in Part 1 are investigated.

  8. Electronic energy density in chemical reaction systems

    NASA Astrophysics Data System (ADS)

    Tachibana, Akitomo

    2001-08-01

    The energy of chemical reaction is visualized in real space using the electronic energy density nE(r⃗) associated with the electron density n(r⃗). The electronic energy density nE(r⃗) is decomposed into the kinetic energy density nT(r⃗), the external potential energy density nV(r⃗), and the interelectron potential energy density nW(r⃗). Using the electronic energy density nE(r⃗) we can pick up any point in a chemical reaction system and find how the electronic energy E is assigned to the selected point. We can then integrate the electronic energy density nE(r⃗) in any region R surrounding the point and find out the regional electronic energy ER to the global E. The kinetic energy density nT(r⃗) is used to identify the intrinsic shape of the reactants, the electronic transition state, and the reaction products along the course of the chemical reaction coordinate. The intrinsic shape is identified with the electronic interface S that discriminates the region RD of the electronic drop from the region RA of the electronic atmosphere in the density distribution of the electron gas. If the R spans the whole space, then the integral gives the total E. The regional electronic energy ER in thermodynamic ensemble is realized in electrochemistry as the intrinsic Volta electric potential φR and the intrinsic Herring-Nichols work function ΦR. We have picked up first a hydrogen-like atom for which we have analytical exact expressions of the relativistic kinetic energy density nTM(r⃗) and its nonrelativistic version nT(r⃗). These expressions are valid for any excited bound states as well as the ground state. Second, we have selected the following five reaction systems and show the figures of the nT(r⃗) as well as the other energy densities along the intrinsic reaction coordinates: a protonation reaction to He, addition reactions of HF to C2H4 and C2H2, hydrogen abstraction reactions of NH3+ from HF and NH3. Valence electrons possess their unique

  9. Electron-positron momentum density in Tl 2Ba 2CuO 6

    NASA Astrophysics Data System (ADS)

    Barbiellini, B.; Gauthier, M.; Hoffmann, L.; Jarlborg, T.; Manuel, A. A.; Massidda, S.; Peter, M.; Triscone, G.

    1994-08-01

    We present calculations of the electron-positron momentum density for the high- Tc superconductor Tl 2Ba 2CuO 6, together with some preliminary two-dimensional angular correlation of the annihilation radiation (2D-ACAR) measurements. The calculations are based on the first-principles electronic structure obtained using the full-potential linearized augmented plane wave (FLAPW) and the linear muffin-tin orbital (LMTO) methods. We also use a linear combination of the atomic orbitals-molecular orbital method (LCAO-MO) to discuss orbital contributions to the anisotropies. Some agreement between calculated and measured 2D-ACAR anisotropies encourage sample improvement for further Fermi surface investigations. Indeed, our results indicate a non-negligle overlap of the positron wave function with the CuOo 2 plane electrons. Therefore, this compound may be well suited for investigating the relevant CuO 2 Fermi surface by 2D-ACAR.

  10. Layer structured bismuth selenides Bi2Se3 and Bi3Se4 for high energy and flexible all-solid-state micro-supercapacitors.

    PubMed

    Hao, Chunxue; Wang, Lidan; Wen, Fusheng; Xiang, Jianyong; Li, Lei; Hu, Wentao; Liu, Zhongyuan

    2018-01-19

    In this work, bismuth selenides (Bi 2 Se 3 and Bi 3 Se 4 ), both of which have a layered rhombohedral crystal structure, have been found to be useful as electrode materials for supercapacitor applications. In a liquid electrolyte system (6M KOH), Bi 2 Se 3 nanoplates exhibit much better performance as an electrode material than Bi 3 Se 4 nanoparticles do, delivering a higher specific capacitance (272.9 F g -1 ) than that of Bi 3 Se 4 (193.6 F g -1 ) at 5 mV s -1 . This result may be attributed to the fact that Bi 2 Se 3 nanoplates possess more active electrochemical surfaces for the reversible surface redox reactions owing to their planar quintuple stacked layers (septuple layers for Bi 3 Se 4 ). To meet the demands of electronic skin, we used a novel flexible annular interdigital structure electrode to support the all-solid-state micro-supercapacitors (AMSCs). The Bi 2 Se 3 AMSC device delivers a much better supercapacitor performance, exhibits a large stack capacitance of 89.5 F cm -3 at 20 mV s -1 (Bi 3 Se 4 : 79.1 F cm -3 ), a high energy density of 17.9 mWh cm -3 and a high power density of 18.9 W cm -3 . The bismuth selenides also exhibit good cycle stability, with 95.5% retention after 1000 c for Bi 2 Se 3 (Bi 3 Se 4 :90.3%). Clearly, Bi 2 Se 3 nanoplates can be promising electrode materials for flexible annular interdigital AMSCs.

  11. Layer structured bismuth selenides Bi2Se3 and Bi3Se4 for high energy and flexible all-solid-state micro-supercapacitors

    NASA Astrophysics Data System (ADS)

    Hao, Chunxue; Wang, Lidan; Wen, Fusheng; Xiang, Jianyong; Li, Lei; Hu, Wentao; Liu, Zhongyuan

    2018-02-01

    In this work, bismuth selenides (Bi2Se3 and Bi3Se4), both of which have a layered rhombohedral crystal structure, have been found to be useful as electrode materials for supercapacitor applications. In a liquid electrolyte system (6M KOH), Bi2Se3 nanoplates exhibit much better performance as an electrode material than Bi3Se4 nanoparticles do, delivering a higher specific capacitance (272.9 F g-1) than that of Bi3Se4 (193.6 F g-1) at 5 mV s-1. This result may be attributed to the fact that Bi2Se3 nanoplates possess more active electrochemical surfaces for the reversible surface redox reactions owing to their planar quintuple stacked layers (septuple layers for Bi3Se4). To meet the demands of electronic skin, we used a novel flexible annular interdigital structure electrode to support the all-solid-state micro-supercapacitors (AMSCs). The Bi2Se3 AMSC device delivers a much better supercapacitor performance, exhibits a large stack capacitance of 89.5 F cm-3 at 20 mV s-1 (Bi3Se4: 79.1 F cm-3), a high energy density of 17.9 mWh cm-3 and a high power density of 18.9 W cm-3. The bismuth selenides also exhibit good cycle stability, with 95.5% retention after 1000 c for Bi2Se3 (Bi3Se4:90.3%). Clearly, Bi2Se3 nanoplates can be promising electrode materials for flexible annular interdigital AMSCs.

  12. Enhanced electrochemical properties of F-doped Li2MnSiO4/C for lithium ion batteries

    NASA Astrophysics Data System (ADS)

    Wang, Chao; Xu, Youlong; Sun, Xiaofei; Zhang, Baofeng; Chen, Yanjun; He, Shengnan

    2018-02-01

    The Li2MnSiO4 as a novel cathode material for lithium ion batteries, performs high specific capacity, high thermal stability, low cost and etc. However, it suffers from relatively low electronic conductivity and lithium ion diffusion rate. Herein, we successfully introduce fluorine to Li2MnSiO4 (Li2MnSiO4-xFx, x = 0.00, 0.01, 0.03 and 0.05) to overcome these obstacles. The results show that F doping not only enlarges the lattice parameters but also decreases the particle size, synergistically improving the lithium ion diffusion of Li2MnSiO4. Moreover, F doping increase electronic conductivity of Li2MnSiO4/C by inhibiting the formation of C-O bonds in the carbon layers. Meanwhile, F doping improves the crystallinity and stabilizes the crystal structure of Li2MnSiO4. Finally, the Li2MnSiO3.97F0.03/C with the best electrochemical performances delivers the initial specific discharge capacity of 279 mA h g-1 at 25mA g-1 current density from 1.5 V to 4.8 V. Also, it maintains a higher capacity (201 mA h g-1) than F-free Li2MnSiO4 (145 mA h g-1) after 50 cycles.

  13. Enhancement of electron injection in inverted bottom-emitting organic light-emitting diodes using Al/LiF compound thin film

    NASA Astrophysics Data System (ADS)

    Nie, Qu-yang; Zhang, Fang-hui

    2018-05-01

    The inverted bottom-emitting organic light-emitting devices (IBOLEDs) were prepared, with the structure of ITO/Al ( x nm)/LiF (1 nm)/Bphen (40 nm)/CBP: GIr1 (14%):R-4b (2%) (10 nm)/BCP (3 nm)/CBP:GIr1 (14%):R-4b (2%) (20 nm)/TCTA (10 nm)/NPB (40 nm)/MoO3 (40 nm)/Al (100 nm), where the thickness of electron injection layer Al ( x) are 0 nm, 2 nm, 3 nm, 4 nm and 5 nm, respectively. In this paper, the electron injection condition and luminance properties of inverted devices were investigated by changing the thickness of Al layer in Al/LiF compound thin film. It turns out that the introduction of Al layer can improve electron injection of the devices dramatically. Furthermore, the device exerts lower driving voltage and higher current efficiency when the thickness of electron injection Al layer is 3 nm. For example, the current efficiency of the device with 3-nm-thick Al layer reaches 19.75 cd·A-1 when driving voltage is 7 V, which is 1.24, 1.17 and 17.03 times larger than those of the devices with 2 nm, 4 nm and 5 nm Al layer, respectively. The device property reaches up to the level of corresponding conventional device. In addition, all inverted devices with electron injection Al layer show superior stability of color coordinate due to the adoption of co-evaporation emitting layer and BCP spacer-layer, and the color coordinate of the inverted device with 3-nm-thick Al layer only changes from (0.580 6, 0.405 6) to (0.532 8, 0.436 3) when driving voltage increases from 6 V to 10 V.

  14. Electron spin polarization by isospin ordering in correlated two-layer quantum Hall systems.

    PubMed

    Tiemann, L; Wegscheider, W; Hauser, M

    2015-05-01

    Enhancement of the electron spin polarization in a correlated two-layer, two-dimensional electron system at a total Landau level filling factor of 1 is reported. Using resistively detected nuclear magnetic resonance, we demonstrate that the electron spin polarization of two closely spaced two-dimensional electron systems becomes maximized when interlayer Coulomb correlations establish spontaneous isospin ferromagnetic order. This correlation-driven polarization dominates over the spin polarizations of competing single-layer fractional quantum Hall states under electron density imbalances.

  15. Anisotropic charge density wave in layered 1 T - TiS e 2

    DOE PAGES

    Qiao, Qiao; Zhou, Songsong; Tao, Jing; ...

    2017-10-04

    We present a three-dimensional study on the anisotropy of the charge density wave (CDW) in 1T-TiSe 2, by means of in situ atomically resolved electron microscopy at cryogenic temperatures in both reciprocal and real spaces. Using coherent nanoelectron diffraction, we observed short-range coherence of the in-plane CDW component while the long-range coherence of out-of-plane CDW component remains intact. An in-plane CDW coherence length of ~10 nm and an out-of-plane CDW coherence length of 17.5 nm, as a lower bound, were determined. The electron modulation was observed using electron energy-loss spectroscopy and verified by an orbital-projected density of states. Our integratedmore » approach reveals anisotropic CDW domains at the nanoscale, and illustrates electron modulation-induced symmetry breaking of a two-dimensional material in three dimensions, offering an opportunity to study the effect of reduced dimensionality in strongly correlated systems.« less

  16. Electron-acoustic solitons and double layers in the inner magnetosphere: ELECTRON-ACOUSTIC SOLITONS

    DOE PAGES

    Vasko, I. Y.; Agapitov, O. V.; Mozer, F. S.; ...

    2017-05-28

    The Van Allen Probes observe generally two types of electrostatic solitary waves (ESW) contributing to the broadband electrostatic wave activity in the nightside inner magnetosphere. ESW with symmetric bipolar parallel electric field are electron phase space holes. The nature of ESW with asymmetric bipolar (and almost unipolar) parallel electric field has remained puzzling. To address their nature, we consider a particular event observed by Van Allen Probes to argue that during the broadband wave activity electrons with energy above 200 eV provide the dominant contribution to the total electron density, while the density of cold electrons (below a few eV)more » is less than a few tenths of the total electron density. We show that velocities of the asymmetric ESW are close to velocity of electron-acoustic waves (existing due to the presence of cold and hot electrons) and follow the Korteweg-de Vries (KdV) dispersion relation derived for the observed plasma conditions (electron energy spectrum is a power law between about 100 eV and 10 keV and Maxwellian above 10 keV). The ESW spatial scales are in general agreement with the KdV theory. We interpret the asymmetric ESW in terms of electron-acoustic solitons and double layers (shocks waves).« less

  17. Electron-acoustic solitons and double layers in the inner magnetosphere: ELECTRON-ACOUSTIC SOLITONS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Vasko, I. Y.; Agapitov, O. V.; Mozer, F. S.

    The Van Allen Probes observe generally two types of electrostatic solitary waves (ESW) contributing to the broadband electrostatic wave activity in the nightside inner magnetosphere. ESW with symmetric bipolar parallel electric field are electron phase space holes. The nature of ESW with asymmetric bipolar (and almost unipolar) parallel electric field has remained puzzling. To address their nature, we consider a particular event observed by Van Allen Probes to argue that during the broadband wave activity electrons with energy above 200 eV provide the dominant contribution to the total electron density, while the density of cold electrons (below a few eV)more » is less than a few tenths of the total electron density. We show that velocities of the asymmetric ESW are close to velocity of electron-acoustic waves (existing due to the presence of cold and hot electrons) and follow the Korteweg-de Vries (KdV) dispersion relation derived for the observed plasma conditions (electron energy spectrum is a power law between about 100 eV and 10 keV and Maxwellian above 10 keV). The ESW spatial scales are in general agreement with the KdV theory. We interpret the asymmetric ESW in terms of electron-acoustic solitons and double layers (shocks waves).« less

  18. Optical properties of YbF3-CaF2 composite thin films deposited by electron-beam evaporation

    NASA Astrophysics Data System (ADS)

    Wang, Songlin; Mi, Gaoyuan; Zhang, Jianfu; Yang, Chongmin

    2018-03-01

    We studied electron-beam evaporated YbF3-CaF2 composite films on ZnS substrate at different deposition parameters. The optical properties of films have been fitted, the surface roughness have been measured by AFM. The results of experiments indicated that increased the refractive indices, extinction coefficients, and surface roughness at higher deposition rate. The refractive index of composite film deposited by electron-beam evaporation with assisted-ion source was obviously higher than it without assisted-ion source.

  19. Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems

    NASA Astrophysics Data System (ADS)

    Sun, Jianwei; Perdew, John P.; Yang, Zenghui; Peng, Haowei

    2016-05-01

    The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively charged background, and the latter only one electron bound to the proton. The uniform electron gas was used to derive the local spin density approximation to the exchange-correlation functional that undergirds the development of the Kohn-Sham density functional theory. We show here that the ground-state exchange-correlation energies of the hydrogen atom and many other 1- and 2-electron systems are modeled surprisingly well by a different local spin density approximation (LSDA0). LSDA0 is constructed to satisfy exact constraints but agrees surprisingly well with the exact results for a uniform two-electron density in a finite, curved three-dimensional space. We also apply LSDA0 to excited or noded 1-electron densities, where it works less well. Furthermore, we show that the localization of the exact exchange hole for a 1- or 2-electron ground state can be measured by the ratio of the exact exchange energy to its optimal lower bound.

  20. Proposed suitable electron reflector layer materials for thin-film CuIn1-xGaxSe2 solar cells

    NASA Astrophysics Data System (ADS)

    Sharbati, Samaneh; Gharibshahian, Iman; Orouji, Ali A.

    2018-01-01

    This paper investigates the electrical properties of electron reflector layer to survey materials as an electron reflector (ER) for chalcopyrite CuInGaSe solar cells. The purpose is optimizing the conduction-band and valence-band offsets at ER layer/CIGS junction that can effectively reduce the electron recombination near the back contact. In this work, an initial device model based on an experimental solar cell is established, then the properties of a solar cell with electron reflector layer are physically analyzed. The electron reflector layer numerically applied to baseline model of thin-film CIGS cell fabricated by ZSW (efficiency = 20.3%). The improvement of efficiency is achievable by electron reflector layer materials with Eg > 1.3 eV and -0.3 < Δχ < 0.7, depends on bandgap. Our simulations examine various electron reflector layer materials and conclude the most suitable electron reflector layer for this real CIGS solar cells. ZnSnP2, CdSiAs2, GaAs, CdTe, Cu2ZnSnS4, InP, CuO, Pb10Ag3Sb11S28, CuIn5S8, SnS, PbCuSbS3, Cu3AsS4 as well as CuIn1-xGaxSe (x > 0.5) are efficient electron reflector layer materials, so the potential improvement in efficiency obtained relative gain of 5%.

  1. Multiple density layered insulator

    DOEpatents

    Alger, Terry W.

    1994-01-01

    A multiple density layered insulator for use with a laser is disclosed wh provides at least two different insulation materials for a laser discharge tube, where the two insulation materials have different thermoconductivities. The multiple layer insulation materials provide for improved thermoconductivity capability for improved laser operation.

  2. Electron density determination and bonding in tetragonal binary intermetallics by convergent beam electron diffraction

    NASA Astrophysics Data System (ADS)

    Sang, Xiahan

    Intermetallics offer unique property combinations often superior to those of more conventional solid solution alloys of identical composition. Understanding of bonding in intermetallics would greatly accelerate development of intermetallics for advanced and high performance engineering applications. Tetragonal intermetallics L10 ordered TiAl, FePd and FePt are used as model systems to experimentally measure their electron densities using quantitative convergent beam electron diffraction (QCBED) method and then compare details of the 3d-4d (FePd) and 3d-5d (FePt) electron interactions to elucidate their role on properties of the respective ferromagnetic L10-ordered intermetallics FePd and FePt. A new multi-beam off-zone axis condition QCBED method has been developed to increase sensitivity of CBED patterns to change of structure factors and the anisotropic Debye-Waller (DW) factors. Unprecedented accuracy and precision in structure and DW factor measurements has been achieved by acquiring CBED patterns using beam-sample geometry that ensures strong dynamical interaction between the fast electrons and the periodic potential in the crystalline samples. This experimental method has been successfully applied to diamond cubic Si, and chemically ordered B2 cubic NiAl, tetragonal L10 ordered TiAl and FePd. The accurate and precise experimental DW and structure factors for L10 TiAl and FePd allow direct evaluation of computer calculations using the current state of the art density functional theory (DFT) based electron structure modeling. The experimental electron density difference map of L1 0 TiAl shows that the DFT calculations describe bonding to a sufficient accuracy for s- and p- electrons interaction, e. g., the Al-layer. However, it indicate significant quantitative differences to the experimental measurements for the 3d-3d interactions of the Ti atoms, e.g. in the Ti layers. The DFT calculations for L10 FePd also show that the current DFT approximations

  3. Density functional studies of the defect-induced electronic structure modifications in bilayer boronitrene

    NASA Astrophysics Data System (ADS)

    Ukpong, A. M.; Chetty, N.

    2012-05-01

    The van der Waals interaction-corrected density functional theory is used in this study to investigate the formation, energetic stability, and inter-layer cohesion in bilayer hexagonal boronitrene. The effect of inter-layer separation on the electronic structure is systematically investigated. The formation and energetic stability of intrinsic defects are also investigated at the equilibrium inter-layer separation. It is found that nonstoichiometric defects, and their complexes, that induce excess nitrogen or excess boron, in each case, are relatively more stable in the atmosphere that corresponds to the excess atomic species. The modifications of the electronic structure due to formation of complexes are also investigated. It is shown that van der Waals density functional theory gives an improved description of the cohesive properties but not the electronic structure in bilayer boronitrene compared to other functionals. We identify energetically favourable topological defects that retain the energy gap in the electronic structure, and discuss their implications for band gap engineering in low-n layer boronitrene insulators. The relative strengths and weaknesses of the functionals in predicting the properties of bilayer boronitrene are also discussed.

  4. Electronic-structure calculations of praseodymium metal by means of modified density-functional theory

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Svane, A.; Trygg, J.; Johansson, B.

    1997-09-01

    Electronic-structure calculations of elemental praseodymium are presented. Several approximations are used to describe the Pr f electrons. It is found that the low-pressure, trivalent phase is well described using either the self-interaction corrected (SIC) local-spin-density (LSD) approximation or the generalized-gradient approximation (GGA) with spin and orbital polarization (OP). In the SIC-LSD approach the Pr f electrons are treated explicitly as localized with a localization energy given by the self-interaction of the f orbital. In the GGA+OP scheme the f-electron localization is described by the onset of spin and orbital polarization, the energetics of which is described by spin-moment formation energymore » and a term proportional to the total orbital moment, L{sub z}{sup 2}. The high-pressure phase is well described with the f electrons treated as band electrons, in either the LSD or the GGA approximations, of which the latter describes more accurately the experimental equation of state. The calculated pressure of the transition from localized to delocalized behavior is 280 kbar in the SIC-LSD approximation and 156 kbar in the GGA+OP approach, both comparing favorably with the experimentally observed transition pressure of 210 kbar. {copyright} {ital 1997} {ital The American Physical Society}« less

  5. Theoretical investigation of the structural, elastic, electronic and optical properties of the ternary indium sulfide layered structures AInS2 (A = K, Rb and Cs)

    NASA Astrophysics Data System (ADS)

    Bouchenafa, M.; Sidoumou, M.; Halit, M.; Benmakhlouf, A.; Bouhemadou, A.; Maabed, S.; Bentabet, A.; Bin-Omran, S.

    2018-02-01

    Ab initio calculations were performed to investigate the structural, elastic, electronic and optical properties of the ternary layered systems AInS2 (A = K, Rb and Cs). The calculated structural parameters are in good agreement with the existing experimental data. Analysis of the electronic band structure shows that the three studied materials are direct band-gap semiconductors. Density of states, charge transfers and charge density distribution maps were computed and analyzed. Numerical estimations of the elastic moduli and their related properties for single-crystal and polycrystalline aggregates were predicted. The optical properties were calculated for incident radiation polarized along the [100], [010] and [001] crystallographic directions. The studied materials exhibit a noticeable anisotropic behaviour in the elastic and optical properties, which is expected due to the symmetry and the layered nature of these compounds.

  6. Multiple density layered insulator

    DOEpatents

    Alger, T.W.

    1994-09-06

    A multiple density layered insulator for use with a laser is disclosed which provides at least two different insulation materials for a laser discharge tube, where the two insulation materials have different thermoconductivities. The multiple layer insulation materials provide for improved thermoconductivity capability for improved laser operation. 4 figs.

  7. Electron correlation in the interacting quantum atoms partition via coupled-cluster lagrangian densities.

    PubMed

    Holguín-Gallego, Fernando José; Chávez-Calvillo, Rodrigo; García-Revilla, Marco; Francisco, Evelio; Pendás, Ángel Martín; Rocha-Rinza, Tomás

    2016-07-15

    The electronic energy partition established by the Interacting Quantum Atoms (IQA) approach is an important method of wavefunction analyses which has yielded valuable insights about different phenomena in physical chemistry. Most of the IQA applications have relied upon approximations, which do not include either dynamical correlation (DC) such as Hartree-Fock (HF) or external DC like CASSCF theory. Recently, DC was included in the IQA method by means of HF/Coupled-Cluster (CC) transition densities (Chávez-Calvillo et al., Comput. Theory Chem. 2015, 1053, 90). Despite the potential utility of this approach, it has a few drawbacks, for example, it is not consistent with the calculation of CC properties different from the total electronic energy. To improve this situation, we have implemented the IQA energy partition based on CC Lagrangian one- and two-electron orbital density matrices. The development presented in this article is tested and illustrated with the H2 , LiH, H2 O, H2 S, N2 , and CO molecules for which the IQA results obtained under the consideration of (i) the CC Lagrangian, (ii) HF/CC transition densities, and (iii) HF are critically analyzed and compared. Additionally, the effect of the DC in the different components of the electronic energy in the formation of the T-shaped (H2 )2 van der Waals cluster and the bimolecular nucleophilic substitution between F(-) and CH3 F is examined. We anticipate that the approach put forward in this article will provide new understandings on subjects in physical chemistry wherein DC plays a crucial role like molecular interactions along with chemical bonding and reactivity. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  8. Electronic Structure of TlBa2CaCu2O(7-Delta)

    NASA Technical Reports Server (NTRS)

    Vasquez, R. P.; Novikov, D. L.; Freeman, A. J.; Siegal, M. P.

    1997-01-01

    The core levels of TlBa2CaCu2O(7-delta) (Tl-1212) epitaxial films have been measured with X-ray photoelectron spectroscopy (XPS). The valence electronic structure has been determined using the full-potential linear muffin-tin-orbital band-structure method and measured with XPS. The calculations show that a van Hove singularity (VHS) lies above the Fermi level (E(sub F)) for the stoichiometric compound (delta = 0.5), while for 50% oxygen vacancies in the Tl-O layer (delta = 0.5) E(sub F) is in close proximity to the VHS. Samples annealed in nitrogen (to reduce the hole overdoping by the removal of oxygen) exhibit higher core-level binding energies and a higher T(sub c), consistent with a shift of E(sub F) closer to the VHS. Comparisons are made to the core levels and valence bands of Tl2Ba2CaCu2O(8 + delta)(Tl-2212) and HgBa2CaCu2O)6 + delta) (Hg- 1212). The similarity of the Cu 2p(sub 3/2) spectra for Tl-1212 and Tl-2212 indicates that the number of Tl-O layers has little effect on the Cu-O bonding. However, the Tl-1212 and Hg-1212 Cu 2p(sub 3/2) signals exhibit differences which suggest that the replacement of T(sup 3+) with Hg(sup 2+) results in a decrease in the O 2p right arrow Cu 3d charge-transfer energy and differences in the probabilities of planar vs apical oxygen charge transfer and/or Zhang-Rice singlet-state formation. Differences between the Tl-1212 and the Tl-2212 and Hg-1212 measured valence bands are consistent with the calculated Cu 3d and (Tl,Hg) 6s/5d partial densities of states.

  9. Development and application of a 2-electron reduced density matrix approach to electron transport via molecular junctions

    NASA Astrophysics Data System (ADS)

    Hoy, Erik P.; Mazziotti, David A.; Seideman, Tamar

    2017-11-01

    Can an electronic device be constructed using only a single molecule? Since this question was first asked by Aviram and Ratner in the 1970s [Chem. Phys. Lett. 29, 277 (1974)], the field of molecular electronics has exploded with significant experimental advancements in the understanding of the charge transport properties of single molecule devices. Efforts to explain the results of these experiments and identify promising new candidate molecules for molecular devices have led to the development of numerous new theoretical methods including the current standard theoretical approach for studying single molecule charge transport, i.e., the non-equilibrium Green's function formalism (NEGF). By pairing this formalism with density functional theory (DFT), a wide variety of transport problems in molecular junctions have been successfully treated. For some systems though, the conductance and current-voltage curves predicted by common DFT functionals can be several orders of magnitude above experimental results. In addition, since density functional theory relies on approximations to the exact exchange-correlation functional, the predicted transport properties can show significant variation depending on the functional chosen. As a first step to addressing this issue, the authors have replaced density functional theory in the NEGF formalism with a 2-electron reduced density matrix (2-RDM) method, creating a new approach known as the NEGF-RDM method. 2-RDM methods provide a more accurate description of electron correlation compared to density functional theory, and they have lower computational scaling compared to wavefunction based methods of similar accuracy. Additionally, 2-RDM methods are capable of capturing static electron correlation which is untreatable by existing NEGF-DFT methods. When studying dithiol alkane chains and dithiol benzene in model junctions, the authors found that the NEGF-RDM predicts conductances and currents that are 1-2 orders of magnitude below

  10. The Empirical Canadian High Arctic Ionospheric Model (E-CHAIM): NmF2 and hmF2 specification

    NASA Astrophysics Data System (ADS)

    Themens, David; Thayyil Jayachandran, P.

    2017-04-01

    It is well known that the International Reference Ionosphere (IRI) suffers reduced accuracy in its representation of monthly median ionospheric electron density at high latitudes (Themens et al. 2014, Themens et al. 2016). These inaccuracies are believed to stem from a historical lack of data from these regions. Now, roughly thirty and forty years after the development of the original URSI and CCIR foF2 maps, respectively, there exists a much larger dataset of high latitude observations of ionospheric electron density. These new measurements come in the form of new ionosonde deployments, such as those of the Canadian High Arctic Ionospheric Network, the CHAMP, GRACE, and COSMIC radio occultation missions, and the construction of the Poker Flat, Resolute, and EISCAT Incoherent Scatter Radar systems. These new datasets afford an opportunity to revise the IRI's representation of the high latitude ionosphere. For this purpose, we here introduce the Empirical Canadian High Arctic Ionospheric Model (E-CHAIM), which incorporates all of the above datasets, as well as the older observation records, into a new climatological representation of the high latitude ionosphere. In this presentation, we introduce the NmF2 and hmF2 portions of the model, focusing on both climatological and storm-time representations, and present a validation of the new model with respect to ionosonde observations from four high latitude stations. A comparison with respect to IRI performance is also presented, where we see improvements by up to 70% in the representation of peak electron density through using the new E-CHAIM model. In terms of RMS errors, the E-CHAIM model is shown to represent a near-universal improvement over the IRI, sometimes by more than 1 MHz in foF2. For peak height, the E-CHAIM model demonstrates overall RMS errors of 13km at each test site compared to values of 18-35km for the IRI, depending on location. Themens, D.R., P. T. Jayachandran, et al. (2014). J. Geophys. Res. Space

  11. Matching characteristics of different buffer layers with VO2 thin films

    NASA Astrophysics Data System (ADS)

    Yang, Kai; Zhang, Dongping; Liu, Yi; Guan, Tianrui; Qin, Xiaonan; Zhong, Aihua; Cai, Xingmin; Fan, Ping; Lv, Weizhong

    2016-10-01

    VO2 thin films were fabricated by reactive DC magnetron sputtering on different buffer layers of MgF2, Al2O3 and TiO2, respectively. The crystallinity and orientation relationship, thickness of VO2 thin films, atoms vibrational modes, optical and electrical property, surface morphology of films were characterized by X-ray diffraction, Raman scattering microscopy, step profiler, spectrophotometer, four-probe technique, and scanning electron microscopy, respectively. XRD results investigated that the films have preferential crystalline planes VO2 (011). The crystallinity of VO2 films grown on TiO2 buffer layers are superior to VO2 directly deposited on soda-lime glass. The Raman bands of the VO2 films correspond to an Ag symmetry mode of VO2 (M). The sample prepared on 100nm TiO2 buffer layer appears nanorods structure, and exhibits remarkable solar energy modulation ability as high as 5.82% in full spectrum and 23% in near infrared spectrum. Cross-sectional SEM image of the thin films samples indicate that MgF2 buffer layer has clear interface with VO2 layer. But there are serious interdiffusion phenomenons between Al2O3, TiO2 buffer layer with VO2 layer.

  12. Atomic layer deposition of high-density Pt nanodots on Al2O3 film using (MeCp)Pt(Me)3 and O2 precursors for nonvolatile memory applications

    PubMed Central

    2013-01-01

    Pt nanodots have been grown on Al2O3 film via atomic layer deposition (ALD) using (MeCp)Pt(Me)3 and O2 precursors. Influence of the substrate temperature, pulse time of (MeCp)Pt(Me)3, and deposition cycles on ALD Pt has been studied comprehensively by scanning electron microscopy, transmission electron microscopy, and X-ray photoelectron spectroscopy. Therefore, Pt nanodots with a high density of approximately 2 × 1012 cm-2 have been achieved under optimized conditions: 300°C substrate temperature, 1 s pulse time of (MeCp)Pt(Me)3, and 70 deposition cycles. Further, metal-oxide-semiconductor capacitors with Pt nanodots embedded in ALD Al2O3 dielectric have been fabricated and characterized electrically, indicating noticeable electron trapping capacity, efficient programmable and erasable characteristics, and good charge retention. PMID:23413837

  13. A high density two-dimensional electron gas in an oxide heterostructure on Si (001)

    NASA Astrophysics Data System (ADS)

    Jin, E. N.; Kornblum, L.; Kumah, D. P.; Zou, K.; Broadbridge, C. C.; Ngai, J. H.; Ahn, C. H.; Walker, F. J.

    2014-11-01

    We present the growth and characterization of layered heterostructures comprised of LaTiO3 and SrTiO3 epitaxially grown on Si (001). Magnetotransport measurements show that the sheet carrier densities of the heterostructures scale with the number of LaTiO3/SrTiO3 interfaces, consistent with the presence of an interfacial 2-dimensional electron gas (2DEG) at each interface. Sheet carrier densities of 8.9 × 1014 cm-2 per interface are observed. Integration of such high density oxide 2DEGs on silicon provides a bridge between the exceptional properties and functionalities of oxide 2DEGs and microelectronic technologies.

  14. The roles of 4f- and 5f-orbitals in bonding: A magnetochemical, crystal field, density functional theory, and multi-reference wavefunction study

    DOE PAGES

    Lukens, Wayne W.; Speldrich, Manfred; Yang, Ping; ...

    2016-05-31

    The electronic structures of 4f 3/5f 3 Cp" 3M and Cp" 3M·alkylisocyanide complexes, where Cp" is 1,3-bis-(trimethylsilyl)cyclopentadienyl, are explored with a focus on the splitting of the f-orbitals, which provides information about the strengths of the metal–ligand interactions. While the f-orbital splitting in many lanthanide complexes has been reported in detail, experimental determination of the f-orbital splitting in actinide complexes remains rare in systems other than halide and oxide compounds, since the experimental approach, crystal field analysis, is generally significantly more difficult for actinide complexes than for lanthanide complexes. In this study, a set of analogous neodymium(III) and uranium(III) tris-cyclopentadienylmore » complexes and their isocyanide adducts was characterized by electron paramagnetic resonance (EPR) spectroscopy and magnetic susceptibility. The crystal field model was parameterized by combined fitting of EPR and susceptibility data, yielding an accurate description of f-orbital splitting. The isocyanide derivatives were also studied using density functional theory, resulting in f-orbital splitting that is consistent with crystal field fitting, and by multi-reference wavefunction calculations that support the electronic structure analysis derived from the crystal-field calculations. The results highlight that the 5f-orbitals, but not the 4f-orbitals, are significantly involved in bonding to the isocyanide ligands. The main interaction between isocyanide ligand and the metal center is a σ-bond, with additional 5f to π* donation for the uranium complexes. As a result, while interaction with the isocyanide π*-orbitals lowers the energies of the 5f xz2 and 5f yz2-orbitals, spin–orbit coupling greatly reduces the population of 5f xz2 and 5f yz2 in the ground state.« less

  15. Ionosphere variability during the 2009 SSW: Influence of the lunar semidiurnal tide and mechanisms producing electron density variability

    NASA Astrophysics Data System (ADS)

    Pedatella, N. M.; Liu, H.-L.; Sassi, F.; Lei, J.; Chau, J. L.; Zhang, X.

    2014-05-01

    To investigate ionosphere variability during the 2009 sudden stratosphere warming (SSW), we present simulation results that combine the Whole Atmosphere Community Climate Model Extended version and the thermosphere-ionosphere-mesosphere electrodynamics general circulation model (TIME-GCM). The simulations reveal notable enhancements in both the migrating semidiurnal solar (SW2) and lunar (M2) tides during the SSW. The SW2 and M2 amplitudes reach ˜50 m s-1 and ˜40 m s-1, respectively, in zonal wind at E region altitudes. The dramatic increase in the M2 at these altitudes influences the dynamo generation of electric fields, and the importance of the M2 on the ionosphere variability during the 2009 SSW is demonstrated by comparing simulations with and without the M2. TIME-GCM simulations that incorporate the M2 are found to be in good agreement with Jicamarca Incoherent Scatter Radar vertical plasma drifts and Constellation Observing System for Meteorology, Ionosphere, and Climate (COSMIC) observations of the maximum F region electron density. The agreement with observations is worse if the M2 is not included in the simulation, demonstrating that the lunar tide is an important contributor to the ionosphere variability during the 2009 SSW. We additionally investigate sources of the F region electron density variability during the SSW. The primary driver of the electron density variability is changes in electric fields. Changes in meridional neutral winds and thermosphere composition are found to also contribute to the electron density variability during the 2009 SSW. The electron density variability for the 2009 SSW is therefore not solely due to variability in electric fields as previously thought.

  16. Thin films as a platform for understanding the conversion mechanism of FeF2 cathodes in lithium-ion microbatteries

    NASA Astrophysics Data System (ADS)

    Santos-Ortiz, Reinaldo

    Conversion material electrodes such as FeF2 possess the potential to deliver transformative improvements in lithium ion battery performance because they permit a reversible change of more than one Li-ion per 3d metal cation. They outperform current state of the art intercalation cathodes such as LiCoO2, which have volumetric and gravimetric energy densities that are intrinsically limited by single electron transfer. Current studies focus on composite electrodes that are formed by mixing with carbon (FeF 2-C), wherein the carbon is expected to act as a binder to support the matrix and facilitate electronic conduction. These binders complicate the understanding of the electrode-electrolyte interface (SEI) passivation layer growth, of Li agglomeration, of ion and electron transport, and of the basic phase transformation processes under electrochemical cycling. This research uses thin-films as a model platform for obtaining basic understanding to the structural and chemical foundations of the phase conversion processes. Thin film cathodes are free of the binders used in nanocomposite structures and may potentially provide direct basic insight to the evolution of the SEI passivation layer, electron and ion transport, and the electrochemical behavior of true complex phases. The present work consisted of three main tasks (1) Development of optimized processes to deposit FeF2 and LiPON thin-films with the required phase purity and microstructure; (2) Understanding their electron and ion transport properties and; (3) Obtaining insight to the correlation between structure and capacity in thin-film microbatteries with FeF2 thin-film cathode and LiPON thin-film solid electrolyte. Optimized pulsed laser deposition (PLD) growth produced polycrystalline FeF2 films with excellent phase purity and P42/mnm crystallographic symmetry. A schematic band diagram was deduced using a combination of UPS, XPS and UV-Vis spectroscopies. Room temperature Hall measurements reveal that as

  17. MBE growth of few-layer 2H-MoTe2 on 3D substrates

    NASA Astrophysics Data System (ADS)

    Vishwanath, Suresh; Sundar, Aditya; Liu, Xinyu; Azcatl, Angelica; Lochocki, Edward; Woll, Arthur R.; Rouvimov, Sergei; Hwang, Wan Sik; Lu, Ning; Peng, Xin; Lien, Huai-Hsun; Weisenberger, John; McDonnell, Stephen; Kim, Moon J.; Dobrowolska, Margaret; Furdyna, Jacek K.; Shen, Kyle; Wallace, Robert M.; Jena, Debdeep; Xing, Huili Grace

    2018-01-01

    MoTe2 is the least explored material in the Molybdenum-chalcogen family. Molecular beam epitaxy (MBE) provides a unique opportunity to tackle the small electronegativity difference between Mo and Te while growing layer by layer away from thermodynamic equilibrium. We find that for a few-layer MoTe2 grown at a moderate rate of ∼6 min per monolayer, a narrow window in temperature (above Te cell temperature) and Te:Mo ratio exists, where we can obtain pure phase 2H-MoTe2. This is confirmed using reflection high-energy electron diffraction (RHEED), Raman spectroscopy and X-ray photoemission spectroscopy (XPS). For growth on CaF2, Grazing incidence X-ray diffraction (GI-XRD) reveals a grain size of ∼90 Å and presence of twinned grains. In this work, we hypothesis the presence of excess Te incorporation in MBE grown few layer 2H-MoTe2. For film on CaF2, it is based on >2 Te:Mo stoichiometry using XPS as well as 'a' and 'c' lattice spacing greater than bulk 2H-MoTe2. On GaAs, its based on observations of Te crystallite formation on film surface, 2 × 2 superstructure observed in RHEED and low energy electron diffraction, larger than bulk c-lattice spacing as well as the lack of electrical conductivity modulation by field effect. Finally, thermal stability and air sensitivity of MBE 2H-MoTe2 is investigated by temperature dependent XRD and XPS, respectively.

  18. Modulated two-dimensional charge-carrier density in LaTiO3-layer-doped LaAlO3/SrTiO3 heterostructure.

    PubMed

    Nazir, Safdar; Bernal, Camille; Yang, Kesong

    2015-03-11

    The highly mobile two-dimensional electron gas (2DEG) formed at the polar/nonpolar LaAlO3/SrTiO3 (LAO/STO) heterostructure (HS) is a matter of great interest because of its potential applications in nanoscale solid-state devices. To realize practical implementation of the 2DEG in device design, desired physical properties such as tuned charge carrier density and mobility are necessary. In this regard, polar perovskite-based transition metal oxides can act as doping layers at the interface and are expected to tune the electronic properties of 2DEG of STO-based HS systems dramatically. Herein, we investigated the doping effects of LaTiO3(LTO) layers on the electronic properties of 2DEG at n-type (LaO)(+1)/(TiO2)(0) interface in the LAO/STO HS using spin-polarized density functional theory calculations. Our results indicate an enhancement of orbital occupation near the Fermi energy, which increases with respect to the number of LTO unit cells, resulting in a higher charge carrier density of 2DEG than that of undoped system. The enhanced charge carrier density is attributed to an extra electron introduced by the Ti 3d(1) orbitals from the LTO dopant unit cells. This conclusion is consistent with the recent experimental findings (Appl. Phys. Lett. 2013, 102, 091601). Detailed charge density and partial density of states analysis suggests that the 2DEG in the LTO-doped HS systems primarily comes from partially occupied dyz and dxz orbitals.

  19. A Strategy to Enhance the Efficiency of Quantum Dot-Sensitized Solar Cells by Decreasing Electron Recombination with Polyoxometalate/TiO2 as the Electronic Interface Layer.

    PubMed

    Chen, Li; Chen, Weilin; Li, Jianping; Wang, Jiabo; Wang, Enbo

    2017-07-21

    Electron recombination occurring at the TiO 2 /quantum dot sensitizer/electrolyte interface is the key reason for hindering further efficiency improvements to quantum dot sensitized solar cells (QDSCs). Polyoxometalate (POM) can act as an electron-transfer medium to decrease electron recombination in a photoelectric device owing to its excellent oxidation/reduction properties and thermostability. A POM/TiO 2 electronic interface layer prepared by a simple layer-by-layer self-assembly method was added between fluorine-doped tin oxide (FTO) and mesoporous TiO 2 in the photoanode of QDSCs, and the effect on the photovoltaic performance was systematically investigated. Photovoltaic experimental results and the electron transmission mechanism show that the POM/TiO 2 electronic interface layer in the QDSCs can clearly suppress electron recombination, increase the electron lifetime, and result in smoother electron transmission. In summary, the best conversion efficiency of QDSCs with POM/TiO 2 electronic interface layers increases to 8.02 %, which is an improvement of 25.1 % compared with QDSCs without POM/TiO 2 . This work first builds an electron-transfer bridge between FTO and the quantum dot sensitizer and paves the way for further improved efficiency of QDSCs. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Synthesis and study of electronic state of Sr2CrO2Co2As2 with CoAs conduction layers

    NASA Astrophysics Data System (ADS)

    Suzuki, Atsushi; Ohta, Hiroto; Aruga Katori, Hiroko

    2017-06-01

    We successfully synthesized a new member of compounds with the CoAs layer, Sr2CrO2Co2As2, and its partially substituted systems Sr2CrO2(Tmx Co1- x )2As2 (Tm = Fe, Ni), and measured magnetization and electric resistivity of these polycrystalline compounds. As a result of magnetic measurement for Sr2CrO2Co2As2, magnetic moments of Co do not construct an itinerant electronic ferromagnetism unlike other compounds with the CoPn (Pn=P and As) layers. Both Sr2CrO2(Tmx Co1- x )2As2 with Tm = Fe and Ni also do not show an itinerant electronic ferromagnetism down to 2 K. For each solid solution of Sr2CrO2(Fe x Co1- x )2As2 with x > 0.0, ρ weakly increases with the decrease of T at low temperature region, indicating that the mixed occupancy of Cr and Fe within the conducting layers occurs in Sr2CrO2(Fe x Co1- x )2As2. We conclude that the absence of ferromagnetism in Sr2CrO2Co2As2 is due to the self-electron-doping from Cr to the conduction bands and the attempt to recover the ferromagnetism by the hole-doping effect is prevented by the mixed occupancy of Cr and Fe in Sr2CrO2 (Fe x Co1- x )2As2 with x > 0.0. The result of our structural analysis supports that the disappearance of itinerant electronic ferromagnetism in Sr2CrO2Co2As2 is due to the self-electron-doping from Cr.

  1. Influences of the current density on the performances of the chrome-plated layer in deterministic electroplating repair

    NASA Astrophysics Data System (ADS)

    Xia, H.; Shen, X. M.; Yang, X. C.; Xiong, Y.; Jiang, G. L.

    2018-01-01

    Deterministic electroplating repair is a novel method for rapidly repairing the attrited parts. By the qualitative contrast and quantitative comparison, influences of the current density on performances of the chrome-plated layer were concluded in this study. The chrome-plated layers were fabricated under different current densities when the other parameters were kept constant. Hardnesses, thicknesses and components, surface morphologies and roughnesses, and wearability of the chrome-plated layers were detected by the Vickers hardness tester, scanning electron microscope / energy dispersive X-ray detector, digital microscope in the 3D imaging mode, and the ball-milling instrument with profilograph, respectively. In order to scientifically evaluate each factor, the experimental data was normalized. A comprehensive evaluation model was founded to quantitative analyse influence of the current density based on analytic hierarchy process method and the weighted evaluation method. The calculated comprehensive evaluation indexes corresponding to current density of 40A/dm2, 45A/dm2, 50A/dm2, 55A/dm2, 60A/dm2, and 65A/dm2 were 0.2246, 0.4850, 0.4799, 0.4922, 0.8672, and 0.1381, respectively. Experimental results indicate that final optimal option was 60A/dm2, and the priority orders were 60A/dm2, 55A/dm2, 45A/dm2, 50A/dm2, 40A/dm2, and 65A/dm2.

  2. Radiolysis products and sensory properties of electron-beam-irradiated high-barrier food-packaging films containing a buried layer of recycled low-density polyethylene.

    PubMed

    Chytiri, S D; Badeka, A V; Riganakos, K A; Kontominas, M G

    2010-04-01

    The aim was to study the effect of electron-beam irradiation on the production of radiolysis products and sensory changes in experimental high-barrier packaging films composed of polyamide (PA), ethylene-vinyl alcohol (EVOH) and low-density polyethylene (LDPE). Films contained a middle buried layer of recycled LDPE, while films containing 100% virgin LDPE as the middle buried layer were taken as controls. Irradiation doses ranged between zero and 60 kGy. Generally, a large number of radiolysis products were produced during electron-beam irradiation, even at the lower absorbed doses of 5 and 10 kGy (approved doses for food 'cold pasteurization'). The quantity of radiolysis products increased with irradiation dose. There were no significant differences in radiolysis products identified between samples containing a recycled layer of LDPE and those containing virgin LDPE (all absorbed doses), indicating the 'functional barrier' properties of external virgin polymer layers. Sensory properties (mainly taste) of potable water were affected after contact with irradiated as low as 5 kGy packaging films. This effect increased with increasing irradiation dose.

  3. Electron density and electron temperature measurement in a bi-Maxwellian electron distribution using a derivative method of Langmuir probes

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Choi, Ikjin; Chung, ChinWook; Youn Moon, Se

    2013-08-15

    In plasma diagnostics with a single Langmuir probe, the electron temperature T{sub e} is usually obtained from the slope of the logarithm of the electron current or from the electron energy probability functions of current (I)-voltage (V) curve. Recently, Chen [F. F. Chen, Phys. Plasmas 8, 3029 (2001)] suggested a derivative analysis method to obtain T{sub e} by the ratio between the probe current and the derivative of the probe current at a plasma potential where the ion current becomes zero. Based on this method, electron temperatures and electron densities were measured and compared with those from the electron energymore » distribution function (EEDF) measurement in Maxwellian and bi-Maxwellian electron distribution conditions. In a bi-Maxwellian electron distribution, we found the electron temperature T{sub e} obtained from the method is always lower than the effective temperatures T{sub eff} derived from EEDFs. The theoretical analysis for this is presented.« less

  4. Observation of parametric instabilities in the quarter critical density region driven by the Nike KrF laser

    NASA Astrophysics Data System (ADS)

    Weaver, J. L.; Oh, J.; Phillips, L.; Afeyan, B.; Seely, J.; Kehne, D.; Brown, C. M.; Obenschain, S. P.; Serlin, V.; Schmitt, A. J.; Feldman, U.; Lehmberg, R. H.; Mclean, E.; Manka, C.

    2013-02-01

    The krypton-fluoride (KrF) laser is an attractive choice for inertial confinement fusion due to its combination of short wavelength (λ =248 nm), large bandwidth (up to 3 THz), and superior beam smoothing by induced spatial incoherence. These qualities improve the overall hydrodynamics of directly driven pellet implosions and should allow use of increased laser intensity due to higher thresholds for laser plasma instabilities when compared to frequency tripled Nd:glass lasers (λ =351 nm). Here, we report the first observations of the two-plasmon decay instability using a KrF laser. The experiments utilized the Nike laser facility to irradiate solid plastic planar targets over a range of pulse lengths (0.35 ns≤τ≤1.25 ns) and intensities (up to 2×1015 W/cm2). Variation of the laser pulse created different combinations of electron temperature and electron density scale length. The observed onset of instability growth was consistent with the expected scaling that KrF lasers have a higher intensity threshold for instabilities in the quarter critical density region.

  5. Potential energy surfaces of the electronic states of Li{sub 2}F and Li{sub 2}F{sup −}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bhowmick, Somnath; Hagebaum-Reignier, Denis, E-mail: denis.hagebaum-reignier@univ-amu.fr; Jeung, Gwang-Hi

    2016-07-21

    The potential energy surfaces of the ground and low-lying excited states for the insertion reaction of atomic fluorine (F) and fluoride (F{sup −}) into the dilithium (Li{sub 2}) molecule have been investigated. We have carried out explicitly correlated multi-reference configuration interaction (MRCI-F12) calculations using Dunning’s augmented correlation-consistent basis sets. For the neutral system, the insertion of F into Li{sub 2} proceeds via a harpoon-type mechanism on the ground state surface, involving a covalent state and an ionic state which avoid each other at long distance. A detailed analysis of the changes in the dipole moment along the reaction coordinate revealsmore » multiple avoided crossings among the excited states and shows that the charge-transfer processes play a pivotal role for the stabilization of the low-lying electronic states of Li{sub 2}F. For the anionic system, which is studied for the first time, the insertion of F{sup −} is barrierless for many states and there is a gradual charge transfer from F{sup −} to Li{sub 2} along the reaction path. We also report the optimized parameters and the spectroscopic properties of the five lowest states of the neutral and seven lowest states of the anionic systems, which are strongly stabilized with respect to their respective Li{sub 2} + F/F{sup −} asymptotes. The observed barrierless insertion mechanisms for both systems make them good candidates for investigation under the ultracold regime.« less

  6. Superior Field Emission Properties of Layered WS2-RGO Nanocomposites

    PubMed Central

    Rout, Chandra Sekhar; Joshi, Padmashree D.; Kashid, Ranjit V.; Joag, Dilip S.; More, Mahendra A.; Simbeck, Adam J.; Washington, Morris; Nayak, Saroj K.; Late, Dattatray J.

    2013-01-01

    We report here the field emission studies of a layered WS2-RGO composite at the base pressure of ~1 × 10−8 mbar. The turn on field required to draw a field emission current density of 1 μA/cm2 is found to be 3.5, 2.3 and 2 V/μm for WS2, RGO and the WS2-RGO composite respectively. The enhanced field emission behavior observed for the WS2-RGO nanocomposite is attributed to a high field enhancement factor of 2978, which is associated with the surface protrusions of the single-to-few layer thick sheets of the nanocomposite. The highest current density of ~800 μA/cm2 is drawn at an applied field of 4.1 V/μm from a few layers of the WS2-RGO nanocomposite. Furthermore, first-principles density functional calculations suggest that the enhanced field emission may also be due to an overalp of the electronic structures of WS2 and RGO, where graphene-like states are dumped in the region of the WS2 fundamental gap. PMID:24257504

  7. Investigations of electron attachment to the perfluorocarbon molecules c-C4F8, 2-C4F8, 1,3 C4F6, and c-C5F8

    NASA Astrophysics Data System (ADS)

    Feil, Stefan; Märk, Tilmann D.; Mauracher, Andreas; Scheier, Paul; Mayhew, Chris A.

    2008-11-01

    Non-dissociative and dissociative electron attachment to a series of gas-phase perfluorocarbons (PFCs), namely octafluorocyclobutane, c-C4F8, octafluorobut-2-ene (perfluoro-2-butene), 2-C4F8, hexafluorobuta-1,3-diene (1,3 perfluorobutadiene), 1,3 C4F6, and octafluorocyclopentene (perfluorocyclopentene), c-C5F8, of importance to technological plasmas, have been investigated using two different, but complimentary, instruments available in Innsbruck over the electron energy range 0-20 eV. Anion yields as a function of electron energy have been recorded, with the positions and intensities of the electron attachment resonances being determined. One of these instruments is a double focusing sector field mass spectrometer (VG-ZAB-2SEQ), which has been used for measurements requiring high sensitivity and for obtaining accurate relative anion yields. It has also been used to determine the electron detachment lifetimes of the parent anions under various accelerating voltages, and these results are also presented. The second instrument (CELIA) is a trochoidal electron monochromator coupled to a quadrupole mass filter with a pulse counting system for detecting product anionic species. This provides a much higher energy resolution than the VG-ZAB, which makes it a better instrument to investigate narrow energy resonances close to 0 eV. The results of anion yields, peak positions and the relative intensities presented in this paper are compared with previous data of electron attachment to the above PFCs, including investigations by Professor Eugen Illenberger.

  8. Effects of disorder on the intrinsically hole-doped iron-based superconductor KC a2F e4A s4F2 by cobalt substitution

    NASA Astrophysics Data System (ADS)

    Ishida, Junichi; Iimura, Soshi; Hosono, Hideo

    2017-11-01

    In this paper, the effects of cobalt substitution on the transport and electronic properties of the recently discovered iron-based superconductor KC a2F e4A s4F2 , with Tc=33 K , are reported. This material is an unusual superconductor showing intrinsic hole conduction (0.25 holes /F e2 + ). Upon doping of Co, the Tc of KC a2(Fe1-xC ox) 4A s4F2 gradually decreased, and bulk superconductivity disappeared when x ≥0.25 . Conversion of the primary carrier from p type to n type upon Co-doping was clearly confirmed by Hall measurements, and our results are consistent with the change in the calculated Fermi surface. Nevertheless, neither spin density wave (SDW) nor an orthorhombic phase, which are commonly observed for nondoped iron-based superconductors, was observed in the nondoped or electron-doped samples. The electron count in the 3 d orbitals and structural parameters were compared with those of other iron-based superconductors to show that the physical properties can be primarily ascribed to the effects of disorder.

  9. Enhancing the performance of blue GaN-based light emitting diodes with double electron blocking layers

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Guo, Yao; Liang, Meng; Fu, Jiajia

    2015-03-15

    In this work, novel double Electron Blocking Layers for InGaN/GaN multiple quantum wells light-emitting diodes were proposed to mitigate the efficiency droop at high current density. The band diagram and carriers distributions were investigated numerically. The results indicate that due to a newly formed holes stack in the p-GaN near the active region, the hole injection has been improved and an uniform carriers distribution can be achieved. As a result, in our new structure with double Electron Blocking Layers, the efficiency droop has been reduced to 15.5 % in comparison with 57.3 % for the LED with AlGaN EBL atmore » the current density of 100 A/cm{sup 2}.« less

  10. Artificial ionosphere layers for pumping-wave frequencies near the fourth electron gyroharmonic in experiments at the HAARP facility

    NASA Astrophysics Data System (ADS)

    Grach, S. M.; Sergeev, E. N.; Shindin, A. V.; Mishin, E. V.; Watkins, B.

    2014-02-01

    In this paper we consider the action (in the magnetic-zenith direction) of powerful high frequency (HF) radiation of ordinary polarization on the ionosphere F region. We deal with frequencies f 0 > 4 f ce ( f ce is the electron cyclotron frequency) of 1.7 GW equivalent radiated power. This action results in the appearance in the ionosphere of an artificial ionization layer. The layer descends with respect to the basic (unperturbed) layer at a rate of ˜500 m s-1 down to the altitude, where f 0 ≈ 4 f ce .

  11. Superconductivity in REO0.5F0.5BiS2 with high-entropy-alloy-type blocking layers

    NASA Astrophysics Data System (ADS)

    Sogabe, Ryota; Goto, Yosuke; Mizuguchi, Yoshikazu

    2018-05-01

    We synthesized new REO0.5F0.5BiS2 (RE: rare earth) superconductors with high-entropy-alloy-type (HEA-type) REO blocking layers. The lattice constant a systematically changed in the HEA-type samples with the RE concentration and the RE ionic radius. A sharp superconducting transition was observed in the resistivity measurements for all the HEA-type samples, and the transition temperature of the HEA-type samples was higher than that of typical REO0.5F0.5BiS2. The sharp superconducting transition and the enhanced superconducting properties of the HEA-type samples may indicate the effectiveness of the HEA states of the REO blocking layers in the REO0.5F0.5BiS2 system.

  12. Optimization of Layer Densities for Spacecraft Multilayered Insulation Systems

    NASA Technical Reports Server (NTRS)

    Johnson, W. L.

    2009-01-01

    Numerous tests of various multilayer insulation systems have indicated that there are optimal densities for these systems. However, the only method of calculating this optimal density was by a complex physics based algorithm developed by McIntosh. In the 1970's much data were collected on the performance of these insulation systems with many different variables analyzed. All formulas generated included number of layers and layer density as geometric variables in solving for the heat flux, none of them was in a differentiable form for a single geometric variable. It was recently discovered that by converting the equations from heat flux to thermal conductivity using Fourier's Law, the equations became functions of layer density, temperatures, and material properties only. The thickness and number of layers of the blanket were merged into a layer density. These equations were then differentiated with respect to layer density. By setting the first derivative equal to zero, and solving for the layer density, the critical layer density was determined. Taking a second derivative showed that the critical layer density is a minimum in the function and thus the optimum density for minimal heat leak, this is confirmed by plotting the original function. This method was checked and validated using test data from the Multipurpose Hydrogen Testbed which was designed using McIntosh's algorithm.

  13. Role of density gradient driven trapped electron mode turbulence in the H-mode inner core with electron heating

    DOE PAGES

    Ernst, D. R.; Burrell, K. H.; Guttenfelder, W.; ...

    2016-05-10

    In a series of DIII-D [J. L. Luxon, Nucl. Fusion 42 614 (2002)] low torque quiescent H-mode experiments show that density gradient driven TEM (DGTEM) turbulence dominates the inner core of H-Mode plasmas during strong electron cyclotron heating (ECH). By adding 3.4 MW ECH doubles T e/T i from 0.5 to 1.0, which halves the linear DGTEM critical density gradient, locally reducing density peaking, while transport in all channels displays extreme stiffness in the density gradient. This then suggests fusion -heating may degrade inner core confinement in H-Mode plasmas with moderate density peaking and low collisionality, with equal electron andmore » ion temperatures, key conditions expected in burning plasmas. Gyrokinetic simulations using GYRO [J. Candy and R. E. Waltz, J. Comp. Phys. 186 545 (2003)] (and GENE [F. Jenko et al., Phys. Plasmas 7, 1904 (2000)]) closely match not only particle, energy, and momentum fluxes, but also density fluctuation spectra from Doppler Backscattering (DBS), with and without ECH. Inner core DBS density fluctuations display discrete frequencies with adjacent toroidal mode numbers, which we identify as DGTEMs. GS2 [W. Dorland et al., Phys. Rev. Lett. 85 5579 (2000)] predictions show the DGTEM can be suppressed, to avoid degradation with electron heating, by broadening the current density profile to attain q 0 > q min > 1.« less

  14. The ionic versus metallic nature of 2D electrides: a density-functional description.

    PubMed

    Dale, Stephen G; Johnson, Erin R

    2017-10-18

    The two-dimensional (2D) electrides are a highly unusual class of materials, possessing interstitial electron layers sandwiched between cationic atomic layers of the solid. In this work, density-functional theory, with the exchange-hole dipole moment dispersion correction, is used to investigate exfoliation and interlayer sliding of the only two experimentally known 2D electrides: [Ca 2 N] + e - and [Y 2 C] 2+ (2e - ). Examination of the valence states during exfoliation identifies intercalated electrons in the bulk and weakly-bound surface-states in the fully-expanded case. The calculated exfoliation energies for the 2D electrides are found to be much higher than for typical 2D materials, which is attributed to the ionic nature of the electrides and the strong Coulomb forces governing the interlayer interactions. Conversely, the calculated sliding barriers are found to be quite low, comparable to those for typical 2D materials, and are effectively unchanged by exclusion of dispersion. We conjecture that the metallic nature of the interstitial electrons allows the atomic layers to move relative to each other without significantly altering the interlayer binding. Finally, comparison with previous works reveals the importance of a system-dependent dispersion correction in the density-functional treatment.

  15. Electron density and gas density measurements in a millimeter-wave discharge

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Schaub, S. C., E-mail: sschaub@mit.edu; Hummelt, J. S.; Guss, W. C.

    2016-08-15

    Electron density and neutral gas density have been measured in a non-equilibrium air breakdown plasma using optical emission spectroscopy and two-dimensional laser interferometry, respectively. A plasma was created with a focused high frequency microwave beam in air. Experiments were run with 110 GHz and 124.5 GHz microwaves at powers up to 1.2 MW. Microwave pulses were 3 μs long at 110 GHz and 2.2 μs long at 124.5 GHz. Electron density was measured over a pressure range of 25 to 700 Torr as the input microwave power was varied. Electron density was found to be close to the critical density, where the collisional plasma frequency is equal tomore » the microwave frequency, over the pressure range studied and to vary weakly with input power. Neutral gas density was measured over a pressure range from 150 to 750 Torr at power levels high above the threshold for initiating breakdown. The two-dimensional structure of the neutral gas density was resolved. Intense, localized heating was found to occur hundreds of nanoseconds after visible plasma formed. This heating led to neutral gas density reductions of greater than 80% where peak plasma densities occurred. Spatial structure and temporal dynamics of gas heating at atmospheric pressure were found to agree well with published numerical simulations.« less

  16. Solar corona electron density distribution

    NASA Astrophysics Data System (ADS)

    Esposito, P. B.; Edenhofer, P.; Lueneburg, E.

    1980-07-01

    The paper discusses the three and one-half months of single-frequency time delay data which were acquired from the Helios 2 spacecraft around the time of its solar occultation. The excess time delay due to integrated effect of free electrons along the signal's ray path could be separated and modeled following the determination of the spacecraft trajectory. An average solar corona and equatorial electron density profile during solar minimum were deduced from the time delay measurements acquired within 5-60 solar radii of the sun. As a point of reference at 10 solar radii from the sun, an average electron density was 4500 el/cu cm. However, an asymmetry was found in the electron density as the ray path moved from the west to east solar limb. This may be related to the fact that during entry into occultation the heliographic latitude of the ray path was about 6 deg, while during exit it was 7 deg. The Helios density model is compared with similar models deduced from different experimental techniques.

  17. Electron-impact-ionization dynamics of S F6

    NASA Astrophysics Data System (ADS)

    Bull, James N.; Lee, Jason W. L.; Vallance, Claire

    2017-10-01

    A detailed understanding of the dissociative electron ionization dynamics of S F6 is important in the modeling and tuning of dry-etching plasmas used in the semiconductor manufacture industry. This paper reports a crossed-beam electron ionization velocity-map imaging study on the dissociative ionization of cold S F6 molecules, providing complete, unbiased kinetic energy distributions for all significant product ions. Analysis of these distributions suggests that fragmentation following single ionization proceeds via formation of S F5 + or S F3 + ions that then dissociate in a statistical manner through loss of F atoms or F2, until most internal energy has been liberated. Similarly, formation of stable dications is consistent with initial formation of S F4 2 + ions, which then dissociate on a longer time scale. These data allow a comparison between electron ionization and photoionization dynamics, revealing similar dynamical behavior. In parallel with the ion kinetic energy distributions, the velocity-map imaging approach provides a set of partial ionization cross sections for all detected ionic fragments over an electron energy range of 50-100 eV, providing partial cross sections for S2 +, and enables the cross sections for S F4 2 + from S F+ to be resolved.

  18. Electron-spin-resonance studies of 12CH3F + , 13CH3F + , and 12CH2DF + in neon matrices at 4 K: Comparison with theoretical calculations

    NASA Astrophysics Data System (ADS)

    Knight, Lon B., Jr.; Gregory, Brian W.; Hill, Devon W.; Arrington, C. A.; Momose, Takamasa; Shida, Tadamasa

    1991-01-01

    Various isotopic forms of the methyl fluoride cation 12CH3F+, 13CH3F+, and 12CH2DF+ have been generated by photoionization at 16.8 eV and separately by electron bombardment at 50 eV. The first electron-spin-resonance (ESR) results are reported for this radical cation which was isolated in neon matrices at 4 K. The measured A tensors or nuclear hyperfine parameters were compared with the results obtained from various computational approaches. Surprising observations were the large amounts of spin density on the methyl group, especially the hydrogen atoms, and the extreme differences in the deuterated spectra compared to the nondeuterated case. The presence of a single D atom apparently acts to prevent dynamic Jahn-Teller averaging which makes the methyl hydrogens equivalent on the ESR time scale. Such a dramatic Jahn-Teller effect has been previously observed for the similar methane cations CH+4 and CH2D+2. The magnetic parameters for CH2DF+ in neon at 4 K are gX=2.0032(5), gY=2.0106(8), and gZ=2.0120(5); for H: AX = 483(1), AY=476(1), and AZ=483(1) MHz; for D: ‖AX‖=5.0(3), ‖AY‖<3, and ‖AZ‖=7.1(3) MHz; for 19F : AX=965(1), AY=-130(2), and AZ=-166(1) MHz. For CH3F+, the g tensor and 19F A tensor were similar to those above but the H atoms were equivalent with values of AX=317(1), AY=323(2), and AZ=312 MHz.

  19. Electron density measurements in STPX plasmas

    NASA Astrophysics Data System (ADS)

    Clark, Jerry; Williams, R.; Titus, J. B.; Mezonlin, E. D.; Akpovo, C.; Thomas, E.

    2017-10-01

    Diagnostics have been installed to measure the electron density of Spheromak Turbulent Physics Experiment (STPX) plasmas at Florida A. & M. University. An insertable probe, provided by Auburn University, consisting of a combination of a triple-tipped Langmuir probe and a radial array consisting of three ion saturation current / floating potential rings has been installed to measure instantaneous plasma density, temperature and plasma potential. As the ramp-up of the experimental program commences, initial electron density measurements from the triple-probe show that the electron density is on the order of 1019 particles/m3. For a passive measurement, a CO2 interferometer system has been designed and installed for measuring line-averaged densities and to corroborate the Langmuir measurements. We describe the design, calibration, and performance of these diagnostic systems on large volume STPX plasmas.

  20. Lead Halide Perovskites as Charge Generation Layers for Electron Mobility Measurement in Organic Semiconductors.

    PubMed

    Love, John A; Feuerstein, Markus; Wolff, Christian M; Facchetti, Antonio; Neher, Dieter

    2017-12-06

    Hybrid lead halide perovskites are introduced as charge generation layers (CGLs) for the accurate determination of electron mobilities in thin organic semiconductors. Such hybrid perovskites have become a widely studied photovoltaic material in their own right, for their high efficiencies, ease of processing from solution, strong absorption, and efficient photogeneration of charge. Time-of-flight (ToF) measurements on bilayer samples consisting of the perovskite CGL and an organic semiconductor layer of different thickness are shown to be determined by the carrier motion through the organic material, consistent with the much higher charge carrier mobility in the perovskite. Together with the efficient photon-to-electron conversion in the perovskite, this high mobility imbalance enables electron-only mobility measurement on relatively thin application-relevant organic films, which would not be possible with traditional ToF measurements. This architecture enables electron-selective mobility measurements in single components as well as bulk-heterojunction films as demonstrated in the prototypical polymer/fullerene blends. To further demonstrate the potential of this approach, electron mobilities were measured as a function of electric field and temperature in an only 127 nm thick layer of a prototypical electron-transporting perylene diimide-based polymer, and found to be consistent with an exponential trap distribution of ca. 60 meV. Our study furthermore highlights the importance of high mobility charge transporting layers when designing perovskite solar cells.

  1. Structural, electronic and vibrational properties of LaF3 according to density functional theory and Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Oreshonkov, A. S.; Roginskii, E. M.; Krylov, A. S.; Ershov, A. A.; Voronov, V. N.

    2018-06-01

    Crystal structure of LaF3 single crystal is refined in tysonite-type trigonal unit cell P c1 using density functional theory calculations and Raman spectroscopy. It is shown that trigonal structure with P c1 space group is more energy-efficient than hexagonal structure with space group P63 cm. Simulated Raman spectra obtained using LDA approximation is in much better agreement with experimental data than that obtained with PBE and PBEsol functionals of GGA. The calculated frequency value of silent mode B 2 in case of hexagonal structure P63 cm was found to be imaginary (unstable mode), thus the energy surface obtains negative curvature with respect to the corresponding normal coordinates of the mode which leads to instability of the hexagonal structure in harmonic approximation. The A 1g line at 214 cm‑1 in Raman spectra of LaF3 related to the translation of F2 ions along c axis can be connected with F2 ionic conductivity.

  2. Evaluation of double-layer density modulated Si thin films as Li-ion battery anodes

    NASA Astrophysics Data System (ADS)

    Taha Demirkan, Muhammed; Yurukcu, Mesut; Dursun, Burcu; Demir-Cakan, Rezan; Karabacak, Tansel

    2017-10-01

    Double-layer density modulated silicon thin films which contain alternating low and high density Si film layers were fabricated by magnetron sputtering. Two different samples consisting of alternating layers of high-density/low-density and low-density/high-density Si thin film layers were investigated as anode electrodes in Li-ion batteries. Si thin film in which the terminating layer at the top is low density Si layer-quoted as low-density/high-density film (LD/HD)- exhibits better performance than Si thin film that has high density layer at the top, -quoted as high-density/low-density (HD/LD). A highly stabilized cycling performance with the specific charge capacities of 2000 mAh g-1 at the 150th cycle at C/2 current density, and 1200 mAh g-1 at the 240th cycle at 10 C current density were observed for the LD/HD Si anode in the presence of fluoroethylene carbonate (FEC) electrolyte additive.

  3. Interpretation of monoclinic hafnia valence electron energy-loss spectra by time-dependent density functional theory

    NASA Astrophysics Data System (ADS)

    Hung, L.; Guedj, C.; Bernier, N.; Blaise, P.; Olevano, V.; Sottile, F.

    2016-04-01

    We present the valence electron energy-loss spectrum and the dielectric function of monoclinic hafnia (m -HfO2) obtained from time-dependent density-functional theory (TDDFT) predictions and compared to energy-filtered spectroscopic imaging measurements in a high-resolution transmission-electron microscope. Fermi's golden rule density-functional theory (DFT) calculations can capture the qualitative features of the energy-loss spectrum, but we find that TDDFT, which accounts for local-field effects, provides nearly quantitative agreement with experiment. Using the DFT density of states and TDDFT dielectric functions, we characterize the excitations that result in the m -HfO2 energy-loss spectrum. The sole plasmon occurs between 13 and 16 eV, although the peaks ˜28 and above 40 eV are also due to collective excitations. We furthermore elaborate on the first-principles techniques used, their accuracy, and remaining discrepancies among spectra. More specifically, we assess the influence of Hf semicore electrons (5 p and 4 f ) on the energy-loss spectrum, and find that the inclusion of transitions from the 4 f band damps the energy-loss intensity in the region above 13 eV. We study the impact of many-body effects in a DFT framework using the adiabatic local-density approximation (ALDA) exchange-correlation kernel, as well as from a many-body perspective using "scissors operators" matched to an ab initio G W calculation to account for self-energy corrections. These results demonstrate some cancellation of errors between self-energy and excitonic effects, even for excitations from the Hf 4 f shell. We also simulate the dispersion with increasing momentum transfer for plasmon and collective excitation peaks.

  4. Evaluation of the difference in the rate coefficients of F2 + NOx (x = 1 or 2) → F + FNOx by the stereochemical arrangement using the density functional theory.

    PubMed

    Tajima, Satomi; Hayashi, Toshio; Hori, Masaru

    2015-02-26

    The rate coefficient of F2 + NO → F + FNO is 2 to 5 orders of magnitude higher than that of F2 + NO2F + FNO2 even though bond energies of FNO and FNO2 only differ by ∼0.2 eV. To understand the cause of having different rate coefficients of these two reactions, the change in total energies was calculated by varying the stereochemical arrangement of F2 with respect to NOx (x = 1 or 2) by the density functional theory (DFT), using CAM-B3LYP/6-311 G+(d) in the Gaussian program. The permitted approaching angle between the x-axis and the plane consisting of O, N, F, and ϕ plays a key role to restrict the reaction of NO2 and F2 compared to the reaction of NO and F2. This restriction in the reaction space is considered to be the main cause of different rate coefficients depending on the selection of x = 1 or 2 of the reaction of F2 + NOx → F + FNOx, which was also confirmed by the difference in Si etch rate using the F formed by those reactions.

  5. Reduction of 1/f noise in graphene after electron-beam irradiation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zahid Hossain, Md.; Rumyantsev, Sergey; Ioffe Physical-Technical Institute, The Russian Academy of Sciences, St. Petersburg 194021

    2013-04-15

    We investigated experimentally the effect of the electron-beam irradiation on the level of the low-frequency 1/f noise in graphene devices. It was found that 1/f noise in graphene reduces with increasing concentration of defects induced by irradiation. The increased amount of structural disorder in graphene under irradiation was verified with micro-Raman spectroscopy. The bombardment of graphene devices with 20-keV electrons reduced the noise spectral density, S{sub I}/I{sup 2} (I is the source-drain current) by an order-of magnitude at the radiation dose of 10{sup 4} {mu}C/cm{sup 2}. We analyzed the observed noise reduction in the limiting cases of the mobility andmore » carrier number fluctuation mechanisms. The obtained results are important for the proposed graphene applications in analog, mixed-signal, and radio-frequency systems, integrated circuits and sensors.« less

  6. A comparative density functional study on electrical properties of layered penta-graphene

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yu, Zhi Gen, E-mail: yuzg@ihpc.a-star.edu.sg; Zhang, Yong-Wei, E-mail: zhangyw@ihpc.a-star.edu.sg

    We present a comparative study of the influence of the number of layers, the biaxial strain in the range of −3% to 3%, and the stacking misalignments on the electronic properties of a new 2D carbon allotrope, penta-graphene (PG), based on hybrid-functional method within the density functional theory (DFT). In comparison with local exchange-correlation approximation in the DFT, the hybrid-functional provides an accurate description on the degree of p{sub z} orbitals localization and bandgap. Importantly, the predicted bandgap of few-layer PG has a weak layer dependence. The bandgap of monolayer PG is 3.27 eV, approximately equal to those of GaN andmore » ZnO; and the bandgap of few-layer PG decreases slowly with the number of layers (N) and converge to 2.57 eV when N ≥ 4. Our calculations using HSE06 functional on few-layer PG reveal that bandgap engineering by stacking misalignment can further tune the bandgap down to 1.37 eV. Importantly, there is no direct-to-indirect bandgap transition in PG by varying strain, layer number, and stacking misalignment. Owing to its tunable, robustly direct, and wide bandgap characteristics, few-layer PG is promising for optoelectronic and photovoltaic applications.« less

  7. Defect-induced wetting on BaF 2(111) and CaF 2(111) at ambient conditions

    NASA Astrophysics Data System (ADS)

    Cardellach, M.; Verdaguer, A.; Fraxedas, J.

    2011-12-01

    The interaction of water with freshly cleaved (111) surfaces of isostructural BaF2 and CaF2 single crystals at ambient conditions (room temperature and under controlled humidity) has been studied using scanning force microscopy in different operation modes and optical microscopy. Such surfaces exhibit contrasting behaviors for both materials: while on BaF2(111) two-dimensional water layers are formed after accumulation at step edges, CaF2(111) does not promote the formation of such layers. We attribute such opposed behavior to lattice match (mismatch) between hexagonal water ice and the hexagonal (111) surfaces of BaF2(CaF2). Optical microscope images reveal that this behavior also determines the way the surfaces become wetted at a macroscopic level.

  8. Thermal Analysis of Low Layer Density Multilayer Insulation Test Results

    NASA Technical Reports Server (NTRS)

    Johnson, Wesley L.

    2011-01-01

    Investigation of the thermal performance of low layer density multilayer insulations is important for designing long-duration space exploration missions involving the storage of cryogenic propellants. Theoretical calculations show an analytical optimal layer density, as widely reported in the literature. However, the appropriate test data by which to evaluate these calculations have been only recently obtained. As part of a recent research project, NASA procured several multilayer insulation test coupons for calorimeter testing. These coupons were configured to allow for the layer density to be varied from 0.5 to 2.6 layer/mm. The coupon testing was completed using the cylindrical Cryostat-l00 apparatus by the Cryogenics Test Laboratory at Kennedy Space Center. The results show the properties of the insulation as a function of layer density for multiple points. Overlaying these new results with data from the literature reveals a minimum layer density; however, the value is higher than predicted. Additionally, the data show that the transition region between high vacuum and no vacuum is dependent on the spacing of the reflective layers. Historically this spacing has not been taken into account as thermal performance was calculated as a function of pressure and temperature only; however the recent testing shows that the data is dependent on the Knudsen number which takes into account pressure, temperature, and layer spacing. These results aid in the understanding of the performance parameters of MLI and help to complete the body of literature on the topic.

  9. Three-dimensional architecture hybrid perovskite solar cells using CdS nanorod arrays as an electron transport layer

    NASA Astrophysics Data System (ADS)

    Song, Zihang; Tong, Guoqing; Li, Huan; Li, Guopeng; Ma, Shuai; Yu, Shimeng; Liu, Qian; Jiang, Yang

    2018-01-01

    Three-dimensional (3D) architecture perovskite solar cells (PSCs) using CdS nanorod (NR) arrays as an electron transport layer were designed and prepared layer-by-layer via a physical-chemical vapor deposition (P-CVD) process. The CdS NRs not only provided a scaffold to the perovskite film, but also increased the interfacial contact between the perovskite film and electron transport layer. As an optimized result, a high power conversion efficiency of 12.46% with a short-circuit current density of 19.88 mA cm-2, an open-circuit voltage of 1.01 V and a fill factor of 62.06% was obtained after 12 h growth of CdS NRs. It was four times the efficiency of contrast planar structure with a similar thickness. The P-CVD method assisted in achieving flat and voidless CH3NH3PbI3-x Cl x perovskite film and binding the CdS NRs and perovskite film together. The different density of CdS NRs had obvious effects on light transmittance of 350-550 nm, the interfacial area and the difficulty of combining layers. Moreover, the efficient 1D transport paths for electrons and multiple absorption of light, which are generated in 3D architecture, were beneficial to realize a decent power conversion efficiency.

  10. First principles analysis of the CDW instability of single-layer 1T-TiSe2 and its evolution with charge carrier density

    NASA Astrophysics Data System (ADS)

    Guster, Bogdan; Canadell, Enric; Pruneda, Miguel; Ordejón, Pablo

    2018-04-01

    We present a density functional theory study of the electronic structure of single-layer TiSe2, and focus on the charge density wave (CDW) instability present on this 2D material. We explain the 2× 2 periodicity of the CDW from the phonon band structure of the undistorted crystal, which is unstable under one of the phonon modes at the M point. This can be understood in terms of a partial band gap opening at the Fermi level, which we describe on the basis of the symmetry of the involved crystal orbitals, leading to an energy gain upon the displacement of the atoms following the phonon mode in a 2  ×  1 structure. Furthermore, the combination of the corresponding phonons for the three inequivalent M points of the Brillouin zone leads to the 2  ×  2 distortion characteristic of the CDW state. This leads to a further opening of a full gap, which reduces the energy of the 2  ×  2 structure compared to the 2  ×  1 one of a single M point phonon, and makes the CDW structure the most stable one. We also analyze the effect of charge injection into the layer on the structural instability. We predict that the 2  ×  2 structure only survives for a certain range of doping levels, both for electrons and for holes, as doping reduces the energy gain due to the gap opening. We predict the transition from the commensurate 2  ×  2 distortion to an incommensurate one with increasing wavelength upon increasing the doping level, followed by the appearance of the undistorted 1  ×  1 structure for larger carrier concentrations.

  11. Spin-filter spin valves with nano-oxide layers for high density recording heads

    NASA Astrophysics Data System (ADS)

    Al-Jibouri, Abdul; Hoban, M.; Lu, Z.; Pan, G.

    2002-05-01

    A new spin-filter spin valve with nano-oxide specular layers with structure of Ta/NiFe/IrMn/CoFe/NOL1/CoFe/Cu/CoFetfl/CutCu/NOL2/Ta was deposited using a Nordiko 9606 physical vapor deposition system. The data clearly show that the magnetoresistive (MR) ratio has been significantly improved for spin valves with thinner free layers. The MR ratio remains larger than 12% even when the CoFe free layer is as thin as 1 nm. An optimized MR ratio of ˜15% was obtained when tfl was about 1.2 nm and tCu about 1.5 nm, and was a result of the balance between the increase in the electron mean free path difference and current shunting through the conducting layer. It is also found that the Cu enhancing layer can improve soft magnetic properties of the CoFe free layer due to the low atomic intermixing observed between Co and Cu. The CoFe free layer of 1-4 nm exhibited coercivity of ˜3 Oe after annealing in a static magnetic field. This kind of spin valve with a very thin soft CoFe free layer is particularly attractive for ultra high density read head applications.

  12. Interfacial band-edge engineered TiO2 protection layer on Cu2O photocathodes for efficient water reduction reaction

    NASA Astrophysics Data System (ADS)

    Choi, Jaesuk; Song, Jun Tae; Jang, Ho Seong; Choi, Min-Jae; Sim, Dong Min; Yim, Soonmin; Lim, Hunhee; Jung, Yeon Sik; Oh, Jihun

    2017-01-01

    Photoelectrochemical (PEC) water splitting has emerged as a potential pathway to produce sustainable and renewable chemical fuels. Here, we present a highly active Cu2O/TiO2 photocathode for H2 production by enhancing the interfacial band-edge energetics of the TiO2 layer, which is realized by controlling the fixed charge density of the TiO2 protection layer. The band-edge engineered Cu2O/TiO2 (where TiO2 was grown at 80 °C via atomic layer deposition) enhances the photocurrent density up to -2.04 mA/cm2 at 0 V vs. RHE under 1 sun illumination, corresponding to about a 1,200% enhancement compared to the photocurrent density of the photocathode protected with TiO2 grown at 150 °C. Moreover, band-edge engineering of the TiO2 protection layer prevents electron accumulation at the TiO2 layer and enhances both the Faraday efficiency and the stability for hydrogen production during the PEC water reduction reaction. This facile control over the TiO2/electrolyte interface will also provide new insight for designing highly efficient and stable protection layers for various other photoelectrodes such as Si, InP, and GaAs. [Figure not available: see fulltext.

  13. Electron density measurements for plasma adaptive optics

    NASA Astrophysics Data System (ADS)

    Neiswander, Brian W.

    Over the past 40 years, there has been growing interest in both laser communications and directed energy weapons that operate from moving aircraft. As a laser beam propagates from an aircraft in flight, it passes through boundary layers, turbulence, and shear layers in the near-region of the aircraft. These fluid instabilities cause strong density gradients which adversely affect the transmission of laser energy to a target. Adaptive optics provides corrective measures for this problem but current technology cannot respond quickly enough to be useful for high speed flight conditions. This research investigated the use of plasma as a medium for adaptive optics for aero-optics applications. When a laser beam passes through plasma, its phase is shifted proportionally to the electron density and gas heating within the plasma. As a result, plasma can be utilized as a dynamically controllable optical medium. Experiments were carried out using a cylindrical dielectric barrier discharge plasma chamber which generated a sub-atmospheric pressure, low-temperature plasma. An electrostatic model of this design was developed and revealed an important design constraint relating to the geometry of the chamber. Optical diagnostic techniques were used to characterize the plasma discharge. Single-wavelength interferometric experiments were performed and demonstrated up to 1.5 microns of optical path difference (OPD) in a 633 nm laser beam. Dual-wavelength interferometry was used to obtain time-resolved profiles of the plasma electron density and gas heating inside the plasma chamber. Furthermore, a new multi-wavelength infrared diagnostic technique was developed and proof-of-concept simulations were conducted to demonstrate the system's capabilities.

  14. Inhibiting Low-Frequency Vibrations Explains Exceptionally High Electron Mobility in 2,5-Difluoro-7,7,8,8-tetracyanoquinodimethane (F2-TCNQ) Single Crystals.

    PubMed

    Chernyshov, Ivan Yu; Vener, Mikhail V; Feldman, Elizaveta V; Paraschuk, Dmitry Yu; Sosorev, Andrey Yu

    2017-07-06

    Organic electronics requires materials with high charge mobility. Despite decades of intensive research, charge transport in high-mobility organic semiconductors has not been well understood. In this Letter, we address the physical mechanism underlying the exceptionally high band-like electron mobility in F 2 -TCNQ (2,5-difluoro-7,7,8,8-tetracyanoquinodimethane) single crystals among a crystal family of similar compounds F n -TCNQ (n = 0, 2, 4) using a combined experimental and theoretical approach. While electron transfer integrals and reorganization energies did not show outstanding features for F 2 -TCNQ, Raman spectroscopy and solid-state DFT indicated that the frequency of the lowest vibrational mode is nearly twice higher in the F 2 -TCNQ crystal than in TCNQ and F 4 -TCNQ. This phenomenon is explained by the specific packing motif of F 2 -TCNQ with only one molecule per primitive cell so that electron-phonon interaction decreases and the electron mobility increases. We anticipate that our findings will encourage investigators for the search and design of organic semiconductors with one molecule per primitive cell and/or the poor low-frequency vibrational spectrum.

  15. Electron Attachment to Radicals and Highly-Excited States in Laser-Irradiated CCl_2F_2*

    NASA Astrophysics Data System (ADS)

    Pinnaduwage, Lal; Datskos, Panos

    1997-10-01

    We have measured electron attachment rate constants for two species produced via ArF-excimer- laser irradiated CF_2Cl_2, i.e., the CF_2Cl radical and the highly-excited electronically-excited states of CF_2Cl_2. These measurements show that while electron attachment to the fragment radical has a rate constants about an order of magnitude higher compared to the ground states of CF_2Cl_2, electron attachment to the highly- excited states have many orders of magnitude larger rate constants. To our knowledge, only one other electron attachment measurement has been conducted on molecular fragments up to now. Implications of these measurements for plasma processing discharges will be discussed. Research supported by the National Science Foundation under contract No. ECS-9626217 with the University of Tennessee, Knoxville. The Oak Ridge National Laboratory is managed by Lockheed Martin Energy Research Corp. for the U. S. DOE under contract No. DE-AC05- 96OR22464.

  16. Automated Processing of ISIS Topside Ionograms into Electron Density Profiles

    NASA Technical Reports Server (NTRS)

    Reinisch, bodo W.; Huang, Xueqin; Bilitza, Dieter; Hills, H. Kent

    2004-01-01

    Modeling of the topside ionosphere has for the most part relied on just a few years of data from topside sounder satellites. The widely used Bent et al. (1972) model, for example, is based on only 50,000 Alouette 1 profiles. The International Reference Ionosphere (IRI) (Bilitza, 1990, 2001) uses an analytical description of the graphs and tables provided by Bent et al. (1972). The Alouette 1, 2 and ISIS 1, 2 topside sounder satellites of the sixties and seventies were ahead of their times in terms of the sheer volume of data obtained and in terms of the computer and software requirements for data analysis. As a result, only a small percentage of the collected topside ionograms was converted into electron density profiles. Recently, a NASA-funded data restoration project has undertaken and is continuing the process of digitizing the Alouette/ISIS ionograms from the analog 7-track tapes. Our project involves the automated processing of these digital ionograms into electron density profiles. The project accomplished a set of important goals that will have a major impact on understanding and modeling of the topside ionosphere: (1) The TOPside Ionogram Scaling and True height inversion (TOPIST) software was developed for the automated scaling and inversion of topside ionograms. (2) The TOPIST software was applied to the over 300,000 ISIS-2 topside ionograms that had been digitized in the fkamework of a separate AISRP project (PI: R.F. Benson). (3) The new TOPIST-produced database of global electron density profiles for the topside ionosphere were made publicly available through NASA s National Space Science Data Center (NSSDC) ftp archive at . (4) Earlier Alouette 1,2 and ISIS 1, 2 data sets of electron density profiles from manual scaling of selected sets of ionograms were converted fiom a highly-compressed binary format into a user-friendly ASCII format and made publicly available through nssdcftp.gsfc.nasa.gov. The new database for the topside

  17. A density functional study of silicon fullerene endohedral X@Si20F20 and exohedral X-Si20F20 (X=O2-, S2-, Se2-) complexes

    NASA Astrophysics Data System (ADS)

    Behzadi, Hadi; Esrafili, Mehdi D.; Manzetti, Sergio; Roonasi, Payman

    2014-02-01

    This study reports the structure and electronic properties of three stable endohedral X@Si20F20 and exohedral X-Si20F20 (X=O2-, S2-, Se2-) complexes. The study revealed that the endohedral complexes with S2- and Se2- result as energy minimum structures, with the guest anion located in the cage center. In the case of endohedral O2--complexes, the pattern is quite different whereas the O2- complexes dramatically deviated from the architecture of S2- and Se2-, by having O2- located toward one of silicon atoms in the cage. With respect to the exohedral form, the energy minimized structure is obtained by positioning the anion between two silicon atoms and forming two Si-X bonds. For both cases, the strength of the interactions is calculated to increase accordingly to the pattern: Se2-@Si20F20 (Se2--Si20F20)2-@Si20F20 (S2--Si20F20)2-@Si20F20 (O2--Si20F20). Additionally, the calculated HOMO-LUMO energy gaps of the exohedral complexes show lower values than endohedral forms, indicating higher chemical reactivity. This study reports relevant details for the synthesis and structuring of silica based endohedral complexes and serves for the further developments of silica-based particles for energy and microengineering purposes.

  18. Remote sensing of electron density and ion composition using nonducted whistler observations on OGO 1 and Van Allen Probes

    NASA Astrophysics Data System (ADS)

    Sonwalkar, V. S.; Butler, J.; Reddy, A.

    2017-12-01

    We present a new method to remotely measure magnetospheric electron density and ion composition using lightning generated nonducted whistlers observed on a satellite. Electron and ion densities play important roles in magnetospheric processes such as wave-particle interactions in the equatorial region and ion-neutral dynamics in the ionosphere, and are important for calculating space weather effects such as particle precipitation, GPS scintillations, and satellite drag. The nonducted whistler resulting from a single lightning appears on a spectrogram as a series of magnetospherically reflected traces with characteristic dispersion (time delay versus frequency) and upper and lower cut off frequencies. Ray tracing simulations show that these observed characteristics depend on the magnetospheric electron density and ion composition. The cut off frequencies depend on both electron density and ion composition. The dispersion depends strongly on electron density, but weakly on ion composition. Using an iterative process to fit the measured dispersion and cutoff frequencies to those obtained from ray tracing simulations, it is possible to construct the electron and ion density profiles of the magnetosphere. We demonstrate our method by applying it to nonducted whistlers observed on OGO 1 and Van Allen probe satellites. In one instance (08 Nov 1965), whistler traces observed on OGO 1 (L = 2.4, λm = -6°) displayed a few seconds of dispersion and cutoff frequencies in the 1-10 kHz range. Ray tracing analysis showed that a diffusive equilibrium density model with the following parameters can reproduce the observed characteristics of the whistler traces: 1900 el/cc at L=2.4 and the equator, 358,000 el/cc at F2 peak (hmF2 = 220 km), the relative ion concentrations αH+ = 0.2, αHe+ = 0.2, and αO+ = 0.6 at 1000 km, and temperature 1600 K. The method developed here can be applied to whistlers observed on the past, current, and future magnetospheric satellite missions carrying

  19. Ni foam supported quasi-core-shell structure of ultrathin Ti3C2 nanosheets through electrostatic layer-by-layer self-assembly as high rate-performance electrodes of supercapacitors

    NASA Astrophysics Data System (ADS)

    Tian, Yapeng; Yang, Chenhui; Que, Wenxiu; He, Yucheng; Liu, Xiaobin; Luo, Yangyang; Yin, Xingtian; Kong, Ling Bing

    2017-11-01

    Supercapacitor, as an important energy storage device, is a critical component for next generation electric power system, due to its high power density and long cycle life. In this study, a novel electrode material with quasi-core-shell structure, consisting of negatively charged few layer Ti3C2 nanosheets (FL-Ti3C2) and positively charged polyethyleneimine as building blocks, has been prepared by using an electrostatic layer-by-layer self-assembly method, with highly conductive Ni foam to be used as the skeleton. The unique quasi-core-shell structured ultrathin Ti3C2 nanosheets provide an excellent electron channel, ion transport channel and large effective contact area, thus leading to a great improvement in electrochemical performance of the material. The specific capacitance of the binder-free FL-Ti3C2@Ni foam electrodes reaches 370 F g-1 at the scan rate of 2 mV s-1 and a specific capacitance of 117 F g-1 is obtained even at the scan rate of 1000 mV s-1 in the electrolyte of Li2SO4, indicating a high rate performance. In addition, this electrode shows a long-term cyclic stability with a loss of only 13.7% after 10,000 circles. Furthermore, quantitative analysis has been conducted to ensure the relationship between the capacitive contribution and the rate performance of the as-fabricated electrode.

  20. Ionospheric Profiling Through Nonlinear Dielectric Response to Electron Density*

    NASA Astrophysics Data System (ADS)

    Moses, R. W.; Jacobson, A. R.

    2002-12-01

    It is well known that the total electron content (TEC) along a line of sight in the ionosphere can be extracted from the frequency-dependent time lag measured in transionospheric RF signals [1]. For five years the FORTE satellite has been used to develop a substantial data base of transionospheric signals originating in both lightning and man-made sources. Here, we use signals generated by the Los Alamos Portable Pulser (LAPP) [2] and recorded by FORTE as input to a multi-layer computer model of RF wave propagation in the ionosphere, including Faraday rotation in the Earth's magnetic field. Nonlinearities in both the frequency dependence of the group velocity and the optical pathlength are modeled and matched to FORTE data to infer details of the vertical profile of electron density. Using the International Reference Ionosphere [3] as a profile model, we show how the vertical TEC, peak electron density, and ionospheric thickness can be extracted even at large transmitter-to-satellite separations. [1] Roussel-Dupre, R. A., A. R. Jacobson, and L. A. Triplett, Radio Sci., 36, 1615 (2001). [2] Massey, R.S., S.O. Knox, R.C. Franz, D.N. Holden, and C.T. Rhodes, Radio Sci., 33, 1739 (1998). [3] Bilitza, D., "International Reference Ionosphere 1990," NSSDC/WDC-A-R&S 90-92. *Work supported by USDOE

  1. Structures and Spectroscopic Properties of F-(H2O) n with n = 1-10 Clusters from a Global Search Based On Density Functional Theory.

    PubMed

    Shi, Ruili; Wang, Pengju; Tang, Lingli; Huang, Xiaoming; Chen, Yonggang; Su, Yan; Zhao, Jijun

    2018-04-05

    Using a genetic algorithm incorporated in density functional theory, we explore the ground state structures of fluoride anion-water clusters F - (H 2 O) n with n = 1-10. The F - (H 2 O) n clusters prefer structures in which the F - anion remains at the surface of the structure and coordinates with four water molecules, as the F - (H 2 O) n clusters have strong F - -H 2 O interactions as well as strong hydrogen bonds between H 2 O molecules. The strong interaction between the F - anion and adjacent H 2 O molecule leads to a longer O-H distance in the adjacent molecule than in an individual water molecule. The simulated infrared (IR) spectra of the F - (H 2 O) 1-5 clusters obtained via second-order vibrational perturbation theory (VPT2) and including anharmonic effects reproduce the experimental results quite well. The strong interaction between the F - anion and water molecules results in a large redshift (600-2300 cm -1 ) of the adjacent O-H stretching mode. Natural bond orbital (NBO) analysis of the lowest-energy structures of the F - (H 2 O) 1-10 clusters illustrates that charge transfer from the lone pair electron orbital of F - to the antibonding orbital of the adjacent O-H is mainly responsible for the strong interaction between the F - anion and water molecules, which leads to distinctly different geometric and vibrational properties compared with neutral water clusters.

  2. Double-atomic layer of Tl on Si(111): Atomic arrangement and electronic properties

    NASA Astrophysics Data System (ADS)

    Mihalyuk, Alexey N.; Bondarenko, Leonid V.; Tupchaya, Alexandra Y.; Gruznev, Dimitry V.; Chou, Jyh-Pin; Hsing, Cheng-Rong; Wei, Ching-Ming; Zotov, Andrey V.; Saranin, Alexander A.

    2018-02-01

    Metastable double-atomic layer of Tl on Si(111) has recently been found to display interesting electric properties, namely superconductivity below 0.96 K and magnetic-field-induced transition into an insulating phase intermediated by a quantum metal state. In the present work, using a set of experimental techniques, including low-energy electron diffraction, scanning tunneling microscopy, angle-resolved photoelectron spectroscopy, in a combination with density-functional-theory calculations, we have characterized atomic and electronic properties of the Tl double layer on Si(111). The double Tl layer has been concluded to contain ∼ 2.4 monolayer of Tl. A top Tl layer has a '1 × 1' basic structure and displays 6 × 6 moiré pattern which originates from various residence sites of Tl atoms. Upon cooling below ∼ 140 K, the 6 × 6 moiré pattern changes to that having a 6√{ 3} × 6√{ 3} periodicity. However, the experimentally determined electron band dispersions show a 1 × 1 periodicity. The calculated band structure unfolded into the 1 × 1 surface Brillouin zone reproduces well the main features of the photoelectron spectra.

  3. Electronic properties of atomic layer deposition films, anatase and rutile TiO2 studied by resonant photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Das, C.; Richter, M.; Tallarida, M.; Schmeisser, D.

    2016-07-01

    The TiO2 films are prepared by atomic layer deposition (ALD) method using titanium isopropoxide precursors at 250 °C and analyzed using resonant photoemission spectroscopy (resPES). We report on the Ti2p and O1s core levels, on the valence band (VB) spectra and x-ray absorption spectroscopy (XAS) data, and on the resonant photoelectron spectroscopy (resPES) profiles at the O1s and the Ti3p absorption edges. We determine the elemental abundance, the position of the VB maxima, the partial density of states (PDOS) in the VB and in the conduction band (CB) and collect these data in a band scheme. In addition, we analyze the band-gap states as well as the intrinsic states due to polarons and charge-transfer excitations. These states are found to cause multiple Auger decay processes upon resonant excitation. We identify several of these processes and determine their relative contribution to the Auger signal quantitatively. As our resPES data allow a quantitative analysis of these defect states, we determine the relative abundance of the PDOS in the VB and in CB and also the charge neutrality level. The anatase and rutile polymorphs of TiO2 are analyzed in the same way as the TiO2 ALD layer. The electronic properties of the TiO2 ALD layer are compared with the anatase and rutile polymorphs of TiO2. In our comparative study, we find that ALD has its own characteristic electronic structure that is distinct from that of anatase and rutile. However, many details of the electronic structure are comparable and we benefit from our spectroscopic data and our careful analysis to find these differences. These can be attributed to a stronger hybridization of the O2p and Ti3d4s states for the ALD films when compared to the anatase and rutile polymorphs.

  4. Microcrystalline silicon thin films deposited by matrix-distributed electron cyclotron resonance plasma enhanced chemical vapor deposition using an SiF4 /H2 chemistry

    NASA Astrophysics Data System (ADS)

    Wang, Junkang; Bulkin, Pavel; Florea, Ileana; Maurice, Jean-Luc; Johnson, Erik

    2016-07-01

    For the growth of hydrogenated microcrystalline silicon (μc-Si:H) thin films by low temperature plasma-enhanced chemical vapor deposition (PECVD), silicon tetrafluoride (SiF4) has recently attracted interest as a precursor due to the resilient optoelectronic performance of the resulting material and devices. In this work, μc-Si:H films are deposited at high rates (7 Å s-1) from a SiF4 and hydrogen (H2) gas mixture by matrix-distributed electron cyclotron resonance PECVD (MDECR-PECVD). Increased substrate temperature and moderate ion bombardment energy (IBE) are demonstrated to be of vital importance to achieve high quality μc-Si:H films under such low process pressure and high plasma density conditions, presumably due to thermally-induced and ion-induced enhancement of surface species migration. Two well-defined IBE thresholds at 12 eV and 43 eV, corresponding respectively to SiF+ ion-induced surface and bulk atomic displacement, are found to be determinant to the final film properties, namely the surface roughness, feature size and crystalline content. Moreover, a study of the growth dynamics shows that the primary challenge to producing highly crystallized μc-Si:H films by MDECR-PECVD appears to be the nucleation step. By employing a two-step method to first prepare a highly crystallized seed layer, μc-Si:H films lacking any amorphous incubation layer have been obtained. A crystalline volume fraction of 68% is achieved with a substrate temperature as low as 120 °C, which is of great interest to broaden the process window for solar cell applications.

  5. Effects of fO2, fH2O and aoxide on formation and density of extended planar defects in olivine

    NASA Astrophysics Data System (ADS)

    Burgess, K.; Cooper, R. F.

    2011-12-01

    Melt inclusions are used in geochemistry to inform our understanding of many physiochemical processes taking place in the mantle, such as melting, melt-rock interactions and magma mixing. Fundamental to this interpretation of melt inclusions is the assumption that they act as closed systems, i.e., they are chemically isolated after trapping and preserve primitive magma compositions. However, recent work indicates that volatiles (e.g., H and F) can be rapidly reset [Portnyagin et al., 2008], and the diffusion mechanisms and rates in tracer diffusion experiments, specifically of REEs, are a matter of some debate [Spandler and O'Neill, 2010; Cherniak, 2010]. The compendium of observations and experiments suggests a role of planar extended defects in effecting and affecting diffusion kinetics in olivine. Planar extended defects are the exothermic condensation of charged point defects into two-dimensional structures, their third dimension insufficient (i.e., sub-unit cell) to describe them as a unique phase. These planar defects, in a manner similar to mechanisms of "pipe" diffusion along dislocations and of grain boundary diffusion, can lead to measured diffusivities far greater than the lattice diffusivity, and their overall effect on flux is proportional to their spatial density [cf. Hart, 1957]. High-resolution TEM and AEM investigation of experimental olivine-basalt samples show the presence of planar defects near the olivine-melt interface, with the area fraction of the high-contrast defects in the images being greatest at high fO2 and/or fH2O while temperature has an effect on the defect dimensions but not total areal density. EDS analysis of the interface regions indicate high Ti/Ca and Ti/Al ratios compared to the glass; the stability of intercalated humite-type defects in olivine, a planar defect type found in some natural olivines [e.g., Risold et al., 2001; Hermann et al., 2007], is increased to higher temperature by the incorporation of Ti. Activities of

  6. Late-Time Mixing Sensitivity to Initial Broadband Surface Roughness in High-Energy-Density Shear Layers

    DOE PAGES

    Flippo, K. A.; Doss, F. W.; Kline, J. L.; ...

    2016-11-23

    While using a large volume high-energy-density fluid shear experiment ( 8.5 cm 3 ) at the National Ignition Facility, we have demonstrated for the first time the ability to significantly alter the evolution of a supersonic sheared mixing layer by controlling the initial conditions of that layer. Furthermore, by altering the initial surface roughness of the tracer foil, we demonstrate the ability to transition the shear mixing layer from a highly ordered system of coherent structures to a randomly ordered system with a faster growing mix layer, indicative of strong mixing in the layer at a temperature of severalmore » tens of electron volts and at near solid density. Moreover, simulations using a turbulent-mix model show good agreement with the experimental results and poor agreement without turbulent mix.« less

  7. Nonlinear absorption in single LaF3 and MgF2 layers at 193 nm measured by surface sensitive laser induced deflection technique

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Muehlig, Christian; Bublitz, Simon; Kufert, Siegfried

    2009-12-10

    We report nonlinear absorption data of LaF3 and MgF2 single layers at 193 nm. A highly surface sensitive measurement strategy of the laser induced deflection technique is introduced and applied to measure the absorption of highly transparent thin films independently of the substrate absorption. Linear absorptions k=({alpha}x{lambda})/4{pi} of 2x10{sup -4} and 8.5x10{sup -4} (LaF3) and 1.8x10{sup -4} and 6.9x10{sup -4} (MgF2) are found. Measured two photon absorption (TPA) coefficients are {beta}=1x10{sup -4} cm/W (LaF3), 1.8x10{sup -5}, and 5.8x10{sup -5} cm/W (MgF2). The TPA coefficients are several orders of magnitude higher than typical values for fluoride single crystals, which is likelymore » to result from sequential two step absorption processes.« less

  8. Shellac Films as a Natural Dielectric Layer for Enhanced Electron Transport in Polymer Field-Effect Transistors.

    PubMed

    Baek, Seung Woon; Ha, Jong-Woon; Yoon, Minho; Hwang, Do-Hoon; Lee, Jiyoul

    2018-06-06

    Shellac, a natural polymer resin obtained from the secretions of lac bugs, was evaluated as a dielectric layer in organic field-effect transistors (OFETs) on the basis of donor (D)-acceptor (A)-type conjugated semiconducting copolymers. The measured dielectric constant and breakdown field of the shellac layer were ∼3.4 and 3.0 MV/cm, respectively, comparable with those of a poly(4-vinylphenol) (PVP) film, a commonly used dielectric material. Bottom-gate/top-contact OFETs were fabricated with shellac or PVP as the dielectric layer and one of three different D-A-type semiconducting copolymers as the active layer: poly(cyclopentadithiophene- alt-benzothiadiazole) with p-type characteristics, poly(naphthalene-bis(dicarboximide)- alt-bithiophene) [P(NDI2OD-T2)] with n-type characteristics, and poly(dithienyl-diketopyrrolopyrrole- alt-thienothiophene) [P(DPP2T-TT)] with ambipolar characteristics. The electrical characteristics of the fabricated OFETs were then measured. For all active layers, OFETs with a shellac film as the dielectric layer exhibited a better mobility than those with PVP. For example, the mobility of the OFET with a shellac dielectric and n-type P(NDI2OD-T2) active layer was approximately 2 orders of magnitude greater than that of the corresponding OFET with a PVP insulating layer. When P(DPP2T-TT) served as the active layer, the OFET with shellac as the dielectric exhibited ambipolar characteristics, whereas the corresponding OFET with the PVP dielectric operated only in hole-accumulation mode. The total density of states was analyzed using technology computer-aided design simulations. The results revealed that compared with the OFETs with PVP as the dielectric, the OFETs with shellac as the dielectric had a lower trap-site density at the polymer semiconductor/dielectric interface and much fewer acceptor-like trap sites acting as electron traps. These results demonstrate that shellac is a suitable dielectric material for D-A-type semiconducting

  9. A double-layer based model of ion confinement in electron cyclotron resonance ion source.

    PubMed

    Mascali, D; Neri, L; Celona, L; Castro, G; Torrisi, G; Gammino, S; Sorbello, G; Ciavola, G

    2014-02-01

    The paper proposes a new model of ion confinement in ECRIS, which can be easily generalized to any magnetic configuration characterized by closed magnetic surfaces. Traditionally, ion confinement in B-min configurations is ascribed to a negative potential dip due to superhot electrons, adiabatically confined by the magneto-static field. However, kinetic simulations including RF heating affected by cavity modes structures indicate that high energy electrons populate just a thin slab overlapping the ECR layer, while their density drops down of more than one order of magnitude outside. Ions, instead, diffuse across the electron layer due to their high collisionality. This is the proper physical condition to establish a double-layer (DL) configuration which self-consistently originates a potential barrier; this "barrier" confines the ions inside the plasma core surrounded by the ECR surface. The paper will describe a simplified ion confinement model based on plasma density non-homogeneity and DL formation.

  10. Ionospheric electron density response to solar flares as viewed by Digisondes

    NASA Astrophysics Data System (ADS)

    Handzo, R.; Forbes, J. M.; Reinisch, Bodo

    2014-04-01

    Solar flares are explosive events on the Sun that release energetic particles, X-rays, EUV, and radio emissions that have an almost immediate impact on Earth's ionosphere-thermosphere (IT) system and/or on operational systems that are affected by IT conditions. To assess such impacts, it is a key that we know how the ionosphere is modified. An objective of this paper is to evaluate how digisondes might serve in this role. Toward this end we utilize data from the Millstone Hill digisonde to reveal the height versus time bottomside F region responses to three X-class flares (X28, X8.3, and X1.7) at a middle latitude site. In terms of percent increase with respect to a preflare hourly mean, the long-lived (> 15-30 min) responses to these flares maximize between about 150 and 250 km and measurably last ~0.75-1.5 h after flare maximum. The relative magnitudes of these responses are complicated by flare position on the solar disk, which determines how much of the EUV solar emissions are attenuated by the solar atmosphere. At Millstone Hill there was little measurable response to these flares near the F2 layer peak; however, at the magnetic equator location of Jicamarca, the F2 peak electron density increased by ~15-40%. Herein, all of these flare response characteristics are interpreted in terms of available modeling results. We propose that such digisonde data, in combination with first-principles models and high-resolution measurements of solar EUV flux emissions (e.g., from Solar Dynamics Observatory/EUV Variability Experiment), can lead us to a deeper understanding of the ionospheric photochemistry and dynamics that underlies a predictive capability.

  11. A successive ionic layer adsorption and reaction (SILAR) method to fabricate a layer-by-layer (LbL) MnO2-reduced graphene oxide assembly for supercapacitor application

    NASA Astrophysics Data System (ADS)

    Jana, Milan; Saha, Sanjit; Samanta, Pranab; Murmu, Naresh Chandra; Kim, Nam Hoon; Kuila, Tapas; Lee, Joong Hee

    2017-02-01

    A facile, cost effective and additive-free successive ionic layer adsorption and reaction (SILAR) technique is demonstrated to develop layer-by-layer (LbL) assembly of reduced graphene oxide (RGO) and MnO2 (MnO2-RGOSILAR) on a stainless steel current collector, for designing light-weight and small size supercapacitor electrode. The transmission electron microscopy and field emission scanning electron microscopy images shows uniform distribution of RGO and MnO2 in the MnO2-RGOSILAR. The LbL (MnO2-RGOSILAR) demonstrates improved physical and electrochemical properties over the hydrothermally prepared MnO2-RGO (MnO2-RGOHydro). The electrochemical environment of MnO2-RGOSILAR is explained by constant phase element in the high frequency region, and a Warburg element in the low frequency region in the Z-View fitted Nyquist plot. The equivalent circuit of the MnO2-RGOHydro, displays the co-existence of EDL and constant phase element, indicating inhomogeneous distribution of MnO2 and RGO by the hydrothermal technique. An asymmetric supercapacitor device is designed with MnO2-RGOSILAR as positive electrode, and thermally reduced GO (TRGO) as negative electrode. The designed cell exhibits high energy density of ∼88 Wh kg-1, elevated power density of ∼23,200 W kg-1, and ∼79% retention in capacitance after 10,000 charge-discharge cycles.

  12. Inverted organic photovoltaic device with a new electron transport layer

    NASA Astrophysics Data System (ADS)

    Kim, Hyeong Pil; Yusoff, Abd Rashid bin Mohd; Kim, Hyo Min; Lee, Hee Jae; Seo, Gi Jun; Jang, Jin

    2014-03-01

    We demonstrate that there is a new solution-processed electron transport layer, lithium-doped zinc oxide (LZO), with high-performance inverted organic photovoltaic device. The device exhibits a fill factor of 68.58%, an open circuit voltage of 0.86 V, a short-circuit current density of -9.35 cm/mA2 along with 5.49% power conversion efficiency. In addition, we studied the performance of blend ratio dependence on inverted organic photovoltaics. Our device also demonstrates a long stability shelf life over 4 weeks in air.

  13. Noble metal (Pt or Au)-doped monolayer MoS2 as a promising adsorbent and gas-sensing material to SO2, SOF2 and SO2F2: a DFT study

    NASA Astrophysics Data System (ADS)

    Chen, Dachang; Zhang, Xiaoxing; Tang, Ju; Cui, Hao; Li, Yi

    2018-02-01

    We explored the adsorption of SO2, SOF2, and SO2F2 on Pt- or Au-doped MoS2 monolayer based on density functional theory. The adsorption energy, adsorption distance, charge transfer as well as density of states were discussed. SO2 and SOF2 exhibit strong chemical interactions with Pt-doped MoS2 based on large adsorption energy, charge transfer, and changes of electron orbitals in gas molecule. SO2 also shows obvious chemisorption on Au-doped MoS2 with apparent magnetism transfer from Au to gas molecules. The adsorption of SO2F2 on Pt-MoS2 and SOF2 on Au-MoS2 exhibits weaker chemical interactions and SO2F2 losses electrons when adsorbed on Pt-MoS2 which is different from other gas adsorption. The adsorption of SO2F2 on Au-MoS2 represents no obvious chemical interaction but physisorption. The gas-sensing properties are also evaluated based on DFT results. This work could provide prospects and application value for typical noble metal-doped MoS2 as gas-sensing materials.

  14. s-wave threshold in electron attachment - Results in 2-C4F6 and CFCl3 at ultra-low electron energies

    NASA Technical Reports Server (NTRS)

    Chutjian, A.; Alajajian, S. H.; Ajello, J. M.; Orient, O. J.

    1984-01-01

    Electron attachment lineshapes and cross sections are reported for the processes 2-C4F6(-)/2-C4F6 and Cl(-)/CFCl3 at electron energies of 0-120 and 0-140 meV, and at resolutions of 6 and 7 meV (FWHM), respectively. As in previous measurements in CCl4 and SF6, the results show resolution-limited narrow structure in the cross section at electron energies below 15 meV. This structure arises from the divergence of the s-wave cross section in the limit of zero electron energy. Comparisons are given with swarm-measured results, and with collisional ionization (high-Rydberg attachment) data in this energy range.

  15. Li(x)FeF6 (x = 2, 3, 4) battery materials: structural, electronic and lithium diffusion properties.

    PubMed

    Schroeder, Melanie; Eames, Christopher; Tompsett, David A; Lieser, Georg; Islam, M Saiful

    2013-12-21

    Lithium iron fluoride materials have attracted recent interest as cathode materials for lithium ion batteries. The electrochemical properties of the high energy density Li(x)FeF6 (x = 2, 3, 4) materials have been evaluated using a combination of potential-based and DFT computational methods. Voltages of 6.1 V and 3.0 V are found for lithium intercalation from Li2FeF6 to α-Li3FeF6 and α-Li3FeF6 to Li4FeF6 respectively. The calculated density of states indicate that Li2FeF6 possesses metallic states that become strongly insulating after lithium intercalation to form α-Li3FeF6. The large energy gain associated with this metal-insulator transition is likely to contribute to the associated large voltage of 6.1 V. Molecular dynamics simulations of lithium diffusion in α-Li3FeF6 at typical battery operating temperatures indicate high lithium-ion mobility with low activation barriers. These results suggest the potential for good rate performance of lithium iron fluoride cathode materials.

  16. Progress in Electron Beam Mastering of 100 Gbit/inch2 Density Disc

    NASA Astrophysics Data System (ADS)

    Takeda, Minoru; Furuki, Motohiro; Yamamoto, Masanobu; Shinoda, Masataka; Saito, Kimihiro; Aki, Yuichi; Kawase, Hiroshi; Koizumi, Mitsuru; Miyokawa, Toshiaki; Mutou, Masao; Handa, Nobuo

    2004-07-01

    We developed an electron beam recorder (EBR) capable of recording master discs under atmospheric conditions using a novel differential pumping head. Using the EBR and optimized fabrication process for Si-etched discs with reactive ion etching (RIE), a bottom signal jitter of 9.6% was obtained from a 36 Gbit/inch2 density disc, readout using a near-field optical pickup with an effective numerical aperture (NA) of 1.85 and a wavelength of 405 nm. We also obtained the eye patterns from a 70 Gbit/inch2 density disc readout using an optical pickup with a 2.05 NA and the same wavelength, and showed almost the same modulation ratio as the simulation value. Moreover, the capability of producing pit patterns corresponding to a 104 Gbit/inch2 density is demonstrated.

  17. Tunable phase transition in single-layer TiSe2 via electric field

    NASA Astrophysics Data System (ADS)

    Liu, Lei; Zhuang, Houlong L.

    2018-06-01

    Phase transition represents an intriguing physical phenomenon that exists in a number of single-layer transition-metal dichalcogenides. This phenomenon often occurs below a critical temperature and breaks the long-range crystalline order leading to a reconstructed superstructure called the charge-density wave (CDW) structure, which can therefore be recovered by external stimuli such as temperature. Alternatively, we show here that another external stimulation, electric field can also result in the phase transition between the regular and CDW structures of a single-layer transition-metal dichalcogenide. We used single-layer TiSe2 as an example to elucidate the mechanism of the CDW followed by calculations of the electronic structure using a hybrid density functional. We found that applying electric field can tune the phase transition between the 1T and CDW phases of single-layer TiSe2. Our work opens up a route of tuning the phase transition of single-layer materials via electric field.

  18. F3-layer and MSTIDs under the equatorial ionospheric anomaly crest

    NASA Astrophysics Data System (ADS)

    Fagundes, Paulo Roberto; Klausner, Virginia; Sahai, Yogeshwar; Bittencourt, Jose A.; Abalde Guede, Jose Ricardo

    We present F3-layer and medium-scale traveling ionospheric disturbances (MSTIDs) observa-tions from a digital ionosonde installed at São José dos Campos (23.2° S, 45.0° W; dip latitude a 17.6° S), under the southern crest of the equatorial ionization anomaly (EIA) region. In this study we have used ionospheric data from September 2000 to August 2001 representing high solar activity (HSA) and ionospheric data from January 2006 to December 2006 representing low solar activity (LSA) to study the F3-layer characteristics at low latitude. The present investigation shows that the F3-layer occurrence is very larger during HSA as compared with during LSA. Also, during HSA there is a clear seasonal variation with maximum occurrence during January, February, November and December (summer months in South America) and minimum during May, June, July and August (winter months in South America). However, there is no clear seasonal variation in occurrence characteristics of F3-layer during LSA. Since, our previous work and present observations show that MSTIDs occurrences have similar re-sponse to the solar cycle; therefore, we suggest that both F3-layer and MSTIDs have strong connection.

  19. Density of Electronic States in Impurity-Doped Quantum Well Wires

    NASA Astrophysics Data System (ADS)

    Sierra-Ortega, J.; Mikhailov, I. D.

    2003-03-01

    We analyze the electronic states in a cylindrical quantum well-wire (QWW) with randomly distributed neutral, D^0 and negatively charged D^- donors. In order to calculate the ground state energies of the off-center donors D^0 and D^- as a function of the distance from the axis of the QWW, we use the recently developed fractal dimension method [1]. There the problems are reduced to those similar for a hydrogen-like atom and a negative-hydrogen-like ion respectively, in an isotropic effective space with variable fractional dimension. The numerical trigonometric sweep method [2] and the three-parameter Hylleraas-type trial function are used to solve these problems. Novel curves for the density of impurity states in cylindrical QWWs with square-well, parabolic and soft-edge barrier potentials are present. Additionally we analyze the effect of the repulsive core on the density of the impurity states. [1] I.D. Mikhailov, F. J. Betancur, R. Escorcia and J. Sierra-Ortega, Phys. Stat. Sol., 234(b), 590 (2002) [2] F. J. Betancur, I. D. Mikhailov and L. E. Oliveira, J. Appl. Phys. D, 31, 3391(1998)

  20. Probing in-plane anisotropy in few-layer ReS2 using low frequency noise measurement.

    PubMed

    Mitra, Richa; Jariwala, Bhakti; Bhattacharya, Arnab; Das, Anindya

    2018-02-19

    ReS 2 , a layered two-dimensional material popular for its in-plane anisotropic properties, is emerging as one of the potential candidates for flexible electronics and ultrafast optical applications. It is an n-type semiconducting material having a layer independent bandgap of 1.55 eV. In this paper we have characterized the intrinsic electronic noise level of few-layer ReS 2 for the first time. Few-layer ReS 2 field effect transistor devices show a 1/f nature of noise for frequency ranging over three orders of magnitude. We have also observed that not only the electrical response of the material is anisotropic; the noise level is also dependent on direction. In fact the noise is found to be more sensitive towards the anisotropy. This fact has been explained by evoking the theory where the Hooge parameter is not a constant quantity, but has a distinct power law dependence on mobility along the two-axes direction. The anisotropy in 1/f noise measurement will pave the way to quantify the anisotropic nature of two-dimensional (2D) materials, which will be helpful for the design of low-noise transistors in future.

  1. Probing in-plane anisotropy in few-layer ReS2 using low frequency noise measurement

    NASA Astrophysics Data System (ADS)

    Mitra, Richa; Jariwala, Bhakti; Bhattacharya, Arnab; Das, Anindya

    2018-04-01

    ReS2, a layered two-dimensional material popular for its in-plane anisotropic properties, is emerging as one of the potential candidates for flexible electronics and ultrafast optical applications. It is an n-type semiconducting material having a layer independent bandgap of 1.55 eV. In this paper we have characterized the intrinsic electronic noise level of few-layer ReS2 for the first time. Few-layer ReS2 field effect transistor devices show a 1/f nature of noise for frequency ranging over three orders of magnitude. We have also observed that not only the electrical response of the material is anisotropic; the noise level is also dependent on direction. In fact the noise is found to be more sensitive towards the anisotropy. This fact has been explained by evoking the theory where the Hooge parameter is not a constant quantity, but has a distinct power law dependence on mobility along the two-axes direction. The anisotropy in 1/f noise measurement will pave the way to quantify the anisotropic nature of two-dimensional (2D) materials, which will be helpful for the design of low-noise transistors in future.

  2. 2D electron density profile measurement in tokamak by laser-accelerated ion-beam probe.

    PubMed

    Chen, Y H; Yang, X Y; Lin, C; Wang, L; Xu, M; Wang, X G; Xiao, C J

    2014-11-01

    A new concept of Heavy Ion Beam Probe (HIBP) diagnostic has been proposed, of which the key is to replace the electrostatic accelerator of traditional HIBP by a laser-driven ion accelerator. Due to the large energy spread of ions, the laser-accelerated HIBP can measure the two-dimensional (2D) electron density profile of tokamak plasma. In a preliminary simulation, a 2D density profile was reconstructed with a spatial resolution of about 2 cm, and with the error below 15% in the core region. Diagnostics of 2D density fluctuation is also discussed.

  3. The electron localization as the information content of the conditional pair density

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Urbina, Andres S.; Torres, F. Javier; Universidad San Francisco de Quito

    2016-06-28

    In the present work, the information gained by an electron for “knowing” about the position of another electron with the same spin is calculated using the Kullback-Leibler divergence (D{sub KL}) between the same-spin conditional pair probability density and the marginal probability. D{sub KL} is proposed as an electron localization measurement, based on the observation that regions of the space with high information gain can be associated with strong correlated localized electrons. Taking into consideration the scaling of D{sub KL} with the number of σ-spin electrons of a system (N{sup σ}), the quantity χ = (N{sup σ} − 1) D{sub KL}f{submore » cut} is introduced as a general descriptor that allows the quantification of the electron localization in the space. f{sub cut} is defined such that it goes smoothly to zero for negligible densities. χ is computed for a selection of atomic and molecular systems in order to test its capability to determine the region in space where electrons are localized. As a general conclusion, χ is able to explain the electron structure of molecules on the basis of chemical grounds with a high degree of success and to produce a clear differentiation of the localization of electrons that can be traced to the fluctuation in the average number of electrons in these regions.« less

  4. False-color representation of electron-density structures of the polar ionosphere

    NASA Astrophysics Data System (ADS)

    Schlegel, K.

    The use of false-color displays to represent EISCAT electron-density measurements for the polar E and F regions is described and demonstrated. Consideration is given to images of a spring sunrise, wavelike structures, the total-electron-content trough, E-region structures, and midnight-sun phenomena. It is suggested that examination of false-color images can facilitate the selection of structures for more detailed analysis.

  5. Progress on Electronic and Optoelectronic Devices of 2D Layered Semiconducting Materials.

    PubMed

    Wang, Feng; Wang, Zhenxing; Jiang, Chao; Yin, Lei; Cheng, Ruiqing; Zhan, Xueying; Xu, Kai; Wang, Fengmei; Zhang, Yu; He, Jun

    2017-09-01

    2D layered semiconducting materials (2DLSMs) represent the thinnest semiconductors, holding many novel properties, such as the absence of surface dangling bonds, sizable band gaps, high flexibility, and ability of artificial assembly. With the prospect of bringing revolutionary opportunities for electronic and optoelectronic applications, 2DLSMs have prospered over the past twelve years. From materials preparation and property exploration to device applications, 2DLSMs have been extensively investigated and have achieved great progress. However, there are still great challenges for high-performance devices. In this review, we provide a brief overview on the recent breakthroughs in device optimization based on 2DLSMs, particularly focussing on three aspects: device configurations, basic properties of channel materials, and heterostructures. The effects from device configurations, i.e., electrical contacts, dielectric layers, channel length, and substrates, are discussed. After that, the affect of the basic properties of 2DLSMs on device performance is summarized, including crystal defects, crystal symmetry, doping, and thickness. Finally, we focus on heterostructures based on 2DLSMs. Through this review, we try to provide a guide to improve electronic and optoelectronic devices of 2DLSMs for achieving practical device applications in the future. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Inverted polymer fullerene solar cells exceeding 10% efficiency with poly(2-ethyl-2-oxazoline) nanodots on electron-collecting buffer layers

    PubMed Central

    Nam, Sungho; Seo, Jooyeok; Woo, Sungho; Kim, Wook Hyun; Kim, Hwajeong; Bradley, Donal D. C.; Kim, Youngkyoo

    2015-01-01

    Polymer solar cells have been spotlighted due to their potential for low-cost manufacturing but their efficiency is still less than required for commercial application as lightweight/flexible modules. Forming a dipole layer at the electron-collecting interface has been suggested as one of the more attractive approaches for efficiency enhancement. However, only a few dipole layer material types have been reported so far, including only one non-ionic (charge neutral) polymer. Here we show that a further neutral polymer, namely poly(2-ethyl-2-oxazoline) (PEOz) can be successfully used as a dipole layer. Inclusion of a PEOz layer, in particular with a nanodot morphology, increases the effective work function at the electron-collecting interface within inverted solar cells and thermal annealing of PEOz layer leads to a state-of-the-art 10.74% efficiency for single-stack bulk heterojunction blend structures comprising poly[4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b:4,5-b′]dithiophene-alt-3-fluorothieno[3,4-b]thiophene-2-carboxylate] as donor and [6,6]-phenyl-C71-butyric acid methyl ester as acceptor. PMID:26656447

  7. Metallic atomically-thin layered silicon epitaxially grown on silicene/ZrB 2

    DOE PAGES

    Gill, Tobias G.; Fleurence, Antoine; Warner, Ben; ...

    2017-02-17

    We observe a new two-dimensional (2D) silicon crystal, using low energy electron diffraction (LEED) and scanning tunnelling microscopy (STM) and it's formed by depositing additional Si atoms onto spontaneously-formed epitaxial silicene on a ZrB 2 thin film. From scanning tunnelling spectroscopy (STS) studies, we find that this atomically-thin layered silicon has distinctly different electronic properties. Angle resolved photoelectron spectroscopy (ARPES) reveals that, in sharp contrast to epitaxial silicene, the layered silicon exhibits significantly enhanced density of states at the Fermi level resulting from newly formed metallic bands. Furthermore, the 2D growth of this material could allow for direct contacting tomore » the silicene surface and demonstrates the dramatic changes in electronic structure that can occur by the addition of even a single monolayer amount of material in 2D systems.« less

  8. Photoemission study of the electronic structure and charge density waves of Na2Ti2Sb2O.

    PubMed

    Tan, S Y; Jiang, J; Ye, Z R; Niu, X H; Song, Y; Zhang, C L; Dai, P C; Xie, B P; Lai, X C; Feng, D L

    2015-04-30

    The electronic structure of Na2Ti2Sb2O single crystal is studied by photon energy and polarization dependent angle-resolved photoemission spectroscopy (ARPES). The obtained band structure and Fermi surface agree well with the band structure calculation of Na2Ti2Sb2O in the non-magnetic state, which indicates that there is no magnetic order in Na2Ti2Sb2O and the electronic correlation is weak. Polarization dependent ARPES results suggest the multi-band and multi-orbital nature of Na2Ti2Sb2O. Photon energy dependent ARPES results suggest that the electronic structure of Na2Ti2Sb2O is rather two-dimensional. Moreover, we find a density wave energy gap forms below the transition temperature and reaches 65 meV at 7 K, indicating that Na2Ti2Sb2O is likely a weakly correlated CDW material in the strong electron-phonon interaction regime.

  9. Reaching state-of-the art requirements for MIM capacitors with a single-layer anodic Al2O3 dielectric and imprinted electrodes

    NASA Astrophysics Data System (ADS)

    Hourdakis, Emmanouel; Nassiopoulou, Androula G.

    2017-07-01

    Metal-Insulator-Metal (MIM) capacitors with a high capacitance density and low non-linearity coefficient using a single-layer dielectric of barrier-type anodic alumina (Al2O3) and an imprinted bottom Al electrode are presented. Imprinting of the bottom electrode aimed at increasing the capacitor effective surface area by creating a three-dimensional MIM capacitor architecture. The bottom Al electrode was only partly nanopatterned so as to ensure low series resistance of the MIM capacitor. With a 3 nm thick anodic Al2O3 dielectric, the capacitor with the imprinted electrode showed a 280% increase in capacitance density compared to the flat electrode capacitor, reaching a value of 20.5 fF/μm2. On the other hand, with a 30 nm thick anodic Al2O3 layer, the capacitance density was 7.9 fF/μm2 and the non-linearity coefficient was as low as 196 ppm/V2. These values are very close to reaching all requirements of the last International Technology Roadmap for Semiconductors for MIM capacitors [ITRS, http://www.itrs2.net/2013-itrs.html for ITRS Roadmap (2013)], and they are achieved by a single-layer dielectric instead of the complicated dielectric stacks of the literature. The obtained results constitute a real progress compared to previously reported results by our group for MIM capacitors using imprinted electrodes.

  10. The effects of electron and hole transport layer with the electrode work function on perovskite solar cells

    NASA Astrophysics Data System (ADS)

    Deng, Quanrong; Li, Yiqi; Chen, Lian; Wang, Shenggao; Wang, Geming; Sheng, Yonglong; Shao, Guosheng

    2016-09-01

    The effects of electron and hole transport layer with the electrode work function on perovskite solar cells with the interface defects were simulated by using analysis of microelectronic and photonic structures-one-dimensional (AMPS-1D) software. The simulation results suggest that TiO2 electron transport layer provides best device performance with conversion efficiency of 25.9% compared with ZnO and CdS. The threshold value of back electrode work function for Spiro-OMeTAD, NiO, CuI and Cu2O hole transport layer are calculated to be 4.9, 4.8, 4.7 and 4.9 eV, respectively, to reach the highest conversion efficiency. The mechanisms of device physics with various electron and hole transport materials are discussed in details. The device performance deteriorates gradually as the increased density of interface defects located at ETM/absorber or absorber/HTM. This research results can provide helpful guidance for materials and metal electrode choice for perovskite solar cells.

  11. Variation of hmF2 and NmF2 deduced from DPS-4 over Multan (Pakistan) and their comparisons with IRI-2012 & IRI-2016 during the deep solar minimum between cycles 23 & 24

    NASA Astrophysics Data System (ADS)

    Ameen, Muhammad Ayyaz; Khursheed, Haqqa; Jabbar, Mehak Abdul; Ali, Muneeza Salman; Chishtie, Farrukh

    2018-04-01

    We report the results of ionospheric measurements from DPS-4 installed at Multan (Geog coord. 30.18°N, 71.48°E, dip 47.4°). The variations in F2-layer maximum electron density NmF2 and its peak height hmF2 are studied during the deep solar minimum between cycles 23 & 24 i.e 2008-2009 with comparisons conducted with the International Reference Ionosphere (IRI) versions 2012 & 2016. We find that the hmF2 observations peak around the pre-sunrise and sunrise hours depending on the month. Seasonally, the daytime variation of NmF2 is higher in the Equinox and Summer, while daytime hmF2 are slightly higher in the Equinox and Winter. High values of hmF2 around midnight are caused by an increase of upward drifts produced by meridional winds. The ionosphere over Multan, which lies at the verge of low and mid latitude, is affected by both E × B drifts and thermospheric winds as evident from mid-night peaks and near-sunrise dips in hmF2. The results of the comparison of the observed NmF2 and hmF2 for the year 2008-2009 with the IRI-2012 (both NmF2 and hmF2) and IRI-2016 (only hmF2) estimates indicate that for NmF2, IRI-2012 with Consultative Committee International Radio (CCIR) option produces values in better agreement with observed data. Whereas, for hmF2, IRI-2016 with both International Union of Radio Science (URSI) and CCIR SHU-2015 options, predicts well for nighttime hours throughout the year. However, the IRI-2012 with CCIR option produces better agreement with data during daytime hours. Furthermore, IRI-2012 with CCIR option gives better results during Equinox months, whereas, IRI-2016 with both URSI and CCIR SHU-2015 options predict well for Winter and Summer.

  12. Electronic, optical properties and chemical bonding in six novel 1111-like chalcogenide fluorides AMChF (A=Sr, Ba; M=Cu, Ag; and Ch=S, Se, Te) from first principles calculations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bannikov, V.V.; Shein, I.R.; Ivanovskii, A.L., E-mail: ivanovskii@ihim.uran.ru

    2012-12-15

    Employing first-principles band structure calculations, we have examined the electronic, optical properties and the peculiarities of the chemical bonding for six newly synthesized layered quaternary 1111-like chalcogenide fluorides SrAgSF, SrAgSeF, SrAgTeF, BaAgSF, BaAgSeF, and SrCuTeF, which are discussed in comparison with some isostructural 1111-like chalcogenide oxides. We found that all of the studied phases AMChF (A=Sr, Ba; M=Cu, Ag; and Ch=S, Se, Te) are semiconductors for which the fitted 'experimental' gaps lie in the interval from 2.23 eV (for SrAgSeF) to 3.07 eV (for SrCuTeF). The near-Fermi states of AMChF are formed exclusively by the valence orbitals of the atomsmore » from the blocks (MCh); thus, these phases belong to the layered materials with 'natural multiple quantum wells'. The bonding in these new AMChF phases is described as a high-anisotropic mixture of ionic and covalent contributions, where ionic M-Ch bonds together with covalent M-Ch and Ch-Ch bonds take place inside blocks (MCh), while inside blocks (AF) and between the adjacent blocks (MCh)/(AF) mainly ionic bonds emerge. - Graphical Abstract: Isoelectronic surface for SrAgSeF and atomic-resolved densities of states for SrAgTeF, and SrCuTeF. Highlights: Black-Right-Pointing-Pointer Very recently six new layered 1111-like chalcogenide fluorides AMChF were synthesized. Black-Right-Pointing-Pointer Electronic, optical properties for AMChF phases were examined from first principles. Black-Right-Pointing-Pointer All these materials are characterized as non-magnetic semiconductors. Black-Right-Pointing-Pointer Bonding is highly anisotropic and includes ionic and covalent contributions. Black-Right-Pointing-Pointer Introduction of magnetic ions in AMChF is proposed for search of novel magnetic materials.« less

  13. Multifunctional Inverse Opal-Like TiO2 Electron Transport Layer for Efficient Hybrid Perovskite Solar Cells.

    PubMed

    Chen, Xiao; Yang, Shuang; Zheng, Yi Chu; Chen, Ying; Hou, Yu; Yang, Xiao Hua; Yang, Hua Gui

    2015-09-01

    A novel multifunctional inverse opal-like TiO 2 electron transport layer (IOT-ETL) is designed to replace the traditional compact layer and mesoporous scaffold layer in perovskite solar cells (PSCs). Improved light harvesting efficiency and charge transporting performance in IOT-ETL based PSCs yield high power conversion efficiency of 13.11%.

  14. A novel radiochemical approach to 1-(2'-deoxy-2'-[(18) F]fluoro-β-d-arabinofuranosyl)cytosine ((18) F-FAC).

    PubMed

    Meyer, Jan-Philip; Probst, Katrin C; Trist, Iuni M L; McGuigan, Christopher; Westwell, Andrew D

    2014-09-01

    (18) F-FAC (1-(2'-deoxy-2'-[(18) F]fluoro-β-D-arabinofuranosyl)-cytosine) is an important 2'-fluoro-nucleoside-based positron emission tomography (PET) tracer that has been used for in vivo prediction of response to the widely used cancer chemotherapy drug gemcitabine. Previously reported synthetic routes to (18) F-FAC have relied on early introduction of the (18) F radiolabel prior to attachment to protected cytosine base. Considering the (18) F radiochemical half-life (110 min) and the technical challenges of multi-step syntheses on PET radiochemistry modular systems, late-stage radiofluorination is preferred for reproducible and reliable radiosynthesis with in vivo applications. Herein, we report the first late-stage radiosynthesis of (18) F-FAC. Cytidine derivatives with leaving groups at the 2'-position are particularly prone to undergo anhydro side-product formation upon heating because of their electron density at the 2-carbonyl pyrimidone oxygen. Our rationally developed fluorination precursor showed an improved reactivity-to-stability ratio at elevated temperatures. (18) F-FAC was obtained in radiochemical yields of 4.3-5.5% (n = 8, decay-corrected from end of bombardment), with purities ≥98% and specific activities ≥63 GBq/µmol. The synthesis time was 168 min. Copyright © 2014 John Wiley & Sons, Ltd.

  15. Photo-triggering and secondary electron produced ionization in electric discharge ArF* excimer lasers

    NASA Astrophysics Data System (ADS)

    Xiong, Zhongmin; Kushner, Mark J.

    2011-10-01

    Electric discharge excimer lasers are sustained in multi-atmosphere attaching gas mixtures that are typically preionized to enable a reproducible, uniform glow, which maximizes optical quality and gain. This preionization is often accomplished using UV light produced by a corona discharge within the plasma cavity. To quantify the relationship between corona discharge properties and those of the laser discharge, the triggering of electron avalanche by preionizing UV light in an electric discharge-pumped ArF* excimer laser was numerically investigated using a two-dimensional model. The preionizing UV fluxes were generated by a corona-bar discharge driven by the same voltage pulse as the main discharge sustained in a multi-atmospheric Ne/Ar/Xe/F2 gas mixture. The resulting peak photo-electron density in the inter-electrode spacing is around 108 cm-3, and its distribution is biased toward the UV source. The preionization density increases with increasing dielectric constant and capacitance of the corona bar. The symmetry and uniformity of the discharge are, however, improved significantly once the main avalanche develops. In addition to bulk electron impact ionization, the ionization generated by sheath accelerated secondary electrons was found to be important in sustaining the discharge current at experimentally observed values. At peak current, the magnitude of the ionization by sheath accelerated electrons is comparable to that from bulk electron impact in the vicinity of the cathode.

  16. Electron microscopy analyses and electrical properties of the layered Bi{sub 2}WO{sub 6} phase

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Taoufyq, A.; Laboratoire Matériaux et Environnement LME, Faculté des Sciences, Université Ibn Zohr, BP 8106, Cité Dakhla, Agadir, Maroc; Département d‘Études des Réacteurs, Laboratoire Dosimétrie Capteurs Instrumentation, CEA Cadarache

    2013-07-15

    The bismuth tungstate Bi{sub 2}WO{sub 6} was synthesized using a classical coprecipitation method followed by a calcination process at different temperatures. The samples were characterized by X-ray diffraction, simultaneous thermogravimetry and differential thermal analysis (TGA/DTA), scanning and transmission electron microscopy (SEM, TEM) analyses. The Rietveld analysis and electron diffraction clearly confirmed the Pca2{sub 1} non centrosymmetric space group previously proposed for this phase. The layers Bi{sub 2}O{sub 2}{sup 2+} and WO{sub 4}{sup 2−} have been directly evidenced from the HRTEM images. The electrical properties of Bi{sub 2}WO{sub 6} compacted pellets systems were determined from electrical impedance spectrometry (EIS) and directmore » current (DC) analyses, under air and argon, between 350 and 700 °C. The direct current analyses showed that the conduction observed from EIS analyses was mainly ionic in this temperature range, with a small electronic contribution. Electrical change above the transition temperature of 660 °C is observed under air and argon atmospheres. The strong conductivity increase observed under argon is interpreted in terms of formation of additional oxygen vacancies coupled with electron conduction. - Graphical abstract: High resolution transmission electron microscopy: inverse fast Fourier transform giving the layered structure of the Bi{sub 2}WO{sub 6} phase, with a representation of the cell dimensions (b and c vectors). The Bi{sub 2}O{sub 2}{sup 2+} and WO{sub 4}{sup 2−} sandwiches are visible in the IFFT image. - Highlights: • Using transmission electron microscopy, we visualize the layered structure of Bi{sub 2}WO{sub 6}. • Electrical analyses under argon gas show some increase in conductivity. • The phase transition at 660 °C is evidenced from electrical modification.« less

  17. Regional 3-D ionospheric electron density specification on the basis of data assimilation of ground-based GNSS and radio occultation data

    NASA Astrophysics Data System (ADS)

    Aa, Ercha; Liu, Siqing; Huang, Wengeng; Shi, Liqin; Gong, Jiancun; Chen, Yanhong; Shen, Hua; Li, Jianyong

    2016-06-01

    In this paper, a regional 3-D ionospheric electron density specification over China and adjacent areas (70°E-140°E in longitude, 15°N-55°N in latitude, and 100-900 km in altitude) is developed on the basis of data assimilation technique. The International Reference Ionosphere (IRI) is used as a background model, and a three-dimensional variational technique is used to assimilate both the ground-based Global Navigation Satellite System (GNSS) observations from the Crustal Movement Observation Network of China (CMONOC) and International GNSS Service (IGS) and the ionospheric radio occultation (RO) data from FORMOSAT-3/COSMIC (F3/C) satellites. The regional 3-D gridded ionospheric electron densities can be generated with temporal resolution of 5 min in universal time, horizontal resolution of 2° × 2° in latitude and longitude, and vertical resolution of 20 km between 100 and 500 km and 50 km between 500 and 900 km. The data assimilation results are validated through extensive comparison with several sources of electron density information, including (1) ionospheric total electron content (TEC); (2) Abel-retrieved F3/C electron density profiles (EDPs); (3) ionosonde foF2 and bottomside EDPs; and (4) the Utah State University Global Assimilation of Ionospheric Measurements (USU-GAIM) under both geomagnetic quiet and disturbed conditions. The validation results show that the data assimilation procedure pushes the climatological IRI model toward the observation, and a general accuracy improvement of 15-30% can be expected. Thecomparisons also indicate that the data assimilation results are more close to the Center for Orbit Determination of Europe (CODE) TEC and Madrigal TEC products than USU-GAIM. These initial results might demonstrate the effectiveness of the data assimilation technique in improving specification of local ionospheric morphology.

  18. New organic superconductors beta-(BDA-TTP)2X [BDA-TTP + 2,5-bis(1,3-dithian-2ylidene)-1,3,4,6-tetrathiapentalene; X(-) = SbF6(-), AsF6(-), and PF6(-)].

    PubMed

    Yamada, J; Watanabe, M; Akutsu, H; Nakatsuji, S; Nishikawa, H; Ikemoto, I; Kikuchi, K

    2001-05-09

    The synthesis, electrochemical properties, and molecular structure of a new pi-electron donor, 2,5-bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene (BDA-TTP), is described. In contrast to the hitherto-known tetrachalcogenafulvalene pi-donors providing organic superconductors, this donor contains only the bis-fused 1,3-dithiole-2-ylidene unit as a pi-electron system, yet produces a series of ambient-pressure superconductors beta-(BDA-TTP)2X [X = SbF6 (magnetic T(c) = 6.9 K, resistive T(c) = 7.5 K), AsF6 (magnetic T(c) = 5.9 K, resistive T(c) = 5.8 K), and PF6 (magnetic T(c) = 5.9 K)], which are isostructural. The values of the intermolecular overlap integrals calculated on the donor layers of these superconductors suggest a two-dimensional (2D) electronic structure with loose donor packing. Tight-binding band calculations also indicate that these superconductors have the 2D band dispersion relations and closed Fermi surfaces.

  19. Morphology of ionospheric F2 region variability associated with sudden stratospheric warmings

    NASA Astrophysics Data System (ADS)

    Gupta, Sumedha; Upadhayaya, A. K.

    2017-07-01

    The effect of sudden stratospheric warming (SSW) on the F2 region ionosphere has been extensively analyzed for the major event of year 2009, apart from a few reports on other major and minor events. Morphology of ionospheric responses during SSW can be better comprehended by analyzing such warming events under different solar, geomagnetic, and meteorological conditions. We investigate the features of F2 region variability following the SSW events of 2010, 2011, 2012, 2013, 2014, 2015, and 2016, using ionosonde data from the Asian region covering a broad latitudinal range from 26.6°N to 45.1°N. We find perceptible ionospheric variations in electron densities during these warming events which is accompanied by a large variation of 117% within enhancements, as compared to a meagre variation of 11% within depressions, during these events. We also examine 6 months data at these latitudes and longitudes and find that the maximum and minimum variations in F2 layer critical frequency are observed during each SSW period. The influence of quasi-stationary 16 day planetary waves is seen during these SSW events. Further, a recently proposed parameter "SSW integrated strength" by Vieira et al. (2017) to characterize SSW event with respect to ionosphere is also examined. It is seen that it does not fit well for these seven SSW events at these latitudes and longitudes.

  20. Comparison and characterization of different tunnel layers, suitable for passivated contact formation

    NASA Astrophysics Data System (ADS)

    Ling, Zhi Peng; Xin, Zheng; Ke, Cangming; Jammaal Buatis, Kitz; Duttagupta, Shubham; Lee, Jae Sung; Lai, Archon; Hsu, Adam; Rostan, Johannes; Stangl, Rolf

    2017-08-01

    Passivated contacts for solar cells can be realized using a variety of differently formed ultra-thin tunnel oxide layers. Assessing their interface properties is important for optimization purposes. In this work, we demonstrate the ability to measure the interface defect density distribution D it(E) and the fixed interface charge density Q f for ultra-thin passivation layers operating within the tunnel regime (<2 nm). Various promising tunnel layer candidates [i.e., wet chemically formed SiO x , UV photo-oxidized SiO x , and atomic layer deposited (ALD) AlO x ] are investigated for their potential application forming electron or hole selective tunnel layer passivated contacts. In particular, ALD AlO x is identified as a promising tunnel layer candidate for hole-extracting passivated contact formation, stemming from its high (negative) fixed interface charge density in the order of -6 × 1012 cm-2. This is an order of magnitude higher compared to wet chemically or UV photo-oxidized formed silicon oxide tunnel layers, while keeping the density of interface defect states D it at a similar level (in the order of ˜2 × 1012 cm-2 eV-1). This leads to additional field effect passivation and therefore to significantly higher measured effective carrier lifetimes (˜2 orders of magnitude). A surface recombination velocity of ˜40 cm/s has been achieved for a 1.5 nm thin ALD AlO x tunnel layer prior to capping by an additional hole transport material, like p-doped poly-Si or PEDOT:PSS.

  1. Layer Structured Bismuth Selenides of Bi2Se3 and Bi3Se4 for High Energy and Flexible All-Solid-State Micro-Supercapacitors.

    PubMed

    Hao, Chunxue; Wang, Lidan; Wen, Fusheng; Xiang, Jianyong; Li, Lei; Hu, Wentao; Liu, Zhongyuan

    2017-12-20

    Bismuth selenides (Bi2Se3 and Bi3Se4), both of which have the layered rhombohedral crystal structure, and found to be useful as electrode materials for supercapacitor application in this work. Bi2Se3 nanoplates as electrode material exhibit much better performance than that of Bi3Se4 nanoparticles in liquid electrolyte system (6 M KOH), which delivers a higher specific capacitance (272.9 F/g) than that of Bi3Se4 (193.6 F/g) at 5 mV/s. This result would may be attributed to that Bi2Se3 nanoplates possess more active electrochemical surfaces for the reversible surface redox reactions owing to its planar quintuple stacked layers (septuple layers for Bi3Se4). For the demand of electronic skin, we used a novel flexible annular interdigital structure electrode applying for all-solid-state micro-supercapacitors (AMSCs). Bi2Se3 AMSCs device delivers a much more excellent supercapacitor performance, exhibits a large stack capacitance 89.5 F/cm3 (Bi3Se4: 79.1 F/cm3) at 20 mV/s, a high energy density 17.9 mWh/cm3 and high power density 18.9 W/cm3. The bismuth selenides also exhibit good cycle stability, retention 95.5% (90.3%) after 1000 c for Bi2Se3 (Bi3Se4). Obviously, Bi2Se3 nanoplates can be promising electrode materials for flexible annular interdigital all-solid-sate supercapacitor. © 2017 IOP Publishing Ltd.

  2. Improved electrochemical performance of spinel LiMn(1.5)Ni(0.5)O4 through MgF2 nano-coating.

    PubMed

    Wu, Qing; Zhang, Xiaoping; Sun, Shuwei; Wan, Ning; Pan, Du; Bai, Ying; Zhu, Huiyuan; Hu, Yong-Sheng; Dai, Sheng

    2015-10-14

    A spinel LiMn1.5Ni0.5O4 (LMNO) cathode material synthesized by a sol-gel method is modified by MgF2 nano-coating via a wet coating strategy. The results of X-ray diffraction (XRD), Raman spectroscopy, field emission scanning electron microscopy (FESEM) and high resolution transmission electron microscopy (HRTEM) showed that the MgF2 nano-coating layers do not physically change the bulk structure of the pristine material. Compared with the pristine compound, the MgF2-coated LMNO electrodes display enhanced cycling stabilities. Particularly, the 5 wt% MgF2-coated LMNO demonstrates the best reversibility, with a capacity retention of 89.9% after 100 cycles, much higher than that of the pristine material, 69.3%. The dQ/dV analysis and apparent Li(+) diffusion coefficient calculation prove that the kinetic properties are enhanced after MgF2 surface modification, which partly explains the improved electrochemical performances. Electrochemical impedance spectroscopy (EIS) and Fourier transform infrared spectroscopy (FTIR) data confirm that the MgF2 coating layer helps in suppressing the fast growth of the solid electrolyte interface (SEI) film in repeated cycling, which effectively stabilizes the spinel structure. Additionally, differential scanning calorimetry (DSC) tests show that the MgF2 nano-coating layer also helps in enhancing the thermal stability of the LMNO cathode.

  3. Determination of the optimized single-layer ionospheric height for electron content measurements over China

    NASA Astrophysics Data System (ADS)

    Li, Min; Yuan, Yunbin; Zhang, Baocheng; Wang, Ningbo; Li, Zishen; Liu, Xifeng; Zhang, Xiao

    2018-02-01

    The ionosphere effective height (IEH) is a very important parameter in total electron content (TEC) measurements under the widely used single-layer model assumption. To overcome the requirement of a large amount of simultaneous vertical and slant ionospheric observations or dense "coinciding" pierce points data, a new approach comparing the converted vertical TEC (VTEC) value using mapping function based on a given IEH with the "ground truth" VTEC value provided by the combined International GNSS Service Global Ionospheric Maps is proposed for the determination of the optimal IEH. The optimal IEH in the Chinese region is determined using three different methods based on GNSS data. Based on the ionosonde data from three different locations in China, the altitude variation of the peak electron density (hmF2) is found to have clear diurnal, seasonal and latitudinal dependences, and the diurnal variation of hmF2 varies from approximately 210 to 520 km in Hainan. The determination of the optimal IEH employing the inverse method suggested by Birch et al. (Radio Sci 37, 2002. doi: 10.1029/2000rs002601) did not yield a consistent altitude in the Chinese region. Tests of the method minimizing the mapping function errors suggested by Nava et al. (Adv Space Res 39:1292-1297, 2007) indicate that the optimal IEH ranges from 400 to 600 km, and the height of 450 km is the most frequent IEH at both high and low solar activities. It is also confirmed that the IEH of 450-550 km is preferred for the Chinese region instead of the commonly adopted 350-450 km using the determination method of the optimal IEH proposed in this paper.

  4. Density functional theory determination of structural and electronic properties of struvite.

    PubMed

    Romanowski, Zbigniew; Kempisty, Paweł; Prywer, Jolanta; Krukowski, Stanisław; Torzewska, Agnieszka

    2010-07-29

    Crystallographic structure, total energy, electronic structure, and the most important elastic properties of struvite, NH(4)MgPO(4).6H(2)O, the main component of infectious urinary stones, are presented. The calculations were performed using ab initio full-electron calculations within the density functional theory-generalized gradient approximation (DFT-GGA) framework. The obtained crystallographic symmetry and the calculated lattice parameters and also the elastic constants are in good agreement with the experimental data. The elastic properties are essential for establishing an optimal response of urinary stones during shock-wave lithotripsy. The calculated electronic charge distribution confirms the layered structure of the struvite crystals. The polar character of the crystal, well-known from crystal growth experiments, was also confirmed by the magnitude of spontaneous polarization which was obtained from direct determination of the electrical dipole density. The calculated value of spontaneous polarization is equal to -8.8 microC cm(-2). This feature may play a key role in struvite crystallization, electrically binding the charged active impurities and other active species, and consequently determining urinary stone formation. We also present the results of our own experiment of the mineralization of struvite induced to growth by Proteus bacteria which are mainly isolated from infectious urinary stones.

  5. Organic electronic devices with multiple solution-processed layers

    DOEpatents

    Forrest, Stephen R.; Lassiter, Brian E.; Zimmerman, Jeramy D.

    2015-08-04

    A method of fabricating a tandem organic photosensitive device involves depositing a first layer of an organic electron donor type material film by solution-processing of the organic electron donor type material dissolved in a first solvent; depositing a first layer of an organic electron acceptor type material over the first layer of the organic electron donor type material film by a dry deposition process; depositing a conductive layer over the interim stack by a dry deposition process; depositing a second layer of the organic electron donor type material over the conductive layer by solution-processing of the organic electron donor type material dissolved in a second solvent, wherein the organic electron acceptor type material and the conductive layer are insoluble in the second solvent; depositing a second layer of an organic electron acceptor type material over the second layer of the organic electron donor type material film by a dry deposition process, resulting in a stack.

  6. Localized to itinerant transition of f electrons in ordered Ce films on W(110)

    NASA Astrophysics Data System (ADS)

    Chen, Q. Y.; Feng, W.; Xie, D. H.; Lai, X. C.; Zhu, X. G.; Huang, L.

    2018-04-01

    A key issue to understand the driving force and underlying physics in the isostructural γ -α transition in Cerium is the character of the 4 f states, whether it is localized or itinerant. Here the surface topography and electronic structure of the well-ordered Ce metal films on a W(110) substrate were investigated by using scanning tunneling microscopy, angle-resolved photoemission spectroscopy and density functional theory, and single-site dynamical mean-field theory calculations. Three nearly flat f bands can be observed, and a weakly dispersive quasiparticle band near the Fermi level has been directly observed at low temperature, indicating the hybridization between f electrons and conduction electrons in the low-temperature α phase. The hybridization strength becomes weaker upon increasing temperature, and the f electrons become almost fully localized at 300 K in the high-temperature γ phase. The observed localized-to-itinerant transition of the f electrons with decreasing temperature gives direct experimental proof for the changes of the 4 f character in the isostructural γ -α phase transition. Our results suggest that the character of the f electrons plays a crucial role during the γ -α phase transition.

  7. Dual roles of f electrons in mixing Al 3 p character into d -orbital conduction bands for lanthanide and actinide dialuminides

    DOE PAGES

    Altman, Alison B.; Pemmaraju, C. D.; Alayoglu, Selim; ...

    2018-01-15

    Correlated electron phenomena in lanthanide and actinide materials are driven by a complex interplay between the f and d orbitals. Here in this study, aluminum K-edge x-ray absorption spectroscopy and density functional theory calculations are used to evaluate the electronic structure of the dialuminides, MAl 2 (M = Ce, Sm, Eu, Yb, Lu, U, and Pu). The results show how the energy and occupancy of the 4f or 5f orbitals impacts mixing of Al 3p character into the 5d or 6d conduction bands, which has implications for understanding the magnetic and structural properties of correlated electron systems.

  8. Chalcogen- and halogen-bonds involving SX2 (X = F, Cl, and Br) with formaldehyde.

    PubMed

    Mo, Lixin; Zeng, Yanli; Li, Xiaoyan; Zhang, Xueying; Meng, Lingpeng

    2016-07-01

    The capacity of SX2 (X = F, Cl, and Br) to engage in different kinds of noncovalent bonds was investigated by ab initio calculations. SCl2 (SBr2) has two σ-holes upon extension of Cl (Br)-S bonds, and two σ-holes upon extension of S-Cl (Br) bonds. SF2 contains only two σ-holes upon extension of the F-S bond. Consequently, SCl2 and SBr2 form chalcogen and halogen bonds with the electron donor H2CO while SF2 forms only a chalcogen bond, i.e., no F···O halogen bond was found in the SF2:H2CO complex. The S···O chalcogen bond between SF2 and H2CO is the strongest, while the strongest halogen bond is Br···O between SBr2 and H2CO. The nature of these two types of noncovalent interaction was probed by a variety of methods, including molecular electrostatic potentials, QTAIM, energy decomposition, and electron density shift maps. Termolecular complexes X2S···H2CO···SX'2 (X = F, Cl, Br, and X' = Cl, Br) were constructed to study the interplay between chalcogen bonds and halogen bonds. All these complexes contained S···O and Cl (Br)···O bonds, with longer intermolecular distances, smaller values of electron density, and more positive three-body interaction energies, indicating negative cooperativity between the chalcogen bond and the halogen bond. In addition, for all complexes studied, interactions involving chalcogen bonds were more favorable than those involving halogen bonds. Graphical Abstract Molecular electrostatic potential and contour map of the Laplacian of the electron density in Cl2S···H2CO···SCl2 complex.

  9. 19.2% Efficient InP Heterojunction Solar Cell with Electron-Selective TiO2 Contact.

    PubMed

    Yin, Xingtian; Battaglia, Corsin; Lin, Yongjing; Chen, Kevin; Hettick, Mark; Zheng, Maxwell; Chen, Cheng-Ying; Kiriya, Daisuke; Javey, Ali

    2014-12-17

    We demonstrate an InP heterojunction solar cell employing an ultrathin layer (∼10 nm) of amorphous TiO 2 deposited at 120 °C by atomic layer deposition as the transparent electron-selective contact. The TiO 2 film selectively extracts minority electrons from the conduction band of p-type InP while blocking the majority holes due to the large valence band offset, enabling a high maximum open-circuit voltage of 785 mV. A hydrogen plasma treatment of the InP surface drastically improves the long-wavelength response of the device, resulting in a high short-circuit current density of 30.5 mA/cm 2 and a high power conversion efficiency of 19.2%.

  10. Electronic energy loss spectra from mono-layer to few layers of phosphorene

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mohan, Brij, E-mail: brijmohanhpu@yahoo.com; Thakur, Rajesh; Ahluwalia, P. K.

    2016-05-23

    Using first principles calculations, electronic and optical properties of few-layers phosphorene has been investigated. Electronic band structure show a moderate band gap of 0.9 eV in monolayer phosphorene which decreases with increasing number of layers. Optical properties of few-layers of phosphorene in infrared and visible region shows tunability with number of layers. Electron energy loss function has been plotted and huge red shift in plasmonic behaviours is found. These tunable electronic and optical properties of few-layers of phosphorene can be useful for the applications of optoelectronic devices.

  11. Auger spectroscopic examination of MgF2-coated Al mirrors before and after UV irradiation

    NASA Technical Reports Server (NTRS)

    Heaney, J. B.; Herzig, H.; Osantowski, J. F.

    1977-01-01

    Magnesium fluoride protected Al films were studied since these mirrors are commonly used in astronomical instruments whenever a highly reflecting optical surface is required in the wavelength region from 1100 A to 2000 A. Freshly prepared samples of evaporated Al + 250-A thick MgF2 on glass were analyzed by Auger electron spectroscopy in conjunction with surface erosion by Ar(+) ion bombardment before and after UV irradiation. The analysis showed that a very thin layer of surface contamination and not bulk photolysis in the MgF2 film was reponsible for the irradiation-induced reflectance loss. Postirradiation polishing with a mild calcium carbonate abrasive can restore a mirror's reflectance by removing the photolyzed surface film without disturbing the MgF2 layer.

  12. Bispectral analysis of equatorial spread F density irregularities

    NASA Technical Reports Server (NTRS)

    Labelle, J.; Lund, E. J.

    1992-01-01

    Bispectral analysis has been applied to density irregularities at frequencies 5-30 Hz observed with a sounding rocket launched from Peru in March 1983. Unlike the power spectrum, the bispectrum contains statistical information about the phase relations between the Fourier components which make up the waveform. In the case of spread F data from 475 km the 5-30 Hz portion of the spectrum displays overall enhanced bicoherence relative to that of the background instrumental noise and to that expected due to statistical considerations, implying that the observed f exp -2.5 power law spectrum has a significant non-Gaussian component. This is consistent with previous qualitative analyses. The bicoherence has also been calculated for simulated equatorial spread F density irregularities in approximately the same wavelength regime, and the resulting bispectrum has some features in common with that of the rocket data. The implications of this analysis for equatorial spread F are discussed, and some future investigations are suggested.

  13. The effect of FeF2 on the magneto-optic response in FeF2/Fe/FeF2 sandwiches

    NASA Astrophysics Data System (ADS)

    Pištora, J.; Lesňák, M.; Lišková, E.; Višňovský, Š.; Harward, I.; Maslankiewicz, P.; Balin, K.; Celinski, Z.; Mistrík, J.; Yamaguchi, T.; Lopusnik, R.; Vlček, J.

    2010-04-01

    The room temperature optical constants n and k of MBE grown FeF2 films are reported. Because of poor chemical stability, FeF2 had to be coated with a protective Au layer. Reflection spectral ellipsometry in the photon energy range between 1.3 and 5.2 eV was performed on structures with a typical profile Au(0.5 nm)/FeF2(120 nm)/Au(30 nm)/Ag(20 nm)/Fe(0.6 nm) grown on GaAs(0 0 1) substrate. The spectra of n and k in FeF2 were subsequently employed in the design of FeF2/Fe/FeF2 sandwiches considered as magneto-optic (MO) sensors for weak microwave currents. Their MO response was evaluated using reflection MO (Kerr) spectroscopy at polar magnetization. The present results may be of interest in MO studies of magnetic nanostructures with Fe/FeF2/Fe, including MO magnetometry and MO magnetic domain imaging.

  14. Decreasing the electronic confinement in layered perovskites through intercalation.

    PubMed

    Smith, Matthew D; Pedesseau, Laurent; Kepenekian, Mikaël; Smith, Ian C; Katan, Claudine; Even, Jacky; Karunadasa, Hemamala I

    2017-03-01

    We show that post-synthetic small-molecule intercalation can significantly reduce the electronic confinement of 2D hybrid perovskites. Using a combined experimental and theoretical approach, we explain structural, optical, and electronic effects of intercalating highly polarizable molecules in layered perovskites designed to stabilize the intercalants. Polarizable molecules in the organic layers substantially alter the optical and electronic properties of the inorganic layers. By calculating the spatially resolved dielectric profiles of the organic and inorganic layers within the hybrid structure, we show that the intercalants afford organic layers that are more polarizable than the inorganic layers. This strategy reduces the confinement of excitons generated in the inorganic layers and affords the lowest exciton binding energy for an n = 1 perovskite of which we are aware. We also demonstrate a method for computationally evaluating the exciton's binding energy by solving the Bethe-Salpeter equation for the exciton, which includes an ab initio determination of the material's dielectric profile across organic and inorganic layers. This new semi-empirical method goes beyond the imprecise phenomenological approximation of abrupt dielectric-constant changes at the organic-inorganic interfaces. This work shows that incorporation of polarizable molecules in the organic layers, through intercalation or covalent attachment, is a viable strategy for tuning 2D perovskites towards mimicking the reduced electronic confinement and isotropic light absorption of 3D perovskites while maintaining the greater synthetic tunability of the layered architecture.

  15. Properties of copper (fluoro-)phthalocyanine layers deposited on epitaxial graphene.

    PubMed

    Ren, Jun; Meng, Sheng; Wang, Yi-Lin; Ma, Xu-Cun; Xue, Qi-Kun; Kaxiras, Efthimios

    2011-05-21

    We investigate the atomic structure and electronic properties of monolayers of copper phthalocyanines (CuPc) deposited on epitaxial graphene substrate. We focus in particular on hexadecafluorophthalocyanine (F(16)CuPc), using both theoretical and experimental (scanning tunneling microscopy - STM) studies. For the individual CuPc and F(16)CuPc molecules, we calculated the electronic and optical properties using density functional theory (DFT) and time-dependent DFT and found a red-shift in the absorption peaks of F(16)CuPc relative to those of CuPc. In F(16)CuPc, the electronic wavefunctions are more polarized toward the electronegative fluorine atoms and away from the Cu atom at the center of the molecule. When adsorbed on graphene, the molecules lie flat and form closely packed patterns: F(16)CuPc forms a hexagonal pattern with two well-ordered alternating α and β stripes while CuPc arranges into a square lattice. The competition between molecule-substrate and intermolecular van der Waals interactions plays a crucial role in establishing the molecular patterns leading to tunable electron transfer from graphene to the molecules. This transfer is controlled by the layer thickness of, or the applied voltage on, epitaxial graphene resulting in selective F(16)CuPc adsorption, as observed in STM experiments. In addition, phthalocyanine adsorption modifies the electronic structure of the underlying graphene substrate introducing intensity smoothing in the range of 2-3 eV below the Dirac point (E(D)) and a small peak in the density of states at ∼0.4 eV above E(D). © 2011 American Institute of Physics.

  16. Critical CuI buffer layer surface density for organic molecular crystal orientation change

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ahn, Kwangseok; Kim, Jong Beom; Lee, Dong Ryeol, E-mail: drlee@ssu.ac.kr

    We have determined the critical surface density of the CuI buffer layer inserted to change the preferred orientation of copper phthalocyanine (CuPc) crystals grown on the buffer layer. X-ray reflectivity measurements were performed to obtain the density profiles of the buffer layers and out-of-plane and 2D grazing-incidence X-ray diffraction measurements were performed to determine the preferred orientations of the molecular crystals. Remarkably, it was found that the preferred orientation of the CuPc film is completely changed from edge-on (1 0 0) to face-on (1 1 −2) by a CuI buffer layer with a very low surface density, so low thatmore » a large proportion of the substrate surface is bare.« less

  17. Electronic sputtering of LiF, CaF2, LaF3 and UF4 with 197 MeV Au ions. Is the stoichiometry of atom emission preserved?

    NASA Astrophysics Data System (ADS)

    Toulemonde, M.; Assmann, W.; Muller, D.; Trautmann, C.

    2017-09-01

    Sputtering experiments with swift heavy ions in the electronic energy loss regime were performed by using the catcher technique in combination with elastic recoil detection analysis. Four different fluoride targets, LiF, CaF2, LaF3 and UF4 were irradiated in the electronic energy loss regime using 197 MeV Au ions. The angular distribution of particles sputtered from the surface of freshly cleaved LiF and CaF2 single crystals is composed of a broad cosine distribution superimposed by a jet-like peak that appears perpendicular to the surface independent of the angle of beam incidence. For LiF, the particle emission in the entire angular distribution (jet plus broad cosine component) is stoichiometric, whereas for CaF2 the ratio of the sputtered F to Ca particles is at large angles by a factor of two smaller than the stoichiometry of the crystal. For single crystalline LaF3 no jet component is observed and the angular distribution is non-stoichiometric with the number of sputtered F particles being slightly larger than the number of sputtered La particles. In the case of UF4, the target was polycrystalline and had a much rougher surface compared to cleaved crystals. This destroys the appearance of a possible jet component leading to a broad angular distribution. The ratio of sputtered U atoms compared to F atoms is in the order of 1-2, i.e. the number of collected particles on the catcher is also non-stoichiometric. Such unlike behavior of particles sputtered from different fluoride crystals creates new questions.

  18. Infrared spectra of MF2, MF2+, MF4-, MF3, and M2F6 molecules (M = Sc, Y, La) in solid argon.

    PubMed

    Wang, Xuefeng; Andrews, Lester

    2010-02-18

    Reactions of laser-ablated Sc, Y and La atoms with F(2) in excess argon gave new absorptions in the M-F stretching region, which are assigned to metal fluoride neutral species MF(2) and MF(3) and ions MF(2)(+) and MF(4)(-). Dibridged MF(3) dimers, M(2)F(6), were also identified through terminal M-F and bridge M-F-M stretching modes. Density functional theory (DFT) calculations substantiated the experimental assignments. Mulliken and natural charge distributions indicate significant electron transfer from metal d orbitals to F ligands that increase from Sc to La, suggesting that strong participation of La 5d orbital hybridization drives the F-La-F bond angle below 120 degrees.

  19. Quantification of elemental area densities in multiple metal layers (Au/Ni/Cu) on a Cr-coated quartz glass substrate for certification of NMIJ CRM 5208-a.

    PubMed

    Ariga, Tomoko; Zhu, Yanbei; Ito, Mika; Takatsuka, Toshiko; Terauchi, Shinya; Kurokawa, Akira; Inagaki, Kazumi

    2018-04-01

    Area densities of Au/Ni/Cu layers on a Cr-coated quartz substrate were characterized to certify a multiple-metal-layer certified reference material (NMIJ CRM5208-a) that is intended for use in the analysis of the layer area density and the thickness by an X-ray fluorescence spectrometer. The area densities of Au/Ni/Cu layers were calculated from layer mass amounts and area. The layer mass amounts were determined by using wet chemical analyses, namely inductively coupled plasma mass spectrometry (ICP-MS), isotope-dilution (ID-) ICP-MS, and inductively coupled plasma optical emission spectrometry (ICP-OES) after dissolving the layers with diluted mixture of HCl and HNO 3 (1:1, v/v). Analytical results of the layer mass amounts obtained by the methods agreed well with each another within their uncertainty ranges. The area of the layer was determined by using a high-resolution optical scanner calibrated by Japan Calibration Service System (JCSS) standard scales. The property values of area density were 1.84 ± 0.05 μg/mm 2 for Au, 8.69 ± 0.17 μg/mm 2 for Ni, and 8.80 ± 0.14 μg/mm 2 for Cu (mean ± expanded uncertainty, coverage factor k = 2). In order to assess the reliability of these values, the density of each metal layer calculated from the property values of the area density and layer thickness measured by using a scanning electron microscope were compared with available literature values and good agreement between the observed values and values obtained in previous studies.

  20. Structural phase transition and 5f-electrons localization of PuSe explored by ab initio calculations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Cui Shouxin, E-mail: shouxincui@yahoo.co; Feng Wenxia; Hu Haiquan

    2010-04-15

    An investigation into the structural phase transformation, electronic and optical properties of PuSe under high pressure was conducted by using the full potential linearized augmented plane wave plus local orbitals (FP-LAPW+lo) method, in the presence and in the absence of spin-orbit coupling (SOC). Our results demonstrate that there exists a structural phase transition from rocksalt (B 1) structure to CsCl-type (B 2) structure at the transition pressure of 36.3 GPa (without SOC) and 51.3 GPa (with SOC). The electronic density of states (DOS) for PuSe show that the f-electrons of Pu are more localized and concentrated in a narrow peakmore » near the Fermi level, which is consistent with the experimental studies. The band structure shows that B 1-PuSe is metallic. A pseudogap appears around the Fermi level of the total density of states of B 1 phase PuSe, which may contribute to its stability. The calculated reflectivity R(omega) shows agreement with the available experimental results. Furthermore, the absorption spectrum, refractive index, extinction coefficient, energy-loss spectrum and dielectric function were calculated. The origin of the spectral peaks was interpreted based on the electronic structures. - Abstract: Graphical Abstract Legend (TOC Figure): 5f-electrons are more localized by the analysis of the density of states (SOC). The origin spectra peaks was interpreted based on electronic structures.« less

  1. Comparison of plasmaspheric electron content over sea and land using Jason-2 observations

    NASA Astrophysics Data System (ADS)

    Gulyaeva, Tamara; Cherniak, Iurii; Zakharenkova, Irina

    2016-07-01

    The Global Ionospheric Maps of Total Electron Content, GIM-TEC, may suffer from model assumptions, in particular, over the oceans where relatively few measurements are available due to a scarcity of ground-based GPS receivers network only on seashores and islands which involve more assumptions or interpolations imposed on GIM mapping techniques. The GPS-derived TEC represents the total electron content integrated through the ionosphere, iTEC, and the plasmasphere, pTEC. The sea/land differences in the F2 layer peak electron density, NmF2, and the peak height, hmF2, gathered with topside sounding data exhibit tilted ionosphere along the seashores with denser electron population at greater peak heights over the sea. Derivation of a sea/land proportion of total electron content from the new source of the satellite-based measurements would allow improve the mapping GIM-TEC products and their assimilation by the ionosphere-plasmasphere IRI-Plas model. In this context the data of Jason-2 mission provided through the NOAA CLASS Website (http://www.nsof.class.noaa.gov/saa/products/catSearch) present a unique database of pTEC measured through the plasmasphere over the Jason-2 orbit (1335 km) to GPS orbit (20,200 km) which become possible from GPS receivers placed onboard of Jason-2 with a zenith looking antenna that can be used not only for precise orbit determination (POD), but can also provide new data on the plasma density distribution in the plasmasphere. Special interest represents possibility of the potential increase of the data volume in two times due to the successful launch of the Jason-3 mission on 17 January 2016. The present study is focused on a comparison of plasmasphere electron content, pTEC, over the sea and land with a unique data base of the plasmasphere electron content, pTEC, using measurements onboard Jason-2 satellite during the solar minimum (2009) and solar maximum (2014). Slant TEC values were scaled to estimate vertical pTEC using a geometric

  2. Use of micro-photoluminescence as a contactless measure of the 2D electron density in a GaAs quantum well

    NASA Astrophysics Data System (ADS)

    Kamburov, D.; Baldwin, K. W.; West, K. W.; Lyon, S.; Pfeiffer, L. N.; Pinczuk, A.

    2017-06-01

    We compare micro-photoluminescence (μPL) as a measure of the electron density in a clean, two-dimensional (2D) system confined in a GaAs quantum well (QW) to the standard magneto-transport technique. Our study explores the PL shape evolution across a number of molecular beam epitaxy-grown samples with different QW widths and 2D electron densities and notes its correspondence with the density obtained in magneto-transport measurements on these samples. We also measure the 2D density in a top-gated quantum well sample using both PL and transport and find that the two techniques agree to within a few percent over a wide range of gate voltages. We find that the PL measurements are sensitive to gate-induced 2D density changes on the order of 109 electrons/cm2. The spatial resolution of the PL density measurement in our experiments is 40 μm, which is already substantially better than the millimeter-scale resolution now possible in spatial density mapping using magneto-transport. Our results establish that μPL can be used as a reliable high spatial resolution technique for future contactless measurements of density variations in a 2D electron system.

  3. A Theory of Density Layering in Stratified Turbulence using Statistical State Dynamics

    NASA Astrophysics Data System (ADS)

    Fitzgerald, J.; Farrell, B.

    2016-12-01

    Stably stratified turbulent fluids commonly develop density structures that are layered in the vertical direction (e.g., Manucharyan et al., 2015). Within layers, density is approximately constant and stratification is weak. Between layers, density varies rapidly and stratification is strong. A common explanation for the existence of layers invokes the negative diffusion mechanism of Phillips (1972) & Posmentier (1977). The physical principle underlying this mechanism is that the flux-gradient relationship connecting the turbulent fluxes of buoyancy to the background stratification must have the special property of weakening fluxes with strengthening gradient. Under these conditions, the evolution of the stratification is governed by a negative diffusion problem which gives rise to spontaneous layer formation. In previous work on stratified layering, this flux-gradient property is often assumed (e.g, Posmentier, 1977) or drawn from phenomenological models of turbulence (e.g., Balmforth et al., 1998).In this work we develop the theoretical underpinnings of layer formation by applying stochastic turbulence modeling and statistical state dynamics (SSD) to predict the flux-gradient relation and analyze layer formation directly from the equations of motion. We show that for stochastically-forced homogeneous 2D Boussinesq turbulence, the flux-gradient relation can be obtained analytically and indicates that the fluxes always strengthen with stratification. The Phillips mechanism thus does not operate in this maximally simplified scenario. However, when the problem is augmented to include a large scale background shear, we show that the flux-gradient relationship is modified so that the fluxes weaken with stratification. Sheared and stratified 2D Boussinesq turbulence thus spontaneously forms density layers through the Phillips mechanism. Using SSD (Farrell & Ioannou 2003), we obtain a closed, deterministic dynamics for the stratification and the statistical turbulent

  4. Magnetic conjugate observation of the F3 layer using the SEALION ionosonde network

    NASA Astrophysics Data System (ADS)

    Uemoto, Jyunpei; Ono, Takayuki; Maruyama, Takashi; Saito, Susumu; Iizima, Masahide; Kumamoto, Atsushi

    2007-01-01

    Results from the meridional ionosonde network located in Southeast Asia (SEALION) demonstrate the interesting nature of the F 3 layer, showing its generation mechanism. Ionograms obtained on 16 November 2004 and 31 March 2005 at Chiang Mai (CMU; geographic latitude 18.8°N, geographic longitude 98.9°E, and magnetic latitude 13.2°N), Chumphon (CPN; 10.7°N, 99.4°E, and 3.2°N) and Kototabang (KTB; 0.2°S, 100.3°E, and 10.1°S) showed significant differences between CPN near the magnetic equator, and CMU and KTB in the magnetic low-latitude region. The simultaneous magnetic conjugate observations of the F 3 layer achieved using the SEALION ionosonde network data showed clear dependences of the F 3 layer on the magnetic latitude. It is suggested that these magnetic latitude dependences of the F 3 layer can be explained by considering the plasma diffusion effects along the magnetic field lines in the magnetic low-latitude region.

  5. Enhanced Capacitance of Hybrid Layered Graphene/Nickel Nanocomposite for Supercapacitors

    PubMed Central

    Mohd Zaid, Norsaadatul Akmal; Idris, Nurul Hayati

    2016-01-01

    In this work, Ni nanoparticles were directly decorated on graphene (G) nanosheets via mechanical ball milling. Based on transmission electron microscopy observations, the Ni nanoparticles were well dispersed and attached to the G nanosheet without any agglomerations. Electrochemical results showed that the capacitance of a G/Ni nanocomposite was 275 F g−1 at a current density of 2 A g−1, which is higher than the capacitance of bare G (145 F g−1) and bare Ni (3 F g−1). The G/Ni electrode also showed superior performance at a high current density, exhibiting a capacitance of 190 F g−1 at a current density of 5 A g−1 and a capacitance of 144 F g−1 at a current density of 10 A g−1. The equivalent series resistance for G/Ni nanocomposites also decreased. The enhanced performance of this hybrid supercapacitor is best described by the synergistic effect, i.e. dual charge-storage mechanism, which is demonstrated by electrical double layer and pseudocapacitance materials. Moreover, a high specific surface area and electrical conductivity of the materials enhanced the capacitance. These results indicate that the G/Ni nanocomposite is a potential supercapacitor. PMID:27553290

  6. Enhanced Capacitance of Hybrid Layered Graphene/Nickel Nanocomposite for Supercapacitors

    NASA Astrophysics Data System (ADS)

    Mohd Zaid, Norsaadatul Akmal; Idris, Nurul Hayati

    2016-08-01

    In this work, Ni nanoparticles were directly decorated on graphene (G) nanosheets via mechanical ball milling. Based on transmission electron microscopy observations, the Ni nanoparticles were well dispersed and attached to the G nanosheet without any agglomerations. Electrochemical results showed that the capacitance of a G/Ni nanocomposite was 275 F g-1 at a current density of 2 A g-1, which is higher than the capacitance of bare G (145 F g-1) and bare Ni (3 F g-1). The G/Ni electrode also showed superior performance at a high current density, exhibiting a capacitance of 190 F g-1 at a current density of 5 A g-1 and a capacitance of 144 F g-1 at a current density of 10 A g-1. The equivalent series resistance for G/Ni nanocomposites also decreased. The enhanced performance of this hybrid supercapacitor is best described by the synergistic effect, i.e. dual charge-storage mechanism, which is demonstrated by electrical double layer and pseudocapacitance materials. Moreover, a high specific surface area and electrical conductivity of the materials enhanced the capacitance. These results indicate that the G/Ni nanocomposite is a potential supercapacitor.

  7. Enhanced Capacitance of Hybrid Layered Graphene/Nickel Nanocomposite for Supercapacitors.

    PubMed

    Mohd Zaid, Norsaadatul Akmal; Idris, Nurul Hayati

    2016-08-24

    In this work, Ni nanoparticles were directly decorated on graphene (G) nanosheets via mechanical ball milling. Based on transmission electron microscopy observations, the Ni nanoparticles were well dispersed and attached to the G nanosheet without any agglomerations. Electrochemical results showed that the capacitance of a G/Ni nanocomposite was 275 F g(-1) at a current density of 2 A g(-1), which is higher than the capacitance of bare G (145 F g(-1)) and bare Ni (3 F g(-1)). The G/Ni electrode also showed superior performance at a high current density, exhibiting a capacitance of 190 F g(-1) at a current density of 5 A g(-1) and a capacitance of 144 F g(-1) at a current density of 10 A g(-1). The equivalent series resistance for G/Ni nanocomposites also decreased. The enhanced performance of this hybrid supercapacitor is best described by the synergistic effect, i.e. dual charge-storage mechanism, which is demonstrated by electrical double layer and pseudocapacitance materials. Moreover, a high specific surface area and electrical conductivity of the materials enhanced the capacitance. These results indicate that the G/Ni nanocomposite is a potential supercapacitor.

  8. Ionospheric Peak Electron Density and Performance Evaluation of IRI-CCIR Near Magnetic Equator in Africa During Two Extreme Solar Activities

    NASA Astrophysics Data System (ADS)

    Adebesin, B. O.; Rabiu, A. B.; Obrou, O. K.; Adeniyi, J. O.

    2018-03-01

    The F2 layer peak electron density (NmF2) was investigated over Korhogo (Geomagnetic: 1.26°S, 67.38°E), a station near the magnetic equator in the African sector. Data for 1996 and 2000 were, respectively, categorized into low solar quiet and disturbed and high solar quiet and disturbed. NmF2 prenoon peak was higher than the postnoon peak during high solar activity irrespective of magnetic activity condition, while the postnoon peak was higher for low solar activity. Higher NmF2 peak amplitude characterizes disturbed magnetic activity than quiet magnetic condition for any solar activity. The maximum peaks appeared in equinox. June solstice noontime bite out lagged other seasons by 1-2 h. For any condition of solar and magnetic activities, the daytime NmF2 percentage variability (%VR) measured by the relative standard deviation maximizes/minimizes in June solstice/equinox. Daytime variability increases with increasing magnetic activity. The highest peak in the morning time NmF2 variability occurs in equinox, while the highest evening/nighttime variability appeared in June solstice for all solar/magnetic conditions. The nighttime annual variability amplitude is higher during disturbed than quiet condition regardless of solar activity period. At daytime, variability is similar for all conditions of solar activities. NmF2 at Korhogo is well represented on the International Reference Ionosphere-International Radio Consultative Committee (IRI-CCIR) option. The model/observation relationship performed best between local midnight and postmidnight period (00-08 LT). The noontime trough characteristics is not prominent in the IRI pattern during high solar activity but evident during low solar conditions when compared with Korhogo observations. The Nash-Sutcliffe coefficients revealed better model performance during disturbed activities.

  9. Layer-dependent quantum cooperation of electron and hole states in the anomalous semimetal WTe 2

    DOE PAGES

    Das, Pranab Kumar; Di Sante, D.; Vobornik, I.; ...

    2016-02-29

    The behaviour of electrons and holes in a crystal lattice is a fundamental quantum phenomenon, accounting for a rich variety of material properties. Boosted by the remarkable electronic and physical properties of two-dimensional materials such as graphene and topological insulators, transition metal dichalcogenides have recently received renewed attention. In this context, the anomalous bulk properties of semimetallic WTe 2 have attracted considerable interest. We report angle- and spin-resolved photoemission spectroscopy of WTe 2 single crystals, through which we disentangle the role of W and Te atoms in the formation of the band structure and identify the interplay of charge, spinmore » and orbital degrees of freedom. Supported by first-principles calculations and high-resolution surface topography, we also reveal the existence of a layer-dependent behaviour. The balance of electron and hole states is found only when considering at least three Te–W–Te layers, showing that the behaviour of WTe 2 is not strictly two dimensional.« less

  10. Electronic structure and nature of the color centers in MgF2

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Freidman, S.P.; Golota, A.F.; Galakhov, V.R.

    1986-09-01

    The electronic structure and spectroscopic properties of samples of magnesium fluoride with different numbers of defects have been investigated with the use of the methods of x-ray photoelectron, x-ray emission, ESR, and optical spectroscopy. Nonempirical self-consistent calculations of the electronic structure of clusters which simulate stoichiometric and defective MgF2 have been carried out. The color centers in the approx. 5-eV energy range are attributed to the presence of vacancies in the anionic sublattice.

  11. Ab initio density functional theory study on the atomic and electronic structure of GaP/Si(001) heterointerfaces

    NASA Astrophysics Data System (ADS)

    Romanyuk, O.; Supplie, O.; Susi, T.; May, M. M.; Hannappel, T.

    2016-10-01

    The atomic and electronic band structures of GaP/Si(001) heterointerfaces were investigated by ab initio density functional theory calculations. Relative total energies of abrupt interfaces and mixed interfaces with Si substitutional sites within a few GaP layers were derived. It was found that Si diffusion into GaP layers above the first interface layer is energetically unfavorable. An interface with Si/Ga substitution sites in the first layer above the Si substrate is energetically the most stable one in thermodynamic equilibrium. The electronic band structure of the epitaxial GaP/Si(001) heterostructure terminated by the (2 ×2 ) surface reconstruction consists of surface and interface electronic states in the common band gap of two semiconductors. The dispersion of the states is anisotropic and differs for the abrupt Si-Ga, Si-P, and mixed interfaces. Ga 2 p , P 2 p , and Si 2 p core-level binding-energy shifts were computed for the abrupt and the lowest-energy heterointerface structures. Negative and positive core-level shifts due to heterovalent bonds at the interface are predicted for the abrupt Si-Ga and Si-P interfaces, respectively. The distinct features in the heterointerface electronic structure and in the core-level shifts open new perspectives in the experimental characterization of buried polar-on-nonpolar semiconductor heterointerfaces.

  12. Rocket in situ observation of equatorial plasma irregularities in the region between E and F layers over Brazil

    NASA Astrophysics Data System (ADS)

    Savio Odriozola, Siomel; de Meneses, Francisco Carlos, Jr.; Muralikrishna, Polinaya; Alvares Pimenta, Alexandre; Alam Kherani, Esfhan

    2017-03-01

    A two-stage VS-30 Orion rocket was launched from the equatorial rocket launching station in Alcântara, Brazil, on 8 December 2012 soon after sunset (19:00 LT), carrying a Langmuir probe operating alternately in swept and constant bias modes. At the time of launch, ground equipment operated at equatorial stations showed rapid rise in the base of the F layer, indicating the pre-reversal enhancement of the F region vertical drift and creating ionospheric conditions favorable for the generation of plasma bubbles. Vertical profiles of electron density estimated from Langmuir probe data showed wave patterns and small- and medium-scale plasma irregularities in the valley region (100-300 km) during the rocket upleg and downleg. These irregularities resemble those detected by the very high frequency (VHF) radar installed at Jicamarca and so-called equatorial quasi-periodic echoes. We present evidence suggesting that these observations could be the first detection of this type of irregularity made by instruments onboard a rocket.

  13. Assigning the Cerium Oxidation State for CH2CeF2 and OCeF2 Based on Multireference Wave Function Analysis.

    PubMed

    Mooßen, Oliver; Dolg, Michael

    2016-06-09

    The geometric and electronic structure of the recently experimentally studied molecules ZCeF2 (Z = CH2, O) was investigated by density functional theory (DFT) and wave function-based ab initio methods. Special attention was paid to the Ce-Z metal-ligand bonding, especially to the nature of the interaction between the Ce 4f and the Z 2p orbitals and the possible multiconfigurational character arising from it, as well as to the assignment of an oxidation state of Ce reflecting the electronic structure. Complete active space self-consistent field (CASSCF) calculations were performed, followed by orbital rotations in the active orbital space. The methylene compound CH2CeF2 has an open-shell singlet ground state, which is characterized by a two-configurational wave function in the basis of the strongly mixed natural CASSCF orbitals. The system can also be described in a very compact way by the dominant Ce 4f(1) C 2p(1) configuration, if nearly pure Ce 4f and C 2p orbitals are used. In the basis of these localized orbitals, the molecule is almost monoconfigurational and should be best described as a Ce(III) system. The singlet ground state of the oxygen OCeF2 complex is of closed-shell character when a monoconfigurational wave function with very strongly mixed Ce 4f and O 2p CASSCF natural orbitals is used for the description. The transformation to orbitals localized on the cerium and oxygen atoms leads to a multiconfigurational wave function and reveals characteristics of a mixed valent Ce(IV)/Ce(III) compound. Additionally, the interactions of the localized active orbitals were analyzed by evaluating the expectation values of the charge fluctuation operator and the local spin operator. The Ce 4f and C 2p orbital interaction of the CH2CeF2 compound is weakly covalent and resembles the interaction of the H 1s orbitals in a stretched hydrogen dimer. In contrast, the interaction of the localized active orbitals for OCeF2 shows ionic character. Calculated vibrational Ce

  14. The Density and Refractive Index of Adsorbing Protein Layers

    PubMed Central

    Vörös, Janos

    2004-01-01

    The structure of the adsorbing layers of native and denatured proteins (fibrinogen, γ-immunoglobulin, albumin, and lysozyme) was studied on hydrophilic TiO2 and hydrophobic Teflon-AF surfaces using the quartz crystal microbalance with dissipation and optical waveguide lightmode spectroscopy techniques. The density and the refractive index of the adsorbing protein layers could be determined from the complementary information provided by the two in situ instruments. The observed density and refractive index changes during the protein-adsorption process indicated the presence of conformational changes (e.g., partial unfolding) in general, especially upon contact with the hydrophobic surface. The structure of the formed layers was found to depend on the size of the proteins and on the experimental conditions. On the TiO2 surface smaller proteins formed a denser layer than larger ones and the layer of unfolded proteins was less dense than that adsorbed from the native conformation. The hydrophobic surface induced denaturation and resulted in the formation of thin compact protein films of albumin and lysozyme. A linear correlation was found between the quartz crystal microbalance measured dissipation factor and the total water content of the layer, suggesting the existence of a dissipative process that is related to the solvent molecules present inside the adsorbed protein layer. Our measurements indicated that water and solvent molecules not only influence the 3D structure of proteins in solution but also play a crucial role in their adsorption onto surfaces. PMID:15240488

  15. Manganese Vanadate Chemistry in Hydrothermal BaF 2 Brines: Ba 3 Mn 2 (V 2 O 7 ) 2 F 2 and Ba 7 Mn 8 O 2 (VO 4 ) 2 F 23

    DOE PAGES

    Sanjeewa, Liurukara D.; McMillen, Colin D.; McGuire, Michael A.; ...

    2016-12-05

    We synthesized manganese vanadate fluorides using high-temperature hydrothermal techniques with BaF 2 as a mineralizer. Ba 3Mn 2(V 2O 7) 2F 2 crystallizes in space group C2/c and consists of dimers built from edge-sharing MnO 4F 2 trigonal prisms with linking V 2O 7 groups. Ba 7Mn 8O 2(VO 4) 2F 23 crystallizes in space group Cmmm, with a manganese oxyfluoride network built from edge- and corner-sharing Mn 2+/3+(O,F) 6 octahedra. The resulting octahedra form alternating Mn 2+ and Mn 2+/3+ layers separated by VO 4 tetrahedra. This latter compound exhibits a canted antiferromagnetic order below TN = 25 K.

  16. Transport anomalies of high-mobility Q-valley electrons in few-layer WS2 and MoS2

    NASA Astrophysics Data System (ADS)

    Wang, Ning

    Atomically thin transition metal dichalcogenides (TMDCs) have opened new avenues for exploring physical property anomalies due to their large band gaps, strong spin-orbit couplings, and rich valley degrees of freedom. Although novel optical phenomena such as valley selective circular dichroism, opto-valley Hall effect, and valley Zeeman effect have been extensively studied in TMDCs, investigation of quantum transport properties has encountered a number of obstacles primarily due to the low carrier mobility and strong impurity scattering. Recently, we successfully fabricated ultrahigh-mobility few-layer TMDC field-effect transistors based on the boron nitride encapsulation method and observed a number of interesting transport properties, such as even-odd layer-dependent magnetotransport of Q-valley electrons in WS2 and MoS2 and unconventional quantum Hall transport of Γ-valley hole carriers in WSe2. In few-layer samples of these TMDCs, the conduction bands along the ΓK directions shift downward energetically in the presence of interlayer interactions, forming six Q-valleys related by three-fold rotational symmetry and time reversal symmetry. In even-layers the extra inversion symmetry requires all states to be Kramers degenerate, whereas in odd-layers the intrinsic inversion asymmetry dictates the Q-valleys to be spin-valley coupled. In this talk, I'll demonstrate the prominent Shubnikov-de Hass (SdH) oscillations and the observation of the onset of quantum Hall plateaus for the Q-valley electrons. Universally in the SdH oscillations, we observe a valley Zeeman effect in all odd-layer TMDC devices and a spin Zeeman effect in all even-layer TMDC devices. In addition, we observe a series of quantum Hall states following an unconventional sequence predominated by odd-integer states under a moderate strength magnetic field in p-type few-layer TMDCs, indicating a large Zeeman energy associated with the carriers in the valence band at the Γ-valley. Financial supports

  17. Interaction between the lower hybrid wave and density fluctuations in the scrape-off layer

    NASA Astrophysics Data System (ADS)

    Peysson, Y.; Madi, M.; Decker, J.; Kabalan, K.

    2015-12-01

    In the present paper, the perturbation of the launched power spectrum of the Lower Hybrid wave at the separatrix by electron density fluctuations in the scrape-off layer is investigated. Considering a slab geometry with magnetic field lines parallel to the toroidal direction, the full wave equation is solved using Comsol Multiphysics® for a fully active multi-junction like LH antenna made of two modules. When electron density fluctuations are incorporated in the dielectric tensor over a thin perturbed layer in front of the grill, it is shown that the power spectrum may be strongly modified from the antenna mouth to the plasma separatrix as the wave propagates. The diffraction effect leads to the appearance of multiple satellite lobes with randomly varying positions, a feature consistent with the recently developed model that has been applied successfully to high density discharges on the Tokamak Tore Supra corresponding to the large spectral gap regime [Decker J. et al. Phys. Plasma 21 (2014) 092504]. The perturbation is found to be maximum for the Fourier components of the fluctuating spectrum in the vicinity of the launched LH wavelength.

  18. Hidden Order and Dimensional Crossover of the Charge Density Waves in TiSe 2

    DOE PAGES

    Chen, P.; Chan, Y. -H.; Fang, X. -Y.; ...

    2016-11-29

    Charge density wave (CDW) formation, a key physics issue for materials, arises from interactions among electrons and phonons that can also lead to superconductivity and other competing or entangled phases. The prototypical system TiSe 2, with a particularly simple (2 × 2 × 2) transition and no Kohn anomalies caused by electron-phonon coupling, is a fascinating but unsolved case after decades of research. Our angle-resolved photoemission measurements of the band structure as a function of temperature, aided by first-principles calculations, reveal a hitherto undetected but crucial feature: a (2 × 2) electronic order in each layer sets in at ~232more » K before the widely recognized three-dimensional structural order at ~205 K. The dimensional crossover, likely a generic feature of such layered materials, involves renormalization of different band gaps in two stages.« less

  19. Reconsideration of F-layer seismic model in the south polar region

    NASA Astrophysics Data System (ADS)

    Ohtaki, T.; Kaneshima, S.

    2017-12-01

    Previously, we analyzed the seismic structure near the inner core boundary beneath Antarctica (Ohtaki et al., 2012). In the study, we determined the velocity of the lowermost outer core (F-layer) using amplitude ratio observations between the inner-core phase (PKIKP) and the inner-core grazing/diffracted phase (PKPbc/c-diff). Because the observations are not so sensitive to the F-layer structure, a constant velocity is assumed in the layer to simplify the model. The obtained model (SPR) has a flat velocity zone with a 75 km thick on the inner core boundary. With this F-layer structure and using travel times of these phases as well as the phase that reflects at the boundary, we determined the seismic structure of the inner core in the south polar region. However, a constant velocity layer is unrealistic, although it is reasonable assumption.Recently, we determined F-layer velocity structures more accurately using the combined observations of PKiKP-PKPbc differential travel times and of PKPbc/c-diff dispersion (Ohtaki et al., 2015, 2016). The former observation is sensitive to average velocity in the F-layer; the latter to velocity gradient in the layer. By analyzing these two observations together, we can determine the detailed velocity structure in the F-layer. The surveyed areas are beneath the Northeast Pacific and Australia. The seismic velocity models obtained are quite different between the two regions. Thus our results require laterally heterogeneous F-layer, and show that F-layer is more complicated than we ever imagined.Then there is one question; which structure is that of the south polar region close to? Unfortunately, the seismic waveforms that we analyzed in the previous study may not have quality high enough to analyze the PKiKP-PKPbc or PKPbc dispersion. However, it would be meaningful to reanalyze the amplitude data and reconsider the F-layer velocity there. And we also estimate how large slope of velocity can be acceptable for the F-layer velocity

  20. Electronic resonant tunneling on graphene superlattice heterostructures with a tunable graphene layer

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhang, Shan; Cui, Liyong; Liu, Fen

    We have theoretically investigated the electronic resonant tunneling effect in graphene superlattice heterostructures, where a tunable graphene layer is inserted between two different superlattices. It is found that a complete tunneling state appears inside the enlarged forbidden gap of the heterostructure by changing the thickness of the inserted graphene layer and the transmittance of the tunneling state depends on the thickness of the inserted layer. Furthermore, the frequency of the tunneling state changes with the thickness of the inserted graphene layer but it always located in the little overlapped forbidden gap of two graphene superlattices. Therefore, both a perfect tunnelingmore » state and an ultrawide forbidden gap are realized in such heterostrutures. Since maximum probability densities of the perfect tunneling state are highly localized near the interface between the inserted graphene layer and one graphene superlattice, it can be named as an interface-like state. Such structures are important to fabricate high-Q narrowband electron wave filters.« less

  1. Anomalous evolution of Ar metastable density with electron density in high density Ar discharge

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Park, Min; Chang, Hong-Young; You, Shin-Jae

    2011-10-15

    Recently, an anomalous evolution of argon metastable density with plasma discharge power (electron density) was reported [A. M. Daltrini, S. A. Moshkalev, T. J. Morgan, R. B. Piejak, and W. G. Graham, Appl. Phys. Lett. 92, 061504 (2008)]. Although the importance of the metastable atom and its density has been reported in a lot of literature, however, a basic physics behind the anomalous evolution of metastable density has not been clearly understood yet. In this study, we investigated a simple global model to elucidate the underlying physics of the anomalous evolution of argon metastable density with the electron density. Onmore » the basis of the proposed simple model, we reproduced the anomalous evolution of the metastable density and disclosed the detailed physics for the anomalous result. Drastic changes of dominant mechanisms for the population and depopulation processes of Ar metastable atoms with electron density, which take place even in relatively low electron density regime, is the clue to understand the result.« less

  2. Formation of a knudsen layer in electronically induced desorption

    NASA Astrophysics Data System (ADS)

    Sibold, D.; Urbassek, H. M.

    1992-10-01

    For intense desorption fluxes, particles desorbed by electronic transitions (DIET) from a surface into a vacuum may thermalize in the gas cloud forming above the surface. In immediate vicinity to the surface, however, a non-equilibrium layer (the Knudsen layer) exists which separates the recently desorbed, non-thermal particles from the thermalized gas cloud. We investigate by Monte Carlo computer simulation the time it takes to form a Knudsen layer, and its properties. It is found that a Knudsen layer, and thus also a thermalized gas cloud, is formed after around 200 mean free flight times of the desorbing particles, corresponding to a desorption of 20 monolayers. At the end of the Knudsen layer, the gas density will be higher, and the flow velocity and temperature smaller, than literature values indicate for thermal desorption. These data are of fundamental interest for the modeling of gas-kinetic and gas-dynamic effects in DIET.

  3. Well-Defined Nanostructured, Single-Crystalline TiO2 Electron Transport Layer for Efficient Planar Perovskite Solar Cells.

    PubMed

    Choi, Jongmin; Song, Seulki; Hörantner, Maximilian T; Snaith, Henry J; Park, Taiho

    2016-06-28

    An electron transporting layer (ETL) plays an important role in extracting electrons from a perovskite layer and blocking recombination between electrons in the fluorine-doped tin oxide (FTO) and holes in the perovskite layers, especially in planar perovskite solar cells. Dense TiO2 ETLs prepared by a solution-processed spin-coating method (S-TiO2) are mainly used in devices due to their ease of fabrication. Herein, we found that fatal morphological defects at the S-TiO2 interface due to a rough FTO surface, including an irregular film thickness, discontinuous areas, and poor physical contact between the S-TiO2 and the FTO layers, were inevitable and lowered the charge transport properties through the planar perovskite solar cells. The effects of the morphological defects were mitigated in this work using a TiO2 ETL produced from sputtering and anodization. This method produced a well-defined nanostructured TiO2 ETL with an excellent transmittance, single-crystalline properties, a uniform film thickness, a large effective area, and defect-free physical contact with a rough substrate that provided outstanding electron extraction and hole blocking in a planar perovskite solar cell. In planar perovskite devices, anodized TiO2 ETL (A-TiO2) increased the power conversion efficiency by 22% (from 12.5 to 15.2%), and the stabilized maximum power output efficiency increased by 44% (from 8.9 to 12.8%) compared with S-TiO2. This work highlights the importance of the ETL geometry for maximizing device performance and provides insights into achieving ideal ETL morphologies that remedy the drawbacks observed in conventional spin-coated ETLs.

  4. TEM and STEM Studies on the Cross-sectional Morphologies of Dual-/Tri-layer Broadband SiO2 Antireflective Films

    NASA Astrophysics Data System (ADS)

    Wang, Shuangyue; Yan, Hongwei; Li, Dengji; Qiao, Liang; Han, Shaobo; Yuan, Xiaodong; Liu, Wei; Xiang, Xia; Zu, Xiaotao

    2018-02-01

    Dual-layer and tri-layer broadband antireflective (AR) films with excellent transmittance were successfully fabricated using base-/acid-catalyzed mixed sols and propylene oxide (PO) modified silica sols. The sols and films were characterized by scanning electron microscope (SEM), Fourier transform infrared spectroscopy (FTIR), nuclear magnetic resonance (NMR), transmission electron microscope (TEM), and scanning transmission electron microscope (STEM). FTIR and TEM results suggest that the PO molecules were covalently bonded to the silica particles and the bridge structure existing in PO modified silica sol is responsible for the low density of the top layer. The density ratio between different layers was measured by cross-sectional STEM, and the results are 1.69:1 and 2.1:1.7:1 from bottom-layer to top-layer for dual-layer and tri-layer films, respectively. The dual-layer film demonstrates good stability with 99.8% at the central wavelength of 351 nm and nearly 99.5% at the central wavelength of 1053 nm in laser system, and for the tri-layer AR film, the maximum transmittance reached nearly 100% at both the central wavelengths of 527 and 1053 nm.

  5. Structural and electronic properties of Li-ion battery cathode material MoF{sub 3} from first-principles

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Li, A.Y.; Wu, S.Q.; Yang, Y.

    2015-07-15

    The transition metal fluorides have been extensively investigated recently as the electrode materials with high working voltage and large capacity. The structural, electronic and magnetic properties of MoF{sub 3} are studied by the first-principles calculations within both the generalized gradient approximation (GGA) and GGA+U frameworks. Our results show that the antiferromagnetic configuration of MoF{sub 3} is more stable than the ferromagnetic one, which is consistent with experimental results. The analysis of the electronic density of states shows that MoF{sub 3} is a Mott–Hubbard insulator with a d–d type band gap, which is similar to the case of FeF{sub 3}. Moreover,more » small spin polarizations were found on the sites of fluorine ions, which accords with a fluorine-mediated superexchange mechanism for the Mo–Mo magnetic interaction. - Graphical abstract: Deformation charge density and spin-density for MoF{sub 3} in the AF configuration. - Highlights: • The ground state of MoF{sub 3} is shown to be antiferromagnetic, in consistent with experiments. • The electronic states show that MoF{sub 3} is a Mott–Hubbard insulator with a d–d type band gap. • A fluorine-mediated super-exchange mechanism for the Mo–Mo magnetic interaction is shown.« less

  6. Observation of the electron density fluctuations by using the O-mode Microwave Imaging Reflectometry in LHD

    NASA Astrophysics Data System (ADS)

    Nagayama, Yoshio; Yamaguchi, Soichiro; Tsuchiya, Hayato; Kuwahara, Daisuke; LHD Experimental Team

    2016-10-01

    Visualization of local electron density fluctuations will be very useful to study the physics of confinement and instabilities in fusion plasma. In the Large Helical Device (LHD), the O-mode microwave imaging reflectometry (O-MIR) has been intensively developed in order to visualize the electron density fluctuations. The frequency is 26 - 34 GHz. This corresponds to the electron density of 0.8 - 1.5 × 1019 m-3. The plasma is illuminated by the Gaussian beam with four frequencies. The imaging optics make a plasma image onto the newly developed 2D (8 × 8) Horn-antenna Millimeter-wave Imaging Device (HMID). In HMID, the signal wave that is accumulated by the horn antenna is transduced to the micro-strip line by using the finline transducer. The signal wave is mixed by the double balanced mixer with the local wave that is delivered by cables. By using O-MIR, electron density fluctuations are measured at the H-mode edge and the ITB layer in LHD. This work is supported by NIFS/NINS under the project of Formation of International Scientific Base and Network, by the NIFS LHD project, by KAKENHI, and by IMS.

  7. Defect-mediated transport and electronic irradiation effect in individual domains of CVD-grown monolayer MoS 2

    DOE PAGES

    Durand, Corentin; Zhang, Xiaoguang; Fowlkes, Jason; ...

    2015-01-16

    We study the electrical transport properties of atomically thin individual crystalline grains of MoS 2 with four-probe scanning tunneling microscopy. The monolayer MoS 2 domains are synthesized by chemical vapor deposition on SiO 2/Si substrate. Temperature dependent measurements on conductance and mobility show that transport is dominated by an electron charge trapping and thermal release process with very low carrier density and mobility. The effects of electronic irradiation are examined by exposing the film to electron beam in the scanning electron microscope in an ultrahigh vacuum environment. The irradiation process is found to significantly affect the mobility and the carriermore » density of the material, with the conductance showing a peculiar time-dependent relaxation behavior. It is suggested that the presence of defects in active MoS 2 layer and dielectric layer create charge trapping sites, and a multiple trapping and thermal release process dictates the transport and mobility characteristics. The electron beam irradiation promotes the formation of defects and impact the electrical properties of MoS 2. Finally, our study reveals the important roles of defects and the electron beam irradiation effects in the electronic properties of atomic layers of MoS 2.« less

  8. Electronic structure properties of UO2 as a Mott insulator

    NASA Astrophysics Data System (ADS)

    Sheykhi, Samira; Payami, Mahmoud

    2018-06-01

    In this work using the density functional theory (DFT), we have studied the structural, electronic and magnetic properties of uranium dioxide with antiferromagnetic 1k-, 2k-, and 3k-order structures. Ordinary approximations in DFT, such as the local density approximation (LDA) or generalized gradient approximation (GGA), usually predict incorrect metallic behaviors for this strongly correlated electron system. Using Hubbard term correction for f-electrons, LDA+U method, as well as using the screened Heyd-Scuseria-Ernzerhof (HSE) hybrid functional for the exchange-correlation (XC), we have obtained the correct ground-state behavior as an insulator, with band gaps in good agreement with experiment.

  9. Electron Scattering and Doping Mechanisms in Solid-Phase-Crystallized In2O3:H Prepared by Atomic Layer Deposition.

    PubMed

    Macco, Bart; Knoops, Harm C M; Kessels, Wilhelmus M M

    2015-08-05

    Hydrogen-doped indium oxide (In2O3:H) has recently emerged as an enabling transparent conductive oxide for solar cells, in particular for silicon heterojunction solar cells because its high electron mobility (>100 cm(2)/(V s)) allows for a simultaneously high electrical conductivity and optical transparency. Here, we report on high-quality In2O3:H prepared by a low-temperature atomic layer deposition (ALD) process and present insights into the doping mechanism and the electron scattering processes that limit the carrier mobility in such films. The process consists of ALD of amorphous In2O3:H at 100 °C and subsequent solid-phase crystallization at 150-200 °C to obtain large-grained polycrystalline In2O3:H films. The changes in optoelectronic properties upon crystallization have been monitored both electrically by Hall measurements and optically by analysis of the Drude response. After crystallization, an excellent carrier mobility of 128 ± 4 cm(2)/(V s) can be obtained at a carrier density of 1.8 × 10(20) cm(-3), irrespective of the annealing temperature. Temperature-dependent Hall measurements have revealed that electron scattering is dominated by unavoidable phonon and ionized impurity scattering from singly charged H-donors. Extrinsic defect scattering related to material quality such as grain boundary and neutral impurity scattering was found to be negligible in crystallized films indicating that the carrier mobility is maximized. Furthermore, by comparison of the absolute H-concentration and the carrier density in crystallized films, it is deduced that <4% of the incorporated H is an active dopant in crystallized films. Therefore, it can be concluded that inactive H atoms do not (significantly) contribute to defect scattering, which potentially explains why In2O3:H films are capable of achieving a much higher carrier mobility than conventional In2O3:Sn (ITO).

  10. The ‘cutting away’ of potential secondary electron tracks explains the effects of beam size and detector wall density in small-field photon dosimetry

    NASA Astrophysics Data System (ADS)

    Khee Looe, Hui; Delfs, Björn; Poppinga, Daniela; Jiang, Ping; Harder, Dietrich; Poppe, Björn

    2018-01-01

    The well-known field-size dependent overresponse in small-field photon-beam dosimetry of solid-state detectors equipped with very thin sensitive volumes, such as the PTW microDiamond, cannot be caused by the photon and electron interactions within these sensitive layers because they are only a few micrometers thick. The alternative explanation is that their overresponse is caused by the combination of two effects, the modification of the secondary electron fluence profile (i) by a field size too small to warrant lateral secondary electron equilibrium and (ii) by the density-dependent electron ranges in the structural detector materials placed in front of or backing the sensitive layer. The present study aims at the numerical demonstration and visualization of this combined mechanism. The lateral fluence profiles of the secondary electrons hitting a 1 µm thick scoring layer were Monte-Carlo simulated by modelling their generation and transport in the upstream or downstream adjacent layers of thickness 0.6 mm and densities from 0.0012 to 3 g cm-3, whose atomic composition was constantly kept water-like. The scoring layer/adjacent layer sandwich was placed in an infinite water phantom irradiated by circular 60Co, 6 MV and 15 MV photon beams with diameters from 3 to 40 mm. The interpretation starts from the ideal case of lateral secondary electron equilibrium, where the Fano theorem excludes any density effect. If the field size is then reduced, electron tracks potentially originating from source points outside the field border will then be numerically ‘cut away’. This geometrical effect reduces the secondary electron fluence at the field center, but the magnitude of this reduction also varies with the density-dependent electron ranges in the adjacent layers. This combined mechanism, which strongly depends on the photon spectrum, explains the field size and material density effect on the response of detectors with very thin sensitive layers used in small

  11. Study of electronic characteristics of heterojunction with intrinsic thin-layer devices and defect density profile of nanocrystalline silicon germanium devices

    NASA Astrophysics Data System (ADS)

    Mulder, Watson

    Heterojunction with Intrinsic Thin-layer (HIT) solar cells are an important photovoltaic technology, recently reaching record power conversion efficiencies. HIT cells hold advantages over the conventional crystalline Si solar cells, such as their fabrication at lower temperatures and their shorter fabrication time. It is important to understand the electronic characteristics and transport properties of HIT cells to continue to improve their efficiencies. The fundamental measurements of a HIT solar cell with an innovative n+/p/p+ structure are presented. We also report on a series of these HIT cells fabricated on wafers with different doping concentrations, observing the relationship between doping concentration and characteristics such as open-circuit voltage and diffusion length. Nanocrystalline Silicon-Germanium (nc-SiGe) is a useful material for photovoltaic devices and photodetectors. The material features good absorption extending to the infrared region even in thin layers. Its bandgap can be adjusted between that of Si (˜1.1 eV) and Ge (˜0.7 eV) by varying the alloy composition ratio during deposition. However, there has been very little previous work to measure and understand the defect density spectrum of nc-SiGe. Defects are responsible for controlling the recombination and thus the performance of solar cell devices. Capacitance-Frequency measurements at various temperatures are used in order to estimate the trap density profile within the bandgap of nc-SiGe.

  12. Investigation of Electronic and Opto-Electronic Properties of Two-Dimensional (2D) Layers of Copper Indium Selenide Field Effect Transistors

    NASA Astrophysics Data System (ADS)

    Patil, Prasanna Dnyaneshwar

    Investigations performed in order to understand the electronic and optoelectronic properties of field effect transistors based on few layers of 2D Copper Indium Selenide (CuIn7Se11) are reported. In general, field effect transistors (FETs), electric double layer field effect transistors (EDL-FETs), and photodetectors are crucial part of several electronics based applications such as tele-communication, bio-sensing, and opto-electronic industry. After the discovery of graphene, several 2D semiconductor materials like TMDs (MoS2, WS2, and MoSe2 etc.), group III-VI materials (InSe, GaSe, and SnS2 etc.) are being studied rigorously in order to develop them as components in next generation FETs. Traditionally, thin films of ternary system of Copper Indium Selenide have been extensively studied and used in optoelectronics industry as photoactive component in solar cells. Thus, it is expected that atomically thin 2D layered structure of Copper Indium Selenide can have optical properties that could potentially be more advantageous than its thin film counterpart and could find use for developing next generation nano devices with utility in opto/nano electronics. Field effect transistors were fabricated using few-layers of CuIn7Se11 flakes, which were mechanically exfoliated from bulk crystals grown using chemical vapor transport technique. Our FET transport characterization measurements indicate n-type behavior with electron field effect mobility microFE ≈ 36 cm2 V-1 s-1 at room temperature when Silicon dioxide (SiO2) is used as a back gate. We found that in such back gated field effect transistor an on/off ratio of 104 and a subthreshold swing ≈ 1 V/dec can be obtained. Our investigations further indicate that Electronic performance of these materials can be increased significantly when gated from top using an ionic liquid electrolyte [1-Butyl-3-methylimidazolium hexafluorophosphate (BMIM-PF6)]. We found that electron field effect mobility microFE can be increased from

  13. Improved electrochemical performance of spinel LiMn 1.5Ni 0.5O 4 through MgF 2 nano-coating

    DOE PAGES

    Wu, Qing; Zhang, Xiaoping; Sun, Shuwei; ...

    2015-07-08

    In this paper, a spinel LiMn 1.5Ni 0.5O 4 (LMNO) cathode material synthesized by a sol–gel method is modified by MgF 2 nano-coating via a wet coating strategy. The results of X-ray diffraction (XRD), Raman spectroscopy, field emission scanning electron microscopy (FESEM) and high resolution transmission electron microscopy (HRTEM) showed that the MgF 2 nano-coating layers do not physically change the bulk structure of the pristine material. Compared with the pristine compound, the MgF 2-coated LMNO electrodes display enhanced cycling stabilities. Particularly, the 5 wt% MgF 2-coated LMNO demonstrates the best reversibility, with a capacity retention of 89.9% after 100more » cycles, much higher than that of the pristine material, 69.3%. The dQ/dV analysis and apparent Li + diffusion coefficient calculation prove that the kinetic properties are enhanced after MgF 2 surface modification, which partly explains the improved electrochemical performances. Electrochemical impedance spectroscopy (EIS) and Fourier transform infrared spectroscopy (FTIR) data confirm that the MgF 2 coating layer helps in suppressing the fast growth of the solid electrolyte interface (SEI) film in repeated cycling, which effectively stabilizes the spinel structure. Finally and additionally, differential scanning calorimetry (DSC) tests show that the MgF 2 nano-coating layer also helps in enhancing the thermal stability of the LMNO cathode.« less

  14. Correlation between electronic structure and electron conductivity in MoX2 (X = S, Se, and Te)

    NASA Astrophysics Data System (ADS)

    Muzakir, Saifful Kamaluddin

    2017-12-01

    Layered structure molybdenum dichalcogenides, MoX2 (X = S, Se, and Te) are in focus as reversible charge storage electrode for pseudocapacitor applications. Correlation between number of layer and bandgap of the materials has been established by previous researchers. The correlation would reveal a connection between the bandgap and charge storage properties i.e., amount of charges that could be stored, and speed of storage or dissociation. In this work, fundamental parameters viz., (i) size-offset between a monolayer and exciton Bohr radius of MoX2 and (ii) ground and excited state electron density have been studied. We have identified realistic monolayer models of MoX2 using quantum chemical calculations which explain a correlation between size-offset and charge storage properties. We conclude that as the size-offset decreases, the higher possibility of wave functions overlap between the excited state, and ground state electrons; therefore the higher the electron mobility, and conductivity of the MoX2 would be.

  15. 19.2% Efficient InP Heterojunction Solar Cell with Electron-Selective TiO2 Contact

    PubMed Central

    2015-01-01

    We demonstrate an InP heterojunction solar cell employing an ultrathin layer (∼10 nm) of amorphous TiO2 deposited at 120 °C by atomic layer deposition as the transparent electron-selective contact. The TiO2 film selectively extracts minority electrons from the conduction band of p-type InP while blocking the majority holes due to the large valence band offset, enabling a high maximum open-circuit voltage of 785 mV. A hydrogen plasma treatment of the InP surface drastically improves the long-wavelength response of the device, resulting in a high short-circuit current density of 30.5 mA/cm2 and a high power conversion efficiency of 19.2%. PMID:25679010

  16. 19.2% Efficient InP Heterojunction Solar Cell with Electron-Selective TiO 2 Contact

    DOE PAGES

    Yin, Xingtian; Battaglia, Corsin; Lin, Yongjing; ...

    2014-09-25

    We demonstrate an InP heterojunction solar cell employing an ultrathin layer (~10 nm) of amorphous TiO 2 deposited at 120°C by atomic layer deposition as the transparent electron-selective contact. The TiO 2 film selectively extracts minority electrons from the conduction band of p-type InP while blocking the majority holes due to the large valence band offset, enabling a high maximum open-circuit voltage of 785 mV. Lastly, a hydrogen plasma treatment of the InP surface drastically improves the long-wavelength response of the device, resulting in a high short-circuit current density of 30.5 mA/cm 2 and a high power conversion efficiency ofmore » 19.2%.« less

  17. Two symmetric n-type interfaces SrTiO{sub 3}/LaAlO{sub 3} in perovskite: Electronic properties from density functional theory

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Reshak, A. H., E-mail: maalidph@yahoo.co.uk, E-mail: mabujafar@najah.edu; Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis; Abu-Jafar, M. S., E-mail: maalidph@yahoo.co.uk, E-mail: mabujafar@najah.edu

    2016-06-28

    The first principles study of the (001) two symmetric n-type interfaces between two insulating perovskites, the nonpolar SrTiO{sub 3} (STO), and the polar LaAlO{sub 3} (LAO) was performed. We have analyzed the formation of metallic interface states between the STO and LAO heterointerfaces by using the all-electron full-potential linearized augmented plane-wave approach based on the density functional theory, within the local density approximation, the Perdew-Burke-Ernzerhof generalized gradient approximation (PBE-GGA), and the Engel-Vosko GGA (EVGGA) formalism. It has been found that some bands cross the Fermi energy level (E{sub F}), forming a metallic nature of two symmetric n-type 6.5STO/1.5LAO interfaces withmore » density of states at E{sub F}, N(E{sub F}) of about 3.56 (state/eV/unit cell), and bare electronic specific heat coefficient (γ) of about 0.62 mJ/(mol cell K{sup 2}). The electronic band stature and the partial density of states in the vicinity of E{sub F} are mainly originated from Ti1,2,3,4-3dxy orbitals. These bands are responsible for the metallic behavior and the forming of the Fermi surface of the two symmetric n-type 6.5STO/1.5LAO interfaces. To obtain a clear map of the valence band electronic charge density distribution of the two symmetric n-type 6.5STO/1.5LAO interfaces, we have investigated the bond's nature and the interactions between the atoms. It reveals that the charge is attracted towards O atoms as it is clear that the O atoms are surrounded by uniform blue spheres which indicate the maximum charge accumulation.« less

  18. Electron attachment to C{sub 2} fluorocarbon radicals at high temperature

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Shuman, Nicholas S.; Miller, Thomas M.; Viggiano, Albert A., E-mail: afrl.rvborgmailbox@kirtland.af.mil

    Thermal electron attachment to the radical species C{sub 2}F{sub 3} and C{sub 2}F{sub 5} has been studied over the temperature range 300–890 K using the Variable Electron and Neutral Density Attachment Mass Spectrometry technique. Both radicals exclusively undergo dissociative attachment to yield F{sup −}. The rate constant for C{sub 2}F{sub 5} shows little dependence over the temperature range, remaining ∼4 × 10{sup −9} cm{sup 3} s{sup −1}. The rate constant for C{sub 2}F{sub 3} attachment rises steeply with temperature from 3 × 10{sup −11} cm{sup 3} s{sup −1} at 300 K to 1 × 10{sup −9} cm{sup 3} s{sup −1} at 890 K.more » The behaviors of both species at high temperature are in agreement with extrapolations previously made from data below 600 K using a recently developed kinetic modeling approach. Measurements were also made on C{sub 2}F{sub 3}Br and C{sub 2}F{sub 5}Br (used in this work as precursors to the radicals) over the same temperature range, and, for C{sub 2}F{sub 5}Br as a function of electron temperature. The attachment rate constants to both species rise with temperature following Arrhenius behavior. The attachment rate constant to C{sub 2}F{sub 5}Br falls with increasing electron temperature, in agreement with the kinetic modeling. The current data fall in line with past predictions of the kinetic modeling approach, again showing the utility of this simplified approach.« less

  19. Higgs-mode radiance and charge-density-wave order in 2 H -NbSe2

    NASA Astrophysics Data System (ADS)

    Grasset, Romain; Cea, Tommaso; Gallais, Yann; Cazayous, Maximilien; Sacuto, Alain; Cario, Laurent; Benfatto, Lara; Méasson, Marie-Aude

    2018-03-01

    Despite being usually considered two competing phenomena, charge-density wave and superconductivity coexist in few systems, the most emblematic one being the transition-metal dichalcogenide 2 H -NbSe2 . This unusual condition is responsible for specific Raman signatures across the two phase transitions in this compound. While the appearance of a soft phonon mode is a well-established fingerprint of the charge-density-wave order, the nature of the sharp subgap mode emerging below the superconducting temperature is still under debate. In this work we use external pressure as a knob to unveil the delicate interplay between the two orders, and consequently the nature of the superconducting mode. Thanks to an advanced extreme-conditions Raman technique, we are able to follow the pressure evolution and the simultaneous collapse of the two intertwined charge-density-wave and superconducting modes. The comparison with microscopic calculations in a model system supports the Higgs-type nature of the superconducting mode and suggests that charge-density wave and superconductivity in 2 H -NbSe2 involve mutual electronic degrees of freedom. These findings fill the knowledge gap on the electronic mechanisms at play in transition-metal dichalcogenides, a crucial step to fully exploit their properties in few-layer systems optimized for device applications.

  20. Ultralow threading dislocation density in GaN epilayer on near-strain-free GaN compliant buffer layer and its applications in hetero-epitaxial LEDs

    PubMed Central

    Shih, Huan-Yu; Shiojiri, Makoto; Chen, Ching-Hsiang; Yu, Sheng-Fu; Ko, Chung-Ting; Yang, Jer-Ren; Lin, Ray-Ming; Chen, Miin-Jang

    2015-01-01

    High threading dislocation (TD) density in GaN-based devices is a long unresolved problem because of the large lattice mismatch between GaN and the substrate, which causes a major obstacle for the further improvement of next-generation high-efficiency solid-state lighting and high-power electronics. Here, we report InGaN/GaN LEDs with ultralow TD density and improved efficiency on a sapphire substrate, on which a near strain-free GaN compliant buffer layer was grown by remote plasma atomic layer deposition. This “compliant” buffer layer is capable of relaxing strain due to the absorption of misfit dislocations in a region within ~10 nm from the interface, leading to a high-quality overlying GaN epilayer with an unusual TD density as low as 2.2 × 105 cm−2. In addition, this GaN compliant buffer layer exhibits excellent uniformity up to a 6” wafer, revealing a promising means to realize large-area GaN hetero-epitaxy for efficient LEDs and high-power transistors. PMID:26329829

  1. Ultralow threading dislocation density in GaN epilayer on near-strain-free GaN compliant buffer layer and its applications in hetero-epitaxial LEDs.

    PubMed

    Shih, Huan-Yu; Shiojiri, Makoto; Chen, Ching-Hsiang; Yu, Sheng-Fu; Ko, Chung-Ting; Yang, Jer-Ren; Lin, Ray-Ming; Chen, Miin-Jang

    2015-09-02

    High threading dislocation (TD) density in GaN-based devices is a long unresolved problem because of the large lattice mismatch between GaN and the substrate, which causes a major obstacle for the further improvement of next-generation high-efficiency solid-state lighting and high-power electronics. Here, we report InGaN/GaN LEDs with ultralow TD density and improved efficiency on a sapphire substrate, on which a near strain-free GaN compliant buffer layer was grown by remote plasma atomic layer deposition. This "compliant" buffer layer is capable of relaxing strain due to the absorption of misfit dislocations in a region within ~10 nm from the interface, leading to a high-quality overlying GaN epilayer with an unusual TD density as low as 2.2 × 10(5) cm(-2). In addition, this GaN compliant buffer layer exhibits excellent uniformity up to a 6" wafer, revealing a promising means to realize large-area GaN hetero-epitaxy for efficient LEDs and high-power transistors.

  2. Photovoltaic Properties of Two-Dimensional (CH3NH3)2Pb(SCN)2I2 Perovskite: A Combined Experimental and Density Functional Theory Study.

    PubMed

    Xiao, Zewen; Meng, Weiwei; Saparov, Bayrammurad; Duan, Hsin-Sheng; Wang, Changlei; Feng, Chunbao; Liao, Weiqiang; Ke, Weijun; Zhao, Dewei; Wang, Jianbo; Mitzi, David B; Yan, Yanfa

    2016-04-07

    We explore the photovoltaic-relevant properties of the 2D MA2Pb(SCN)2I2 (where MA = CH3NH3(+)) perovskite using a combination of materials synthesis, characterization and density functional theory calculation, and determine electronic properties of MA2Pb(SCN)2I2 that are significantly different from those previously reported in literature. The layered perovskite with mixed-anions exhibits an indirect bandgap of ∼2.04 eV, with a slightly larger direct bandgap of ∼2.11 eV. The carriers (both electrons and holes) are also found to be confined within the 2D layers. Our results suggest that the 2D MA2Pb(SCN)2I2 perovskite may not be among the most promising absorbers for efficient single-junction solar cell applications; however, use as an absorber for the top cell of a tandem solar cell may still be a possibility if films are grown with the 2D layers aligned perpendicular to the substrates.

  3. New Vary-Chap Profile of the Topside Ionosphere Electron Density Distribution for use with the IRI Model and the GIRO Real-Time Data

    NASA Technical Reports Server (NTRS)

    Nsumei, Patrick; Reinisch, Bodo W.; Huang, Xueqin; Bilitza, Dieter

    2012-01-01

    A new Vary-Chap function is introduced for the empirical modeling of the electron density N(h) profile in the topside ionosphere that uses a shape function S(h) in the generalized Chapman function. The Vary-Chap profile extends the bottomside profile that is specified by the IRI model or measured by the Global Ionospheric Radio Observatory (GIRO) to the altitude of the ISIS-2 satellite. Some 80,000 topside profiles, measured by the topside sounder on the ISIS-2 satellite were analyzed, and the shape function S(h) was calculated for each profile. A parameterized function S*(h), composed of two sub-functions S1(h) and S2(h), is fitted to the measured S(h) profile using three free parameters. At altitudes just above the F2 layer peak height hmF2, the shape function S1 controls S(h), and at greater altitudes S2 controls S(h). The height of the intersection of S1 and S2 is defined as the transition height h(sub T) indicating the transition from an O(+) to an H(+)-dominated profile shape. The observed transition heights range from approx.500 km to 800 km.

  4. Determining the Effective Density and Stabilizer Layer Thickness of Sterically Stabilized Nanoparticles

    PubMed Central

    2016-01-01

    A series of model sterically stabilized diblock copolymer nanoparticles has been designed to aid the development of analytical protocols in order to determine two key parameters: the effective particle density and the steric stabilizer layer thickness. The former parameter is essential for high resolution particle size analysis based on analytical (ultra)centrifugation techniques (e.g., disk centrifuge photosedimentometry, DCP), whereas the latter parameter is of fundamental importance in determining the effectiveness of steric stabilization as a colloid stability mechanism. The diblock copolymer nanoparticles were prepared via polymerization-induced self-assembly (PISA) using RAFT aqueous emulsion polymerization: this approach affords relatively narrow particle size distributions and enables the mean particle diameter and the stabilizer layer thickness to be adjusted independently via systematic variation of the mean degree of polymerization of the hydrophobic and hydrophilic blocks, respectively. The hydrophobic core-forming block was poly(2,2,2-trifluoroethyl methacrylate) [PTFEMA], which was selected for its relatively high density. The hydrophilic stabilizer block was poly(glycerol monomethacrylate) [PGMA], which is a well-known non-ionic polymer that remains water-soluble over a wide range of temperatures. Four series of PGMAx–PTFEMAy nanoparticles were prepared (x = 28, 43, 63, and 98, y = 100–1400) and characterized via transmission electron microscopy (TEM), dynamic light scattering (DLS), and small-angle X-ray scattering (SAXS). It was found that the degree of polymerization of both the PGMA stabilizer and core-forming PTFEMA had a strong influence on the mean particle diameter, which ranged from 20 to 250 nm. Furthermore, SAXS was used to determine radii of gyration of 1.46 to 2.69 nm for the solvated PGMA stabilizer blocks. Thus, the mean effective density of these sterically stabilized particles was calculated and determined to lie between 1.19 g

  5. Geomagnetic Storm Effects at F1 Layer Altitudes in Various Periods of Solar Activity (Irkutsk Station)

    NASA Astrophysics Data System (ADS)

    Kushnarenko, G. P.; Yakovleva, O. E.; Kuznetsova, G. M.

    2018-03-01

    The influence of geomagnetic disturbances on electron density Ne at F1 layer altitudes in different conditions of solar activity during the autumnal and vernal seasons of 2003-2015, according to the data from the Irkutsk digital ionospheric station (52° N, 104° E) is examined. Variations of Ne at heights of 150-190 km during the periods of twenty medium-scale and strong geomagnetic storms have been analyzed. At these specified heights, a vernal-autumn asymmetry of geomagnetic storm effects is discovered in all periods of solar activity of 2003-2015: a considerable Ne decrease at a height of 190 km and a weaker effect at lower levels during the autumnal storms. During vernal storms, no significant Ne decrease as compared with quiet conditions was registered over the entire analyzed interval of 150-190 km.

  6. Atomic and electronic structure of the CdTe(111)B–(2√3 × 4) orthogonal surface

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bekenev, V. L., E-mail: bekenev@ipms.kiev.ua; Zubkova, S. M.

    2017-01-15

    The atomic and electronic structure of four variants of Te-terminated CdTe(111)B–(2√3 × 4) orthogonal polar surface (ideal, relaxed, reconstructed, and reconstructed with subsequent relaxation) are calculated ab initio for the first time. The surface is modeled by a film composed of 12 atomic layers with a vacuum gap of ~16 Å in the layered superlattice approximation. To close Cd dangling bonds on the opposite side of the film, 24 fictitious hydrogen atoms with a charge of 1.5 electrons each are added. Ab initio calculations are performed using the Quantum Espresso program based on density functional theory. It is demonstrated thatmore » relaxation leads to splitting of the four upper layers. The band energy structures and total and layer-by-layer densities of electronic states for the four surface variants are calculated and analyzed.« less

  7. Ellipsometric porosimetry on pore-controlled TiO2 layers

    NASA Astrophysics Data System (ADS)

    Rosu, Dana-Maria; Ortel, Erik; Hodoroaba, Vasile-Dan; Kraehnert, Ralph; Hertwig, Andreas

    2017-11-01

    The practical performance of surface coatings in applications like catalysis, water splitting or batteries depends critically on the coating materials' porosity. Determining the porosity in a fast and non-destructive way is still an unsolved problem for industrial thin-films technology. As a contribution to calibrated, non-destructive, optical layer characterisation, we present a multi-method comparison study on porous TiO2 films deposited by sol-gel synthesis on Si wafers. The ellipsometric data were collected on a range of samples with different TiO2 layer thickness and different porosity values. These samples were produced by templated sol-gel synthesis resulting in layers with a well-defined pore size and pore density. The ellipsometry measurement data were analysed by means of a Bruggeman effective medium approximation (BEMA), with the aim to determine the mixture ratio of void and matrix material by a multi-sample analysis strategy. This analysis yielded porosities and layer thicknesses for all samples as well as the dielectric function for the matrix material. Following the idea of multi-method techniques in metrology, the data was referenced to imaging by electron microscopy (SEM) and to a new EPMA (electron probe microanalysis) porosity approach for thin film analysis. This work might lead to a better metrological understanding of optical porosimetry and also to better-qualified characterisation methods for nano-porous layer systems.

  8. Ionospheric Electron Density Measurements Using COSMIC

    NASA Astrophysics Data System (ADS)

    Dymond, K. F.; Budzien, S. A.; Bernhardt, P. A.; Rocken, C.; Syndergaard, S.

    2007-12-01

    At 0140 UTC on April 15, 2006, the joint Taiwan-U.S. COSMIC/FORMOSAT-3 (Constellation Observing System for Meteorology, Ionosphere, and Climate and Formosa Satellite mission #3; hereafter COSMIC) mission, a constellation of six micro-satellites, was launched into a 512-km orbit from Vandenberg Air Force Base in California. Using on-board propulsion these satellites have been deployed to their final orbits at 800 km with 30 degrees of separation. This process has taken about 17 months following the launch. There are three instruments aboard each COSMIC satellite: the GPS Occultation Experiment (GOX), the Tri-Band Beacon (TBB), and the Tiny Ionospheric Photometer (TIP). These three instruments constitute a unique suite of instruments for studying the Earth's ionosphere. The GOX instrument operates by inferring the slant total electron content (the integral of the electron density along the line-of-sight) between the COSMIC satellites and the GPS satellites as a function of tangent height above the Earth's limb. These data can be inverted to produce electron density profiles in the E and F regions of the ionosphere. The TBB is a three frequency radio beacon that radiates coherently at 150, 400, and 1067 MHz. When the relative phases of the signals are measured between the COSMIC satellites and ground-based or space-based receivers, the total electron content along the line-of-sight can be determined. By making the measurements from a set of receivers, the two-dimensional distribution of electrons beneath the satellite can be determined using tomographic techniques. The TIP instrument measures the optical signature of the natural decay of the ionosphere produced via ecombination of the O+ ions and electrons. The TIP measurements can be used to characterize the morphology and dynamics of the global ionosphere. Additionally, the TIP measurements can be inverted in conjunction with the GPS occultation measurements, using tomographic techniques, to produce the two

  9. Electronic properties of moire superlattice bands in layered two dimensional materials

    NASA Astrophysics Data System (ADS)

    Jung, Jeil

    2014-03-01

    When atomically thin two-dimensional materials are layered they often form incommensurate non-crystalline structures that exhibit long period moiré patterns when examined by scanning probes. In this talk, I will present a theoretical method which can be used to derive an effective Hamiltonian for these twisted van der Waals heterostructures using input from ab initio calculations performed on short-period crystalline structures. I will argue that the effective Hamiltonian can quantitatively describe the electronic properties of these layered systems for arbitrary twist angle and lattice constants. Applying this method to the important cases of graphene on graphene and graphene on hexagonal-boron nitride, I will present a series of experimentally observable quantities that can be extracted from their electronic structure, including their density of states and local density of states as a function of twist angle, and compare with available experiments. Work done in collaboration with Allan MacDonald, Shaffique Adam, Arnaud Raoux, Zhenhua Qiao, and Ashley DaSilva; and supported by the Singapore National Research Foundation Fellowship NRF-NRFF2012-01.

  10. Carrier density independent scattering rate in SrTiO₃-based electron liquids

    DOE PAGES

    Mikheev, Evgeny; Raghavan, Santosh; Zhang, Jack Y.; ...

    2016-02-10

    We examine the carrier density dependence of the scattering rate in two- and three-dimensional electron liquids in SrTiO 3 in the regime where it scales with T n (T is the temperature and n ≤ 2) in the cases when it is varied by electrostatic control and chemical doping, respectively. It is shown that the scattering rate is independent of the carrier density. This is contrary to the expectations from Landau Fermi liquid theory, where the scattering rate scales inversely with the Fermi energy (E F). We discuss that the behavior is very similar to systems traditionally identified as non-Fermimore » liquids (n < 2). This includes the cuprates and other transition metal oxide perovskites, where strikingly similar density independent scattering rates have been observed. Ultimately, the results indicate that the applicability of Fermi liquid theory should be questioned for a much broader range of correlated materials and point to the need for a unified theory.« less

  11. Enhanced long-distance transport of periodic electron beams in an advanced double layer cone-channel target

    NASA Astrophysics Data System (ADS)

    Ji, Yanling; Duan, Tao; Zhou, Weimin; Li, Boyuan; Wu, Fengjuan; Zhang, Zhimeng; Ye, Bin; Wang, Rong; Wu, Chunrong; Tang, Yongjian

    2018-02-01

    An enhanced long-distance transport of periodic electron beams in an advanced double layer cone-channel target is investigated using two-dimensional particle-in-cell simulations. The target consists of a cone attached to a double-layer hollow channel with a near-critical-density inner layer. The periodic electron beams are generated by the combination of ponderomotive force and longitudinal laser electric field. Then a stable electron propagation is achieved in the double-layer channel over a much longer distance without evident divergency, compared with a normal cone-channel target. Detailed simulations show that the much better long-distance collimation and guidance of energetic electrons is attributed to the much stronger electromagnetic fields at the inner wall surfaces. Furthermore, a continuous electron acceleration is obtained by the more intense laser electric fields and extended electron acceleration length in the channel. Our investigation shows that by employing this advanced target, both the forward-going electron energy flux in the channel and the energy coupling efficiency from laser to electrons are about threefold increased in comparison with the normal case.

  12. Electron Transport in SrTio3 Accumulation Layers and Semiconductor Nanocrystal Films

    NASA Astrophysics Data System (ADS)

    Fu, Han

    when its total charge number Z exceeds the critical value Zc ≃ R/a, where a is the lattice constant. The net charge eZ n grows with Z until Z exceeds Z*≃ (R/a)9/7. After this point, the charge number of the compact core Zn remains ≃ Z*, with the rest Z electrons forming a sparse Thomas-Fermi atom with it. We also study the case of long cylindrical clusters. In the third part, we look at the details of the surface scattering by roughness of accumulation layers. To connect with previous works on surface roughness scattering, we focus on conventional semiconductors with the linear dielectric response where accumulation layers with very large concentrations of electrons and many subbands filled became recently available due to ionic liquid and other new methods of gating. The low temperature mobility in such layers is limited by the surface roughness scattering. However theories of roughness scattering so far dealt only with the small-density single subband two-dimensional (2D) electron gas. Here we develop a theory of roughness scattering limited mobility for the multisubband large concentration case. We show that with growing 2D electron concentration N the surface dimensionless conductivity sigma/(2e2/h) first decreases as ≃ N-6/5 and then saturates as ˜ (LambdaaB/Delta 2) >> 1, where Lambda and Delta are the characteristic length and height of the surface roughness, aB is the effective Bohr radius. This means that in spite of the shrinkage of the 2D electron gas width and the related increase of the scattering rate, the 2D electron gas remains a good metal. Thus, there is no re-entrant metal-insulator transition at high concentrations conjectured by Das Sarma and Hwang [PRB 89, 121413 (2014)]. The expression of surface relaxation time can be generalized to the STO case where the dielectric response is nonlinear. We find that there is no reentrant metal-insulator transition, either, in STO accumulation layers at experimentally available large N.. Finally, we

  13. Carbazole/triarylamine based polymers as a hole injection/transport layer in organic light emitting devices.

    PubMed

    Wang, Hui; Ryu, Jeong-Tak; Kwon, Younghwan

    2012-05-01

    This study examined the influence of the charge injection barriers on the performance of organic light emitting diodes (OLEDs) using polymers with a stepwise tuned ionization potential (I(p) approximately -5.01 - -5.29 eV) between the indium tin oxide (ITO) (phi approximately -4.8 eV) anode and tris(8-hydroxyquinolinato) aluminium (Alq3) (I(p) approximately -5.7 eV) layer. The energy levels of the polymers were tuned by structural modification. Double layer devices were fabricated with a configuration of ITO/polymer/Alq3/LiF/Al, where the polymers, Alq3, and LiF/Al were used as the hole injection/transport layer, emissive electron transport layer, and electron injection/cathode, respectively. Using the current density-voltage (J-V), luminescence-voltage (L-V) and efficiencies in these double layer devices, the device performance was evaluated in terms of the energy level alignments at the interfaces, such as the hole injection barriers (phi(h)(iTO/polymer) and phi(h)(polymer/Alq3)) from ITO through the polymers into the Alq3 layer, and the electron injection barrier (phi(e)(polymer/Alq3) or electron/exciton blocking barrier) at the polymer/Alq3 interface.

  14. A new inversion algorithm for HF sky-wave backscatter ionograms

    NASA Astrophysics Data System (ADS)

    Feng, Jing; Ni, Binbin; Lou, Peng; Wei, Na; Yang, Longquan; Liu, Wen; Zhao, Zhengyu; Li, Xue

    2018-05-01

    HF sky-wave backscatter sounding system is capable of measuring the large-scale, two-dimensional (2-D) distributions of ionospheric electron density. The leading edge (LE) of a backscatter ionogram (BSI) is widely used for ionospheric inversion since it is hardly affected by any factors other than ionospheric electron density. Traditional BSI inversion methods have failed to distinguish LEs associated with different ionospheric layers, and simply utilize the minimum group path of each operating frequency, which generally corresponds to the LE associated with the F2 layer. Consequently, while the inversion results can provide accurate profiles of the F region below the F2 peak, the diagnostics may not be so effective for other ionospheric layers. In order to resolve this issue, we present a new BSI inversion method using LEs associated with different layers, which can further improve the accuracy of electron density distribution, especially the profile of the ionospheric layers below the F2 region. The efficiency of the algorithm is evaluated by computing the mean and the standard deviation of the differences between inverted parameter values and true values obtained from both vertical and oblique incidence sounding. Test results clearly manifest that the method we have developed outputs more accurate electron density profiles due to improvements to acquire the profiles of the layers below the F2 region. Our study can further improve the current BSI inversion methods on the reconstruction of 2-D electron density distribution in a vertical plane aligned with the direction of sounding.

  15. Volatile organic compounds emission control in industrial pollution source using plasma technology coupled with F-TiO2/γ-Al2O3.

    PubMed

    Zhu, Tao; Chen, Rui; Xia, Ni; Li, Xiaoyang; He, Xianxian; Zhao, Wenjuan; Carr, Tim

    2015-01-01

    Volatile organic compounds' (VOCs) effluents, which come from many industries, are triggering serious environmental problems. As an emerging technology, non-thermal plasma (NTP) technology is a potential technology for VOCs emission control. NTP coupled with F-TiO2/γ-Al2O3 is used for toluene removal from a gaseous influent at normal temperature and atmospheric pressure. NTP is generated by dielectric barrier discharge, and F-TiO2/γ-Al2O3 can be prepared by sol-gel method in the laboratory. In the experiment, the different packed materials were packed into the plasma reactor, including γ-Al2O3, TiO2/γ-Al2O3 and F-TiO2/γ-Al2O3. Through a series of characterization methods such as X-ray diffraction, scanning electronic microscopy and Brunner-Emmet-Teller measurements, the results show that the particle size distribution of F-TiO2 is relatively smaller than that of TiO2, and the pore distribution of F-TiO2 is more uniformly distributed than that of TiO2. The relationships among toluene removal efficiency, reactor input energy density, and the equivalent capacitances of air gap and dielectric barrier layer were investigated. The results show that the synergistic technology NTP with F-TiO2/γ-Al2O3 resulted in greater enhancement of toluene removal efficiency and energy efficiency. Especially, when packing with F-TiO2/γ-Al2O3 in NTP reactor, toluene removal efficiency reaches 99% and higher. Based on the data analysis of Fourier Transform Infrared Spectroscopy, the experimental results showed that NTP reactor packed with F-TiO2/γ-Al2O3 resulted in a better inhibition for by-products formation effectively in the gas exhaust.

  16. Investigating the electronic properties of Al2O3/Cu(In,Ga)Se2 interface

    NASA Astrophysics Data System (ADS)

    Kotipalli, R.; Vermang, B.; Joel, J.; Rajkumar, R.; Edoff, M.; Flandre, D.

    2015-10-01

    Atomic layer deposited (ALD) Al2O3 films on Cu(In,Ga)Se2 (CIGS) surfaces have been demonstrated to exhibit excellent surface passivation properties, which is advantageous in reducing recombination losses at the rear metal contact of CIGS thin-film solar cells. Here, we report, for the first time, experimentally extracted electronic parameters, i.e. fixed charge density (Qf) and interface-trap charge density (Dit), for as-deposited (AD) and post-deposition annealed (PDA) ALD Al2O3 films on CIGS surfaces using capacitance-voltage (C-V) and conductance-frequency (G-f) measurements. These results indicate that the AD films exhibit positive fixed charges Qf (approximately 1012 cm-2), whereas the PDA films exhibit a very high density of negative fixed charges Qf (approximately 1013 cm-2). The extracted Dit values, which reflect the extent of chemical passivation, were found to be in a similar range of order (approximately 1012 cm-2 eV-1) for both AD and PDA samples. The high density of negative Qf in the bulk of the PDA Al2O3 film exerts a strong Coulomb repulsive force on the underlying CIGS minority carriers (ns), preventing them to recombine at the CIGS/Al2O3 interface. Using experimentally extracted Qf and Dit values, SCAPS simulation results showed that the surface concentration of minority carriers (ns) in the PDA films was approximately eight-orders of magnitude lower than in the AD films. The electrical characterization and estimations presented in this letter construct a comprehensive picture of the interfacial physics involved at the Al2O3/CIGS interface.

  17. C70/C70:pentacene/pentacene organic heterojunction as the connecting layer for high performance tandem organic light-emitting diodes: Mechanism investigation of electron injection and transport

    NASA Astrophysics Data System (ADS)

    Guo, Qingxun; Yang, Dezhi; Chen, Jiangshan; Qiao, Xianfeng; Ahamad, Tansir; Alshehri, Saad M.; Ma, Dongge

    2017-03-01

    A high performance tandem organic light-emitting diode (OLED) is realized by employing a C70/C70:pentacene/pentacene organic heterojunction as the efficient charge generation layer (CGL). Not only more than two time enhancement of external quantum efficiency but also significant improvement in both power efficiency and lifetime are well achieved. The mechanism investigations find that the electron injection from the CGL to the adjacent electron transport layer (ETL) in tandem devices is injection rate-limited due to the high interface energy barrier between the CGL and the ETL. By the capacitance-frequency (C-F) and low temperature current density-voltage (J-V) characteristic analysis, we confirm that the electron transport is a space-charge-limited current process with exponential trap distribution. These traps are localized states below the lowest unoccupied molecular orbital edge inside the gap and would be filled with the upward shift of the Fermi level during the n-doping process. Furthermore, both the trap density (Ht) and the activation energy (Ea) could be carefully worked out through low temperature J-V measurements, which is very important for developing high performance tandem OLEDs.

  18. Unconventional Superconductivity in the BiS_{2}-Based Layered Superconductor NdO_{0.71}F_{0.29}BiS_{2}.

    PubMed

    Ota, Yuichi; Okazaki, Kozo; Yamamoto, Haruyoshi Q; Yamamoto, Takashi; Watanabe, Shuntaro; Chen, Chuangtian; Nagao, Masanori; Watauchi, Satoshi; Tanaka, Isao; Takano, Yoshihiko; Shin, Shik

    2017-04-21

    We investigate the superconducting-gap anisotropy in one of the recently discovered BiS_{2}-based superconductors, NdO_{0.71}F_{0.29}BiS_{2} (T_{c}∼5  K), using laser-based angle-resolved photoemission spectroscopy. Whereas the previously discovered high-T_{c} superconductors such as copper oxides and iron-based superconductors, which are believed to have unconventional superconducting mechanisms, have 3d electrons in their conduction bands, the conduction band of BiS_{2}-based superconductors mainly consists of Bi 6p electrons, and, hence, the conventional superconducting mechanism might be expected. Contrary to this expectation, we observe a strongly anisotropic superconducting gap. This result strongly suggests that the pairing mechanism for NdO_{0.71}F_{0.29}BiS_{2} is an unconventional one and we attribute the observed anisotropy to competitive or cooperative multiple paring interactions.

  19. Reconstruction of F-Region Electric Current Densities from more than 2 Years of Swarm Satellite Magnetic data

    NASA Astrophysics Data System (ADS)

    Tozzi, R.; Pezzopane, M.; De Michelis, P.; Pignalberi, A.; Siciliano, F.

    2016-12-01

    The constellation geometry adopted by ESA for Swarm satellites has opened the way to new investigations based on magnetic data. An example is the curl-B technique that allows reconstructing F-region electric current density in terms of its radial, meridional, and zonal components based on data from two satellites of Swarm constellation (Swarm A and B) which fly at different altitudes. Here, we apply this technique to more than 2 years of Swarm magnetic vector data and investigate the average large scale behaviour of F-region current densities as a function of local time, season and different interplanetary conditions (different strength and direction of the three IMF components and/or geomagnetic activity levels).

  20. Characterization of ZrO2 buffer layers for sequentially evaporated Y-Ba-CuO on Si and Al2O3 substrates

    NASA Technical Reports Server (NTRS)

    Valco, George J.; Rohrer, Norman J.; Pouch, John J.; Warner, Joseph D.; Bhasin, Kul B.

    1988-01-01

    Thin film high temperature superconductors have the potential to change the microwave technology for space communications systems. For such applications it is desirable that the films be formed on substrates such as Al2O3 which have good microwave properties. The use of ZrO2 buffer layers between Y-Ba-Cu-O and the substrate has been investigated. These superconducting films have been formed by multilayer sequential electron beam evaporation of Cu, BaF2 and Y with subsequent annealing. The three layer sequence of Y/BaF2/Cu is repeated four times for a total of twelve layers. Such a multilayer film, approximately 1 micron thick, deposited directly on SrTiO3 and annealed at 900 C for 45 min produces a film with a superconducting onset of 93 K and critical temperature of 85 K. Auger electron spectroscopy in conjunction with argon ion sputtering was used to obtain the distribution of each element as a function of depth for an unannealed film, the annealed film on SrTiO3 and annealed films on ZrO2 buffer layers. The individual layers were apparent. After annealing, the bulk of the film on SrTiO3 is observed to be fairly uniform while films on the substrates with buffer layers are less uniform. The Y-Ba-Cu-O/ZrO2 interface is broad with a long Ba tail into the ZrO2, suggesting interaction between the film and the buffer layer. The underlying ZrO2/Si interface is sharper. The detailed Auger results are presented and compared with samples annealed at different temperatures and durations.

  1. Fingerprint-Based Structure Retrieval Using Electron Density

    PubMed Central

    Yin, Shuangye; Dokholyan, Nikolay V.

    2010-01-01

    We present a computational approach that can quickly search a large protein structural database to identify structures that fit a given electron density, such as determined by cryo-electron microscopy. We use geometric invariants (fingerprints) constructed using 3D Zernike moments to describe the electron density, and reduce the problem of fitting of the structure to the electron density to simple fingerprint comparison. Using this approach, we are able to screen the entire Protein Data Bank and identify structures that fit two experimental electron densities determined by cryo-electron microscopy. PMID:21287628

  2. [Carbon density distribution characteristics and influencing factors in aerially seeded Pinus massoniana plantations].

    PubMed

    Pan, Ping; Han, Tian Yi; OuYang, Xun Zhi; Liu, Yuan Qiu; Zang, Hao; Ning, Jin Kui; Yang, Yang

    2017-12-01

    The distribution characteristics of carbon density under aerially seeded Pinus massoniana plantations in Ganzhou City of Jiangxi Province were studied. Total 15 factors, including site, stand, understory vegetation, litter and so on were selected to establish a relationship model between stand carbon density and influencing factors, and the main influencing factors were also screened. The results showed that the average carbon density was 98.29 t·hm -2 at stand level with soil layer (49.58 t·hm -2 ) > tree layer (45.25 t·hm -2 ) > understory vegetation layer (2.23 t·hm -2 ) > litter layer (1.23 t·hm -2 ). Significantly positive correlations were found among the tree, litter and soil layers, but not among the other layers. The main factors were tree density, avera-ge diameter at breast height (DBH), soil thickness, slope position, stand age and canopy density to affect carbon density in aerially seeded P. massoniana plantations. The partial correlation coefficients of the six main factors ranged from 0.331 to 0.434 with significance by t test. The multiple correlation coefficient of quantitative model I reached 0.796 with significance by F test (F=9.28). For stand density, the best tree density and canopy density were 1500-2100 plants·hm -2 and 0.4-0.7, respectively. The moderate density was helpful to improve ecosystem carbon sequestration. The carbon density increased with increasing stand age, DBH and soil thickness, and was higher in lower than middle and upper slope positions.

  3. How the Number of Layers and Relative Position Modulate the Interlayer Electron Transfer in π-Stacked 2D Materials.

    PubMed

    Biancardi, Alessandro; Caraiani, Claudiu; Chan, Wai-Lun; Caricato, Marco

    2017-04-06

    Understanding the interfacial electron transfer (IET) between 2D layers is central to technological applications. We present a first-principles study of the IET between a zinc phthalocyanine film and few-layer graphene by using our recent method for the calculation of electronic coupling in periodic systems. The ultimate goal is the development of a predictive in silico approach for designing new 2D materials. We find IET to be critically dependent on the number of layers and their stacking orientation. In agreement with experiment, IET to single-layer graphene is shown to be faster than that to double-layer graphene due to interference effects between layers. We predict that additional graphene layers increase the number of IET pathways, eventually leading to a faster rate. These results shed new light on the subtle interplay between structure and IET, which may lead to more effective "bottom up" design strategies for these materials.

  4. Electron-driven excitation of O 2 under night-time auroral conditions: Excited state densities and band emissions

    NASA Astrophysics Data System (ADS)

    Jones, D. B.; Campbell, L.; Bottema, M. J.; Teubner, P. J. O.; Cartwright, D. C.; Newell, W. R.; Brunger, M. J.

    2006-01-01

    Electron impact excitation of vibrational levels in the ground electronic state and seven excited electronic states in O 2 have been simulated for an International Brightness Coefficient-Category 2+ (IBC II+) night-time aurora, in order to predict O 2 excited state number densities and volume emission rates (VERs). These number densities and VERs are determined as a function of altitude (in the range 80-350 km) in the present study. Recent electron impact excitation cross-sections for O 2 were combined with appropriate altitude dependent IBC II+ auroral secondary electron distributions and the vibrational populations of the eight O 2 electronic states were determined under conditions of statistical equilibrium. Pre-dissociation, atmospheric chemistry involving atomic and molecular oxygen, radiative decay and quenching of excited states were included in this study. This model predicts relatively high number densities for the X3Σg-(v'⩽4),a1Δandb1Σg+ metastable electronic states and could represent a significant source of stored energy in O 2* for subsequent thermospheric chemical reactions. Particular attention is directed towards the emission intensities of the infrared (IR) atmospheric (1.27 μm), Atmospheric (0.76 μm) and the atomic oxygen 1S→ 1D transition (5577 Å) lines and the role of electron-driven processes in their origin. Aircraft, rocket and satellite observations have shown both the IR atmospheric and Atmospheric lines are dramatically enhanced under auroral conditions and, where possible, we compare our results to these measurements. Our calculated 5577 Å intensity is found to be in good agreement with values independently measured for a medium strength IBC II+ aurora.

  5. Structural and electrical properties of Nb doped TiO{sub 2} films prepared by the sol–gel layer-by-layer technique

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Duta, M., E-mail: mduta@icf.ro; Simeonov, S.; Teodorescu, V.

    2016-02-15

    Highlights: • TiO{sub 2}:Nb (1.2 at.%) multilayer films were deposited by sol–gel method on glass and Si. • 5 and 10 layers TiO{sub 2}:Nb films crystallize only in the anatase phase. • E{sub g} values are within 3.24–3.32 eV showing a decrease with increasing the layer number. • The specific resistivity, effective donor and sheet energy densities were obtained. • Nb donor compensation by acceptor levels in TiO{sub 2}:Nb film was suggested. - Abstract: Thin films of 5 and 10-layered sol–gel TiO{sub 2} were doped with 1.2 at.% Nb and their structural, optical and electrical properties were investigated. The filmsmore » crystallized only in anatase phase, as evidenced by X-ray diffraction and selected area electron diffraction analyses. High resolution transmission electron microscopy revealed nanosized crystallites with amorphous boundaries. Current-voltage measurements on metal-TiO{sub 2}–Si structures showed the formation of n{sup +}–n heterojunction at the TiO{sub 2}–Si interface with a rectification ratio of 10{sup 4}. The effective donor density varies between 10{sup 16} and 10{sup 17} cm{sup −3}, depending on film thickness. The sheet energy densities under forward and reverse bias are in the order of 10{sup 12} and 10{sup 10} cm{sup −2} eV{sup −1}, respectively. These values and the high specific resistivity (10{sup 4} Ω cm) support the existence of compensating acceptor levels in these films. It was established that the conduction mechanism is based on space charge limited current via deep levels with different energy positions in the band gap.« less

  6. Relations for lipid bilayers. Connection of electron density profiles to other structural quantities.

    PubMed Central

    Nagle, J F; Wiener, M C

    1989-01-01

    Three relations are derived that connect low angle diffraction/scattering results obtained from lipid bilayers to other structural quantities of interest. The first relates the area along the surface of the bilayer, the measured specific volume, and the zeroth order structure factor, F(0). The second relates the size of the trough in the center of the electron density profile, the volume of the terminal methyl groups, and the volume of the methylene groups in the fatty acid chains. The third relates the size of the headgroup electron density peak, the volume of the headgroup, and the volumes of water and hydrocarbon in the headgroup region. These relations, which are easily modified for neutron diffraction, are useful for obtaining structural quantities from electron density profiles obtained by fitting model profiles to measured low angle x-ray intensities. PMID:2713444

  7. On the Ground Electronic States of TiF and TiCl

    NASA Astrophysics Data System (ADS)

    Boldyrev, Alexander I.; Simons, Jack

    1998-04-01

    The low-lying electronic states of TiF and TiCl have been studied using high levelab initiotechniques. Both are found to have two low-lying excited electronic states,4Σ-(0.080 eV (TiF) and 0.236 eV (TiCl)) and2Δ (0.266 eV (TiF) and 0.348 eV (TiCl)), and4Φ ground states at the highest CCSD(T)/6-311++G(2d,2f) level of theory. Our theoretical predictions of4Φ ground electronic states for TiF and TiCl support recent experimental findings by Ram and Bernath, and our calculated bond lengths and vibrational frequencies are in reasonable agreement with their experimental data.

  8. Experimental and DFT Studies of the Electron-Withdrawing Ability of Perfluoroalkyl (R F) Groups: Electron Affinities of PAH(R F) n Increase Significantly with Increasing R F Chain Length

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    San, Long K.; Spisak, Sarah N.; Dubceac, Cristina

    Two series of aromatic compounds with perfluoroalkyl (RF) groups of increasing length, 1,3,5,7-naphthalene(RF)4 and 1,3,5,7,9-corannulene(RF)5, have been prepared and their electronic properties studied by low-temperature PES (i.e., gas-phase electron affinity (EA) measurements). These and many related compounds were also studied by DFT calculations. The data demonstrate unambiguously that the electron-withdrawing ability of RF substituents increases significantly and uniformly from CF3 to C2F5 to n-C3F7 to n-C4F9.

  9. Experimental and DFT Studies of the Electron-Withdrawing Ability of Perfluoroalkyl (R-F) Groups: Electron Affinities of PAH(R-F)(n) Increase Significantly with Increasing R-F Chain Length

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    San, Long K.; Spisak, Sarah N.; Dubceac, Cristina

    2018-01-26

    Two series of aromatic compounds with perfluoroalkyl (RF) groups of increasing length, 1,3,5,7-naphthalene(RF)4 and 1,3,5,7,9-corannulene(RF)5, have been prepared and their electronic properties studied by low-temperature PES (i.e., gas-phase electron affinity (EA) measurements). These and many related compounds were also studied by DFT calculations. The data demonstrate unambiguously that the electron-withdrawing ability of RF substituents increases significantly and uniformly from CF3 to C2F5 to n-C3F7 to n-C4F9.

  10. Development of very high J c in Ba(Fe 1-xCo x) 2As 2 thin films grown on CaF 2

    DOE PAGES

    Tarantini, C.; Kametani, F.; Lee, S.; ...

    2014-12-03

    Ba(Fe 1-xCo x) 2As 2 is the most tunable of the Fe-based superconductors (FBS) in terms of acceptance of high densities of self-assembled and artificially introduced pinning centres which are effective in significantly increasing the critical current density, J c. Moreover, FBS are very sensitive to strain, which induces an important enhancement in critical temperature,T c, of the material. In this study we demonstrate that strain induced by the substrate can further improve J c of both single and multilayer films by more than that expected simply due to the increase in T c. The multilayer deposition of Ba(Fe 1-xComore » x) 2As 2 on CaF 2 increases the pinning force density (F p=J c x μ₀H) by more than 60% compared to a single layer film, reaching a maximum of 84 GN/m 3 at 22.5 T and 4.2 K, the highest value ever reported in any 122 phase.« less

  11. TiO2-Based Indium Phosphide Metal-Oxide-Semiconductor Capacitor with High Capacitance Density.

    PubMed

    Cheng, Chun-Hu; Hsu, Hsiao-Hsuan; Chou, Kun-i

    2015-04-01

    We report a low-temperature InP p-MOS with a high capacitance density of 2.7 µF/cm2, low leakage current of 0.77 A/cm2 at 1 V and tight current distribution. The high-density and low-leakage InP MOS was achieved by using high-κ TiLaO dielectric and ultra-thin SiO2 buffer layer with a thickness of less than 0.5 nm. The obtained EOT can be aggressively scaled down to < 1 nm through the use of stacked TiLaO/SiO2 dielectric, which has the potential for the future application of high mobility III-V CMOS devices.

  12. Optimization of MgF2-deposition temperature for far UV Al mirrors.

    PubMed

    De Marcos, Luis V Rodríguez; Larruquert, Juan I; Méndez, José A; Gutiérrez-Luna, Nuria; Espinosa-Yáñez, Lucía; Honrado-Benítez, Carlos; Chavero-Royán, José; Perea-Abarca, Belén

    2018-04-02

    Progress towards far UV (FUV) coatings with enhanced reflectance is invaluable for future space missions, such as LUVOIR. This research starts with the procedure developed to enhance MgF 2 -protected Al reflectance through depositing MgF 2 on a heated aluminized substrate [Quijada et al., Proc. SPIE 8450, 84502H (2012)] and it establishes the optimum deposition temperature of the MgF 2 protective film for Al mirrors with a reflectance as high as ~90% at 121.6 nm. Al films were deposited at room temperature and protected with a MgF 2 film deposited at various temperatures ranging from room temperature to 350°C. It has been found that mirror reflectance in the short FUV range continuously increases with MgF 2 deposition temperature up to 250°C, whereas reflectance decreases at temperatures of 300°C and up. The short-FUV reflectance of mirrors deposited at 250°C only slightly decreased over time by less than 1%, compared to a larger decay for standard coatings prepared at room temperature. Al mirrors protected with MgF 2 deposited at room temperature that were later annealed displayed a similar reflectance enhancement that mirrors protected at high temperatures. MgF 2 and Al roughness as well as MgF 2 density were analyzed by x-ray grazing incidence reflectometry. A noticeable reduction in both Al and MgF 2 roughness, as well as an increase of MgF 2 density, were measured for films deposited at high temperatures. On the other hand, it was found a strong correlation between the protective-layer deposition temperature (or post-deposition annealing temperature) and the pinhole open area in Al films, which could be prevented with a somewhat thicker Al film.

  13. ZnS/Al2S3 Layer as a Blocking Layer in Quantum Dot Sensitized Solar Cells

    NASA Astrophysics Data System (ADS)

    Vafapoor, Borzoo; Fathi, Davood; Eskandari, Mehdi

    2017-12-01

    In this research, the effect of treatment of the CdS/CdSe sensitized ZnO photoanode by ZnS, Al2S3, and ZnS/Al2S3 nanoparticles as a barrier layer on the performance of quantum dot sensitized solar cell is investigated. Current density-voltage (J-V) characteristics show that cell efficiency is enhanced from 3.62% to 4.82% with treatment of a CdS/CdSe/ZnS sensitized ZnO photoanode by Al2S3 nanoparticles. In addition, short- circuit current density (J sc) is increased from 11.5 mA/cm2 to 14.8 mA/cm2. The results extracted from electrochemical impedance spectroscopy indicate that charge transfer resistance (R ct) in photoanode/electrolyte interfaces decreases with deposition of Al2S3 nanoparticles on CdS/CdSe/ZnS sensitized ZnO photoanodes, while the chemical capacitance of photoanode (C μ ) and electron lifetime (t n) increase. Also, results revealed that cell performance is considerably decreased with the treatment of the AL2S3 blocking layer incorporated between ZnO nanorods and CdS/CdSe QDs.

  14. ZnS/Al2S3 Layer as a Blocking Layer in Quantum Dot Sensitized Solar Cells

    NASA Astrophysics Data System (ADS)

    Vafapoor, Borzoo; Fathi, Davood; Eskandari, Mehdi

    2018-03-01

    In this research, the effect of treatment of the CdS/CdSe sensitized ZnO photoanode by ZnS, Al2S3, and ZnS/Al2S3 nanoparticles as a barrier layer on the performance of quantum dot sensitized solar cell is investigated. Current density-voltage ( J- V) characteristics show that cell efficiency is enhanced from 3.62% to 4.82% with treatment of a CdS/CdSe/ZnS sensitized ZnO photoanode by Al2S3 nanoparticles. In addition, short- circuit current density ( J sc) is increased from 11.5 mA/cm2 to 14.8 mA/cm2. The results extracted from electrochemical impedance spectroscopy indicate that charge transfer resistance ( R ct) in photoanode/electrolyte interfaces decreases with deposition of Al2S3 nanoparticles on CdS/CdSe/ZnS sensitized ZnO photoanodes, while the chemical capacitance of photoanode ( C μ ) and electron lifetime ( t n) increase. Also, results revealed that cell performance is considerably decreased with the treatment of the AL2S3 blocking layer incorporated between ZnO nanorods and CdS/CdSe QDs.

  15. Pulsed Laser-Assisted Focused Electron-Beam-Induced Etching of Titanium with XeF 2 : Enhanced Reaction Rate and Precursor Transport

    DOE PAGES

    Noh, J. H.; Fowlkes, J. D.; Timilsina, R.; ...

    2015-01-28

    We introduce a laser-assisted focused electron-beam-induced etching (LA-FEBIE) process which is a versatile, direct write nanofabrication method that allows nanoscale patterning and editing; we do this in order to enhance the etch rate of electron-beam-induced etching. The results demonstrate that the titanium electron stimulated etch rate via the XeF2 precursor can be enhanced up to a factor of 6 times with an intermittent pulsed laser assist. Moreover, the evolution of the etching process is correlated to in situ stage current measurements and scanning electron micrographs as a function of time. Finally, the increased etch rate is attributed to photothermally enhancedmore » Ti–F reaction and TiF4 desorption and in some regimes enhanced XeF2 surface diffusion to the reaction zone.« less

  16. A short note on the assimilation of collocated and concurrent GPS and ionosonde data into the Electron Density Assimilative Model

    NASA Astrophysics Data System (ADS)

    Angling, M. J.; Jackson-Booth, N. K.

    2011-12-01

    The Electron Density Assimilative Model (EDAM) has been developed to provide real-time characterizations of the ionosphere by assimilating diverse data sets into a background model. Techniques have been developed to assimilate virtual height ionogram traces rather than relying on true height inversions. A test assimilation has been conducted using both GPS and ionosonde data as input. Postassimilation analysis shows that foF2 residuals can be degraded when only GPS data are assimilated. It has also been demonstrated that by using both data types it is possible to have low total electron content and foF2 residuals and that this is achieved by modifying the ionospheric slab thickness.

  17. Surface State Density Determines the Energy Level Alignment at Hybrid Perovskite/Electron Acceptors Interfaces.

    PubMed

    Zu, Fengshuo; Amsalem, Patrick; Ralaiarisoa, Maryline; Schultz, Thorsten; Schlesinger, Raphael; Koch, Norbert

    2017-11-29

    Substantial variations in the electronic structure and thus possibly conflicting energetics at interfaces between hybrid perovskites and charge transport layers in solar cells have been reported by the research community. In an attempt to unravel the origin of these variations and enable reliable device design, we demonstrate that donor-like surface states stemming from reduced lead (Pb 0 ) directly impact the energy level alignment at perovskite (CH 3 NH 3 PbI 3-x Cl x ) and molecular electron acceptor layer interfaces using photoelectron spectroscopy. When forming the interfaces, it is found that electron transfer from surface states to acceptor molecules occurs, leading to a strong decrease in the density of ionized surface states. As a consequence, for perovskite samples with low surface state density, the initial band bending at the pristine perovskite surface can be flattened upon interface formation. In contrast, for perovskites with a high surface state density, the Fermi level is strongly pinned at the conduction band edge, and only minor changes in surface band bending are observed upon acceptor deposition. Consequently, depending on the initial perovskite surface state density, very different interface energy level alignment situations (variations over 0.5 eV) are demonstrated and rationalized. Our findings help explain the rather dissimilar reported energy levels at interfaces with perovskites, refining our understanding of the operating principles in devices comprising this material.

  18. Thin layer asphaltic concrete density measuring using nuclear gages.

    DOT National Transportation Integrated Search

    1989-03-01

    A Troxler 4640 thin layer nuclear gage was evaluated under field conditions to determine if it would provide improved accuracy of density measurements on asphalt overlays of 1-3/4 and 2 inches in thickness. Statistical analysis shows slightly improve...

  19. Fingerprint-based structure retrieval using electron density.

    PubMed

    Yin, Shuangye; Dokholyan, Nikolay V

    2011-03-01

    We present a computational approach that can quickly search a large protein structural database to identify structures that fit a given electron density, such as determined by cryo-electron microscopy. We use geometric invariants (fingerprints) constructed using 3D Zernike moments to describe the electron density, and reduce the problem of fitting of the structure to the electron density to simple fingerprint comparison. Using this approach, we are able to screen the entire Protein Data Bank and identify structures that fit two experimental electron densities determined by cryo-electron microscopy. Copyright © 2010 Wiley-Liss, Inc.

  20. AlGaN/GaN High Electron Mobility Transistor Grown and Fabricated on ZrTi Metallic Alloy Buffer Layers

    DOE PAGES

    Ren, Fan; Pearton, Stephen J.; Ahn, Shihyun; ...

    2017-09-26

    AlGaN/GaN high electron mobility transistors (HEMTs) were demonstrated for structures grown on ZrTi metallic alloy buffer layers, which provided lattice matching of the in-plane lattice parameter (“a-parameter”) to hexagonal GaN. The quality of the GaN buffer layer and HEMT structure were confirmed with X-ray 2θ and rocking scans as well as cross-section transmission electron microscopy (TEM) images. The X-ray 2θ scans showed full widths at half maximum (FWHM) of 0.06°, 0.05° and 0.08° for ZrTi alloy, GaN buffer layer, and the entire HEMT structure, respectively. TEM of the lower section of the HEMT structure containing the GaN buffer layer andmore » the AlN/ZrTi/AlN stack on the Si substrate showed that it was important to grow AlN on the top of ZrTi prior to growing the GaN buffer layer. Finally, the estimated threading dislocation (TD) density in the GaN channel layer of the HEMT structure was in the 10 8 cm -2 range.« less

  1. Effect of trapped electrons on the transient current density and luminance of organic light-emitting diode

    NASA Astrophysics Data System (ADS)

    Lee, Jiun-Haw; Chen, Chia-Hsun; Lin, Bo-Yen; Shih, Yen-Chen; Lin, King-Fu; Wang, Leeyih; Chiu, Tien-Lung; Lin, Chi-Feng

    2018-04-01

    Transient current density and luminance from an organic light-emitting diode (OLED) driven by voltage pulses were investigated. Waveforms with different repetition rate, duty cycle, off-period, and on-period were used to study the injection and transport characteristics of electron and holes in an OLED under pulse operation. It was found that trapped electrons inside the emitting layer (EML) and the electron transporting layer (ETL) material, tris(8-hydroxyquinolate)aluminum (Alq3) helped for attracting the holes into the EML/ETL and reducing the driving voltage, which was further confirmed from the analysis of capacitance-voltage and displacement current measurement. The relaxation time and trapped filling time of the trapped electrons in Alq3 layer were ~200 µs and ~600 µs with 6 V pulse operation, respectively.

  2. Atomic layer deposition of molybdenum disulfide films using MoF 6 and H 2 S

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mane, Anil U.; Letourneau, Steven; Mandia, David J.

    2018-01-01

    Molybdenum sulfide films were grown by atomic layer deposition on silicon and fused silica substrates using molybdenum hexafluoride (MoF6) and hydrogen sulfide at 200 degrees C. In situ quartz crystal microbalance (QCM) measurements confirmed linear growth at 0.46 angstrom/cycle and self-limiting chemistry for both precursors. Analysis of the QCM step shapes indicated that MoS2 is the reaction product, and this finding is supported by x-ray photoelectron spectroscopy measurements showing that Mo is predominantly in the Mo(IV) state. However, Raman spectroscopy and x-ray diffraction measurements failed to identify crystalline MoS2 in the as-deposited films, and this might result from unreacted MoFxmore » residues in the films. Annealing the films at 350 degrees C in a hydrogen rich environment yielded crystalline MoS2 and reduced the F concentration in the films. Optical transmission measurements yielded a bandgap of 1.3 eV. Finally, the authors observed that the MoS2 growth per cycle was accelerated when a fraction of the MoF6 pulses were substituted with diethyl zinc. Published by the AVS« less

  3. Measurements of the quantitative lateral analytical resolution at evaporated aluminium and silver layers with the JEOL JXA-8530F FEG-EPMA

    NASA Astrophysics Data System (ADS)

    Berger, D.; Nissen, J.

    2018-01-01

    The studies in this paper are part of systematic investigations of the lateral analytical resolution of the field emission electron microprobe JEOL JXA-8530F. Hereby, the quantitative lateral resolution, which is achieved in practise, is in the focus of interest. The approach is to determine the minimum thickness of a metallic layer for which an accurate quantitative element analysis in cross-section is still possible. Previous measurements were accomplished at sputtered gold (Z = 79) layers, where a lateral resolution in the range of 140 to 170 nm was achieved at suitable parameters of the microprobe. To study the Z-dependence of the lateral resolution, now aluminium (Z = 13) resp. silver (Z = 47) layers with different thicknesses were generated by evaporation and prepared in cross-section subsequently by use of a focussed Ga-ion beam (FIB). Each layer was analysed quantitatively with different electron energies. The thinnest layer which can be resolved specifies the best lateral resolution. These measured values were compared on the one hand with Monte Carlo simulations and on the other hand with predictions from formulas from the literature. The measurements fit well to the simulated and calculated values, except the ones at the lowest primary electron energies with an overvoltage below ˜ 2. The reason for this discrepancy is not clear yet and has to be clarified by further investigations. The results apply for any microanalyser - even with energy-dispersive X-ray spectrometry (EDS) detection - if the probe diameters, which might deviate from those of the JEOL JXA-8530F, at suitable analysing parameters are considered.

  4. Investigation of the Influence of Heat Balance Shifts on the Freeze Microstructure and Composition in Aluminum Smelting Bath System: Cryolite-CaF2-AlF3-Al2O3

    NASA Astrophysics Data System (ADS)

    Liu, Jingjing; Fallah-Mehrjardi, Ata; Shishin, Denis; Jak, Evgueni; Dorreen, Mark; Taylor, Mark

    2017-12-01

    In an aluminum electrolysis cell, the side ledge forms on side walls to protect it from the corrosive cryolitic bath. In this study, a series of laboratory analogue experiments have been carried out to investigate the microstructure and composition of side ledge (freeze linings) at different heat balance steady states. Three distinct layers are found in the freeze linings formed in the designed Cryolite-CaF2-AlF3-Al2O3 electrolyte system: a closed (columnar) crystalline layer, an open crystalline layer, and a sealing layer. This layered structure changes when the heat balance is shifted between different steady states, by melting or freezing the open crystalline layer. Phase chemistry of the freeze lining is studied in this paper to understand the side ledge formation process upon heat balance shifts. Electron probe X-ray microanalysis (EPMA) is used to characterize the microstructure and compositions of distinct phases existing in the freeze linings, which are identified as cryolite, chiolite, Ca-cryolite, and alumina. A freeze formation mechanism is further developed based on these microstructural/compositional investigations and also thermodynamic calculations through the software—FactSage. It is found that entrapped liquid channels exist in the open crystalline layer, assisting with the mass transfer between solidified crystals and bulk molten bath.

  5. Saturn's ionosphere: Inferred electron densities

    NASA Technical Reports Server (NTRS)

    Kaiser, M. L.; Desch, M. D.; Connerney, J. E. P.

    1983-01-01

    During the two Voyager encounters with Saturn, radio bursts were detected which appear to have originated from atmospheric lightning storms. Although these bursts generally extended over frequencies from as low as 100 kHz to the upper detection limit of the instrument, 40 MHz, they often exhibited a sharp but variable low frequency cutoff below which bursts were not detected. We interpret the variable low-frequency extent of these bursts to be due to the reflection of the radio waves as they propagate through an ionosphere which varies with local time. We obtain estimates of electron densities at a variety of latitude and local time locations. These compare well with the dawn and dusk densitis measured by the Pioneer 11 Voyager Radio Science investigations, and with model predictions for dayside densities. However, we infer a two-order-of-magnitude diurnal variation of electron density, which had not been anticipated by theoretical models of Saturn's ionosphere, and an equally dramatic extinction of ionospheric electron density by Saturn's rings.

  6. Carrier Density at LaAlO3/SrTiO3 Interfaces: Evidence of Electronic Reconstruction.

    NASA Astrophysics Data System (ADS)

    Xi, Xiaoxing

    The origin of the 2D electron gas at the LaAlO3/SrTiO3 interface has been a controversial subject ever since its discovery. A serious inconsistency with the most accepted mechanism, an electronic reconstruction in response to a polar discontinuity at the interface, is that the carrier densities reported experimentally are invariably lower than the expected value except under conditions where reduction of SrTiO3 substrate is suspected. We have grown LaAlO3 films of different stoichiometry on TiO2-terminated SrTiO3 substrates using atomic layer-by-layer laser molecular beam epitaxy (ALL-Laser MBE), in which La2O3 and Al2O3 targets were sequentially ablated in 37 mTorr oxygen. The high oxygen pressure during growth prevents the possible oxygen reduction in SrTiO3, ensures that the LaAlO3 films are sufficiently oxygenated, and suppresses the La-Sr intermixing due to the bombardment effect. X-ray linear dichroism (XLD) and x-ray magnetic circular dichroism (XMCD) measurements show characteristics of oxygenated samples. In the electronic reconstruction picture, instead of the charge transfer of half of an electron in the case of a sufficiently thick stoichiometric LaAlO3, a LaAlO3 film thickness dependence is expected as well as a linear dependence on stoichiometry. Our experimental results on carrier densities in 10 nm-thick LaAl1 +yO3(1 +0.5y) films agree quantitatively with the theoretical expectations, lending a strong support for the electronic reconstruction mechanism. This material is based upon work supported by the U.S. Department of Energy, Office of Science, under Grant No. DE-SC0004764.

  7. On the Ground Electronic States of TiF and TiCl

    PubMed

    Boldyrev; Simons

    1998-04-01

    The low-lying electronic states of TiF and TiCl have been studied using high level ab initio techniques. Both are found to have two low-lying excited electronic states, 4Sigma- (0.080 eV (TiF) and 0.236 eV (TiCl)) and 2Delta (0.266 eV (TiF) and 0.348 eV (TiCl)), and 4Phi ground states at the highest CCSD(T)/6-311++G(2d,2f) level of theory. Our theoretical predictions of 4Phi ground electronic states for TiF and TiCl support recent experimental findings by Ram and Bernath, and our calculated bond lengths and vibrational frequencies are in reasonable agreement with their experimental data. Copyright 1998 Academic Press.

  8. Reduction in interface defect density in p-BaSi2/n-Si heterojunction solar cells by a modified pretreatment of the Si substrate

    NASA Astrophysics Data System (ADS)

    Yamashita, Yudai; Yachi, Suguru; Takabe, Ryota; Sato, Takuma; Emha Bayu, Miftahullatif; Toko, Kaoru; Suemasu, Takashi

    2018-02-01

    We have investigated defects that occurred at the interface of p-BaSi2/n-Si heterojunction solar cells that were fabricated by molecular beam epitaxy. X-ray diffraction measurements indicated that BaSi2 (a-axis-oriented) was subjected to in-plane compressive strain, which relaxed when the thickness of the p-BaSi2 layer exceeded 50 nm. Additionally, transmission electron microscopy revealed defects in the Si layer near steps that were present on the Si(111) substrate. Deep level transient spectroscopy revealed two different electron traps in the n-Si layer that were located at 0.33 eV (E1) and 0.19 eV (E2) below the conduction band edge. The densities of E1 and E2 levels in the region close to the heterointerface were approximately 1014 cm-3. The density of these electron traps decreased below the limits of detection following Si pretreatment to remove the oxide layers from the n-Si substrate, which involved heating the substrate to 800 °C for 30 min under ultrahigh vacuum while depositing a layer of Si (1 nm). The remaining traps in the n-Si layer were hole traps located at 0.65 eV (H1) and 0.38 eV (H2) above the valence band edge. Their densities were as low as 1010 cm-3. Following pretreatment, the current versus voltage characteristics of the p-BaSi2/n-Si solar cells under AM1.5 illumination were reproducible with conversion efficiencies beyond 5% when using a p-BaSi2 layer thickness of 100 nm. The origin of the H2 level is discussed.

  9. Enhanced Laser-Driven Ion Acceleration by Superponderomotive Electrons Generated from Near-Critical-Density Plasma

    NASA Astrophysics Data System (ADS)

    Bin, J. H.; Yeung, M.; Gong, Z.; Wang, H. Y.; Kreuzer, C.; Zhou, M. L.; Streeter, M. J. V.; Foster, P. S.; Cousens, S.; Dromey, B.; Meyer-ter-Vehn, J.; Zepf, M.; Schreiber, J.

    2018-02-01

    We report on the experimental studies of laser driven ion acceleration from a double-layer target where a near-critical density target with a few-micron thickness is coated in front of a nanometer-thin diamondlike carbon foil. A significant enhancement of proton maximum energies from 12 to ˜30 MeV is observed when a relativistic laser pulse impinges on the double-layer target under linear polarization. We attributed the enhanced acceleration to superponderomotive electrons that were simultaneously measured in the experiments with energies far beyond the free-electron ponderomotive limit. Our interpretation is supported by two-dimensional simulation results.

  10. Light interaction in sapphire/MgF2/Al triple-layer omnidirectional reflectors in AlGaN-based near ultraviolet light-emitting diodes

    PubMed Central

    Lee, Keon Hwa; Moon, Yong-Tae; Song, June-O; Kwak, Joon Seop

    2015-01-01

    This study examined systematically the mechanism of light interaction in the sapphire/MgF2/Al triple-layer omnidirectional reflectors (ODR) and its effects on the light output power in near ultraviolet light emitting diodes (NUV-LEDs) with the ODR. The light output power of NUV-LEDs with the triple-layer ODR structure increased with decreasing surface roughness of the sapphire backside in the ODR. Theoretical modeling of the roughened surface suggests that the dependence of the reflectance of the triple-layer ODR structure on the surface roughness can be attributed mainly to light absorption by the Al nano-structures and the trapping of scattered light in the MgF2 layer. Furthermore, the ray tracing simulation based upon the theoretical modeling showed good agreement with the measured reflectance of the ODR structure in diffuse mode. PMID:26010378

  11. Light interaction in sapphire/MgF2/Al triple-layer omnidirectional reflectors in AlGaN-based near ultraviolet light-emitting diodes.

    PubMed

    Lee, Keon Hwa; Moon, Yong-Tae; Song, June-O; Kwak, Joon Seop

    2015-05-26

    This study examined systematically the mechanism of light interaction in the sapphire/MgF2/Al triple-layer omnidirectional reflectors (ODR) and its effects on the light output power in near ultraviolet light emitting diodes (NUV-LEDs) with the ODR. The light output power of NUV-LEDs with the triple-layer ODR structure increased with decreasing surface roughness of the sapphire backside in the ODR. Theoretical modeling of the roughened surface suggests that the dependence of the reflectance of the triple-layer ODR structure on the surface roughness can be attributed mainly to light absorption by the Al nano-structures and the trapping of scattered light in the MgF2 layer. Furthermore, the ray tracing simulation based upon the theoretical modeling showed good agreement with the measured reflectance of the ODR structure in diffuse mode.

  12. Bonding in uranium(V) hexafluoride based on the experimental electron density distribution measured at 20 K

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gianopoulos, Christopher G.; Zhurov, Vladimir V.; Minasian, Stefan G.

    The electron density distribution of [PPh 4][UF 6] was obtained from high-resolution X-ray diffraction data measured at 20 K. The electron density was modeled with an augmented Hansen–Coppens multipolar formalism. Topological analysis reveals that the U–F bond is of incipient covalent nature. Theoretical calculations add further support to the bonding description gleaned from the experimental model. The impact of the uranium anomalous dispersion terms on the refinement is also discussed.

  13. Bonding in uranium(V) hexafluoride based on the experimental electron density distribution measured at 20 K

    DOE PAGES

    Gianopoulos, Christopher G.; Zhurov, Vladimir V.; Minasian, Stefan G.; ...

    2017-02-06

    The electron density distribution of [PPh 4][UF 6] was obtained from high-resolution X-ray diffraction data measured at 20 K. The electron density was modeled with an augmented Hansen–Coppens multipolar formalism. Topological analysis reveals that the U–F bond is of incipient covalent nature. Theoretical calculations add further support to the bonding description gleaned from the experimental model. The impact of the uranium anomalous dispersion terms on the refinement is also discussed.

  14. Multiconfiguration Pair-Density Functional Theory Is as Accurate as CASPT2 for Electronic Excitation.

    PubMed

    Hoyer, Chad E; Ghosh, Soumen; Truhlar, Donald G; Gagliardi, Laura

    2016-02-04

    A correct description of electronically excited states is critical to the interpretation of visible-ultraviolet spectra, photochemical reactions, and excited-state charge-transfer processes in chemical systems. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory and a new kind of density functional called an on-top density functional. Here, we show that MC-PDFT with a first-generation on-top density functional performs as well as CASPT2 for an organic chemistry database including valence, Rydberg, and charge-transfer excitations. The results are very encouraging for practical applications.

  15. A molecular Rayleigh scattering setup to measure density fluctuations in thermal boundary layers

    NASA Astrophysics Data System (ADS)

    Panda, J.

    2016-12-01

    A Rayleigh scattering-based density fluctuation measurement system was set up inside a low-speed wind tunnel of NASA Ames Research Center. The immediate goal was to study the thermal boundary layer on a heated flat plate. A large number of obstacles had to be overcome to set up the system, such as the removal of dust particles using air filters, the use of photoelectron counting electronics to measure low intensity light, an optical layout to minimize stray light contamination, the reduction in tunnel vibration, and an expanded calibration process to relate photoelectron arrival rate to air density close to the plate surface. To measure spectra of turbulent density fluctuations, a two-PMT cross-correlation system was used to minimize the shot noise floor. To validate the Rayleigh measurements, temperature fluctuations spectra were calculated from density spectra and then compared with temperature spectra measured with a cold-wire probe operated in constant current mode. The spectra from the downstream half of the plate were found to be in good agreement with cold-wire probe, whereas spectra from the leading edge differed. Various lessons learnt are discussed. It is believed that the present effort is the first measurement of density fluctuations spectra in a boundary layer flow.

  16. Analysis of the Electrical Properties of an Electron Injection Layer in Alq3-Based Organic Light Emitting Diodes.

    PubMed

    Kim, Soonkon; Choi, Pyungho; Kim, Sangsub; Park, Hyoungsun; Baek, Dohyun; Kim, Sangsoo; Choi, Byoungdeog

    2016-05-01

    We investigated the carrier transfer and luminescence characteristics of organic light emitting diodes (OLEDs) with structure ITO/HAT-CN/NPB/Alq3/Al, ITO/HAT-CN/NPB/Alq3/Liq/Al, and ITO/HAT-CN/NPB/Alq3/LiF/A. The performance of the OLED device is improved by inserting an electron injection layer (EIL), which induces lowering of the electron injection barrier. We also investigated the electrical transport behaviors of p-Si/Alq3/Al, p-Si/Alq3/Liq/Al, and p-Si/Alq3/LiF/Al Schottky diodes, by using current-voltage (L-V) and capacitance-voltage (C-V) characterization methods. The parameters of diode quality factor n and barrier height φ(b) were dependent on the interlayer materials between Alq3 and Al. The barrier heights φ(b) were 0.59, 0.49, and 0.45 eV, respectively, and the diode quality factors n were 1.34, 1.31, and 1.30, respectively, obtained from the I-V characteristics. The built in potentials V(bi) were 0.41, 0.42, and 0.42 eV, respectively, obtained from the C-V characteristics. In this experiment, Liq and LiF thin film layers improved the carrier transport behaviors by increasing electron injection from Al to Alq3, and the LiF schottky diode showed better I-V performance than the Liq schottky diode. We confirmed that a Liq or LiF thin film inter-layer governs electron and hole transport at the Al/Alq3 interface, and has an important role in determining the electrical properties of OLED devices.

  17. A first-principles study of electronic properties of H and F-terminated zigzag BNC nanoribbons

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Alaal, Naresh; Department of Physics, Indian Institute of Technology Bombay, Powai, Mumbai 400076, India.; Department of Materials Engineering, Monash University, Clayton, Victoria -3800, Australia.

    2016-05-06

    Nanoribbons are quasi one-dimensional structures which have interesting electronic properties on the basis of their edge geometries, and width. We studied the electronic properties of hydrogen and fluorine-terminated zigzag BNC nanoribbons (BNCNRs) using a first-principles based density functional theory approach. We considered BNCNRs that were composed of an equal number of C-C and B-N dimers; one of the edges ends with an N atom and opposite edge ends with a C atom. These two edge atoms are passivated by H or F atoms. Our results suggest that hydrogen-terminated BNCNRs (H-BNCNRs) and flourine-terminated BNCNRs (F-BNCNRs) have different electronic properties. H-BNCNRs exhibitmore » intrinsic half-metallic behavior while F-BNCNRs are indirect band gap semiconductors. Chemical functionalization of BNCNRs with H and F atoms show that BNCNRs have a diverse range of electronic properties.« less

  18. CARINA Satellite Mission to Investigate the Upper Atmosphere below the F-Layer Ionosphere

    NASA Astrophysics Data System (ADS)

    Siefring, C. L.; Bernhardt, P. A.; Briczinski, S. J., Jr.; Huba, J.; Montgomery, J. A., Jr.

    2017-12-01

    A new satellite design permits broad science measurements from the ocean to the ionosphere by flying below the F-Layer. The satellite called CARINA for Coastal-Ocean, Assimilation, Radio, Ionosphere, Neutral-Drag, and Atmospherics. The unique system capabilities are long duration orbits below the ionosphere and a HF receiver to measure broadband signals. The CARINA science products include recording the ocean surface properties, data for assimilation into global ionosphere models, radio wave propagation measurements, in-situ observations of ionospheric structures, validating neutral drag models and theory, and broadband atmospheric lightning characterization. CARINA will also measure nonlinear wave-generation using ionospheric modification sites in Alaska, Norway, Puerto Rico, and Russia and collaborate with geophysics HF radars (such as Super-DARN) for system calibration. CARINA is a linear 6-U CubeSat with a long antenna extended in the wake direction. The CARINA science mission is supported by three instruments. First, the Electric Field Instrument (EFI) is a radio receiver covering the 2 to 18 MHz range. The receiver can capture both narrow and wide bandwidths for up to 10 minutes. EFI is designed to provide HF signal strength and phase, radar Doppler shift and group delay, and electron plasma density from photoelectron excited plasma waves. Second a Ram Langmuir Probe (RLP) measures high-resolution ion currents at a 10 kHz rate. These measurements yield electron and ion density at the spacecraft. Finally, the Orbiting GPS Receiver (OGR) provides dual frequency GPS position with ionosphere correction. OGR also measures total electron content above the spacecraft and L-Band scintillations. CARINA will be the lowest satellite in orbit at 250 km altitude, <0.01 eccentricity, and up to 4-month lifetime. The design supports unique capabilities with broad applications to the geosciences. Remote sensing of the ocean will sample the HF signals scattered from the rough

  19. Strain and Structure Heterogeneity in MoS2 Atomic Layers Grown by Chemical Vapour Deposition

    DTIC Science & Technology

    2014-11-18

    substrate and material. To better explain the experimental results and estimate the strain transferred to MoS2 layer under such tensile tests, a 3D... ACS Nano 7, 7126 7131 (2013). 29. He, K., Poole, C., Mak, K. F. & Shan, J. Experimental demonstration of continuous electronic structure tuning via...transition as it is thinned down from multi layer to monolayer, producing a significant enhancement of photoluminescence (PL) quantum yield as a result of the

  20. Thickness-dependent electron mobility of single and few-layer MoS{sub 2} thin-film transistors

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kim, Ji Heon; Kim, Tae Ho; Lee, Hyunjea

    We investigated the dependence of electron mobility on the thickness of MoS{sub 2} nanosheets by fabricating bottom-gate single and few-layer MoS{sub 2} thin-film transistors with SiO{sub 2} gate dielectrics and Au electrodes. All the fabricated MoS{sub 2} transistors showed on/off-current ratio of ∼10{sup 7} and saturated output characteristics without high-k capping layers. As the MoS{sub 2} thickness increased from 1 to 6 layers, the field-effect mobility of the fabricated MoS{sub 2} transistors increased from ∼10 to ∼18 cm{sup 2}V{sup −1}s{sup −1}. The increased subthreshold swing of the fabricated transistors with MoS{sub 2} thickness suggests that the increase of MoS{sub 2}more » mobility with thickness may be related to the dependence of the contact resistance and the dielectric constant of MoS{sub 2} layer on its thickness.« less

  1. Efficient Yttrium(III) Chloride-Treated TiO2 Electron Transfer Layers for Performance-Improved and Hysteresis-Less Perovskite Solar Cells.

    PubMed

    Li, Minghua; Huan, Yahuan; Yan, Xiaoqin; Kang, Zhuo; Guo, Yan; Li, Yong; Liao, Xinqin; Zhang, Ruxiao; Zhang, Yue

    2018-01-10

    Hybrid organic-inorganic metal halide perovskite solar cells have attracted widespread attention, owing to their high performance, and have undergone rapid development. In perovskite solar cells, the charge transfer layer plays an important role for separating and transferring photogenerated carriers. In this work, an efficient YCl 3 -treated TiO 2 electron transfer layer (ETL) is used to fabricate perovskite solar cells with enhanced photovoltaic performance and less hysteresis. The YCl 3 -treated TiO 2 layers bring about an upward shift of the conduction band minimum (E CBM ), which results in a better energy level alignment for photogenerated electron transfer and extraction from the perovskite into the TiO 2 layer. After optimization, perovskite solar cells based on the YCl 3 -treated TiO 2 layers achieve a maximum power conversion efficiency of about 19.99 % (19.29 % at forward scan) and a steady-state power output of about 19.6 %. Steady-state and time-resolved photoluminescence measurements and impedance spectroscopy are carried out to investigate the charge transfer and recombination dynamics between the perovskite and the TiO 2 electron transfer layer interface. The improved perovskite/TiO 2 ETL interface with YCl 3 treatment is found to separate and extract photogenerated charge rapidly and suppress recombination effectively, which leads to the improved performance. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Ultra-thin silicon oxide layers on crystalline silicon wafers: Comparison of advanced oxidation techniques with respect to chemically abrupt SiO2/Si interfaces with low defect densities

    NASA Astrophysics Data System (ADS)

    Stegemann, Bert; Gad, Karim M.; Balamou, Patrice; Sixtensson, Daniel; Vössing, Daniel; Kasemann, Martin; Angermann, Heike

    2017-02-01

    Six advanced oxidation techniques were analyzed, evaluated and compared with respect to the preparation of high-quality ultra-thin oxide layers on crystalline silicon. The resulting electronic and chemical SiO2/Si interface properties were determined by a combined x-ray photoemission (XPS) and surface photovoltage (SPV) investigation. Depending on the oxidation technique, chemically abrupt SiO2/Si interfaces with low densities of interface states were fabricated on c-Si either at low temperatures, at short times, or in wet-chemical environment, resulting in each case in excellent interface passivation. Moreover, the beneficial effect of a subsequent forming gas annealing (FGA) step for the passivation of the SiO2/Si interface of ultra-thin oxide layers has been proven. Chemically abrupt SiO2/Si interfaces have been shown to generate less interface defect states.

  3. Single-ion 4f element magnetism: an ab-initio look at Ln(COT)2(-).

    PubMed

    Gendron, Frédéric; Pritchard, Benjamin; Bolvin, Hélène; Autschbach, Jochen

    2015-12-14

    The electron densities associated with the Ln 4f shell, and spin and orbital magnetizations ('magnetic moment densities'), are investigated for the Ln(COT)2(-) series. The densities are obtained from ab-initio calculations including spin-orbit coupling. For Ln = Ce, Pr the magnetizations are also derived from crystal field models and shown to agree with the ab-initio results. Analysis of magnetizations from ab-initio calculations may be useful in assisting research on single molecule magnets.

  4. New global electron density observations from GPS-RO in the D- and E-Region ionosphere

    NASA Astrophysics Data System (ADS)

    Wu, Dong L.

    2018-06-01

    A novel retrieval technique is developed for electron density (Ne) in the D- and E-region (80-120 km) using the high-quality 50-Hz GPS radio occultation (GPS-RO) phase measurements. The new algorithm assumes a slow, linear variation in the F-region background when the GPS-RO passes through the D- and E-region, and extracts the Ne profiles at 80-130 km from the phase advance signal caused by Ne. Unlike the conventional Abel function, the new approach produces a sharp Ne weighting function in the lower ionosphere, and the Ne retrievals are in good agreement with the IRI (International Reference Ionosphere) model in terms of monthly maps, zonal means and diurnal variations. The daytime GPS-RO Ne profiles can be well characterized by the α-Chapman function of three parameters (NmE, hmE and H), showing that the bottom of E-region is deepening and sharpening towards the summer pole. At high latitudes the monthly GPS-RO Ne maps at 80-120 km reveal clear enhancement in the auroral zones, more prominent at night, as a result of energetic electron precipitation (EEP) from the outer radiation belt. The D-/E-region auroral Ne is strongly correlated with Kp on a daily basis. The new Ne data allow further comprehensive analyses of the sporadic E (Es) phenomena in connection with the background Ne in the E-region. The layered (2-10 km) and fluctuated (<2 km) Es components, namely Ne_Layer than Ne_Pert, are extracted with respect to the background Ne_Region on a profile-by-profile basis. The Ne_Layer component has a strong but highly-refined peak at ∼105 km, with an amplitude smaller than Ne_Region approximately by an order of magnitude. The Ne_Pert component, which was studied extensively in the past, is ∼2 orders of magnitude weaker than Ne_Layer. Both Ne_Layer and Ne_Pert are subject to significant diurnal and semidiurnal variations, showing downward progression with local time in amplitude. The 11-year solar cycle dominates the Ne interannual variations, showing larger Ne

  5. Method for making high-critical-current-density YBa.sub.2 Cu.sub.3 O.sub.7 superconducting layers on metallic substrates

    DOEpatents

    Feenstra, Roeland; Christen, David; Paranthaman, Mariappan

    1999-01-01

    A method is disclosed for fabricating YBa.sub.2 Cu.sub.3 O.sub.7 superconductor layers with the capability of carrying large superconducting currents on a metallic tape (substrate) supplied with a biaxially textured oxide buffer layer. The method represents a simplification of previously established techniques and provides processing requirements compatible with scale-up to long wire (tape) lengths and high processing speeds. This simplification has been realized by employing the BaF.sub.2 method to grow a YBa.sub.2 Cu.sub.3 O.sub.7 film on a metallic substrate having a biaxially textured oxide buffer layer.

  6. Molecular charge distribution and dispersion of electronic states in the contact layer between pentacene and Cu(119) and beyond

    NASA Astrophysics Data System (ADS)

    Annese, E.; Fujii, J.; Baldacchini, C.; Zhou, B.; Viol, C. E.; Vobornik, I.; Betti, M. G.; Rossi, G.

    2008-05-01

    The interaction of pentacene molecules in contact with the Cu(119) stepped surface has been directly imaged by scanning tunneling microscopy and analyzed by angle resolved photoemission spectroscopy. Interacting molecules, which are in contact with copper, generate dispersive electronic states associated with a perturbed electron charge density distribution of the molecular orbitals. In contrast, the electron charge density of molecules of the pentacene on top of the first layer, which is not in direct contact with the Cu surface, shows an intramolecular structure very similar to that of the free molecule. Our results indicate that the delocalization of the molecular states in the pentacene/Cu system is confined to the very first molecular layer at the interface.

  7. Small-scale plasma turbulence and intermittency in the high latitude F region based on the ICI-2 sounding rocket experiment

    NASA Astrophysics Data System (ADS)

    Spicher, A.; Miloch, W.; Moen, J. I.; Clausen, L. B. N.

    2015-12-01

    Small-scale plasma irregularities and turbulence are common phenomena in the F layer of the ionosphere, both in the equatorial and polar regions. A common approach in analyzing data from experiments on space and ionospheric plasma irregularities are power spectra. Power spectra give no information about the phases of the waveforms, and thus do not allow to determine whether some of the phases are correlated or whether they exhibit a random character. The former case would imply the presence of nonlinear wave-wave interactions, while the latter suggests a more turbulent-like process. Discerning between these mechanisms is crucial for understanding high latitude plasma irregularities and can be addressed with bispectral analysis and higher order statistics. In this study, we use higher order spectra and statistics to analyze electron density data observed with the ICI-2 sounding rocket experiment at a meter-scale resolution. The main objective of ICI-2 was to investigate plasma irregularities in the cusp in the F layer ionosphere. We study in detail two regions intersected during the rocket flight and which are characterized by large density fluctuations: a trailing edge of a cold polar cap patch, and a density enhancement subject to cusp auroral particle precipitation. While these two regions exhibit similar power spectra, our analysis reveals that their internal structure is different. The structures on the edge of the polar cap patch are characterized by significant coherent mode coupling and intermittency, while the plasma enhancement associated with precipitation exhibits stronger random characteristics. This indicates that particle precipitation may play a fundamental role in ionospheric plasma structuring by creating turbulent-like structures.

  8. Self-organization of dislocation-free, high-density, vertically aligned GaN nanocolumns involving InGaN quantum wells on graphene/SiO2 covered with a thin AlN buffer layer.

    PubMed

    Hayashi, Hiroaki; Konno, Yuta; Kishino, Katsumi

    2016-02-05

    We demonstrated the self-organization of high-density GaN nanocolumns on multilayer graphene (MLG)/SiO2 covered with a thin AlN buffer layer by RF-plasma-assisted molecular beam epitaxy. MLG/SiO2 substrates were prepared by the transfer of CVD graphene onto thermally oxidized SiO2/Si [100] substrates. Employing the MLG with an AlN buffer layer enabled the self-organization of high-density and vertically aligned nanocolumns. Transmission electron microscopy observation revealed that no threading dislocations, stacking faults, or twinning defects were included in the self-organized nanocolumns. The photoluminescence (PL) peak intensities of the self-organized GaN nanocolumns were 2.0-2.6 times higher than those of a GaN substrate grown by hydride vapor phase epitaxy. Moreover, no yellow luminescence or ZB-phase GaN emission was observed from the nanocolumns. An InGaN/GaN MQW and p-type GaN were integrated into GaN nanocolumns grown on MLG, displaying a single-peak PL emission at a wavelength of 533 nm. Thus, high-density nitride p-i-n nanocolumns were fabricated on SiO2/Si using the transferred MLG interlayer, indicating the possibility of developing visible nanocolumn LEDs on graphene/SiO2.

  9. Theoretical calculation of electron-positron momentum density in YBa 2Cu 3O 7-δ

    NASA Astrophysics Data System (ADS)

    Massidda, S.

    1990-07-01

    We present calculations of the electron-positron momentum density for the high- Tc superconductor YBa 2Cu 3O 7-δ for δ=0 and for the insulating parent compound YBa 2Cu 3O 6, based on first-principle electronic structure calculations performed within the local density approximation (LDA) using the full potential linearized augmented plane wave (FLAPW) method. Our results indicate a small overlap of the positron wave function with the CuO 2 plane electrons and, as a consequence, relatively small signals due to the related Fermi surfaces. By contrast, the present calculations show, after the folding of Umklapp terms according to Lock, Crisp and West, clear Fermi surface breaks arising from the Cu-O chain bands. No general agreement with existing experiments allows a clear definition of Fermi surface structures in the latter. A comparison of the calculated momentum with the experimental two-dimensional angular correlation of annihilation radiation (2D-ACAR) recently measured in Geneva shows an overall agreement for the insulating compound, despite the spurious LDA metallic state, and possibly suggests the importance of O vacancies in experiments performed on non-stoichiometric YBa 2Cu 3O 7-δ samples.

  10. Investigation of anodic TiO2 nanotube composition with high spatial resolution AES and ToF SIMS

    NASA Astrophysics Data System (ADS)

    Dronov, Alexey; Gavrilin, Ilya; Kirilenko, Elena; Dronova, Daria; Gavrilov, Sergey

    2018-03-01

    High resolution Scanning Auger Electron Spectroscopy (AES) and Time-of-Flight Secondary Ion Mass-Spectrometry (ToF SIMS) were used to investigate structure and elemental composition variation of both across an array of TiO2 nanotubes (NTs) and single tube of an array. The TiO2 NT array was grown by anodic oxidation of Ti foil in fluorine-containing ethylene glycol electrolyte. It was found that the studied anodic TiO2 nanotubes have a layered structure with rather sharp interfaces. The differences in AES depth profiling results of a single tube with the focused primary electron beam (point analysis) and over an area of 75 μm in diameter of a nanotube array with the defocused primary electron beam are discussed. Depth profiling by ToF SIMS was carried out over approximately the same size of a nanotube array to determine possible ionic fragments in the structure. The analysis results show that the combination of both mentioned methods is useful for a detailed analysis of nanostructures with complex morphology and multi-layered nature.

  11. Density-Gradient-Driven trapped-electron-modes in improved-confinement RFP plasmas

    NASA Astrophysics Data System (ADS)

    Duff, James; Sarff, John; Ding, Weixing; Brower, David; Parke, Eli; Chapman, Brett; Terry, Paul; Pueschel, M. J.; Williams, Zach

    2017-10-01

    Short wavelength density fluctuations in improved-confinement MST plasmas exhibit multiple features characteristic of the trapped-electron-mode (TEM). Core transport in the RFP is normally governed by magnetic stochasticity stemming from long wavelength tearing modes that arise from current profile peaking, which are suppressed via inductive control for this work. The improved confinement is associated with an increase in the pressure gradient that can destabilize drift waves. The measured density fluctuations have f 50 kHz, kϕρs < 0.14 , and propagate in the electron drift direction. Their spectral emergence coincides with a sharp decrease in global tearing mode associated fluctuations, their amplitude increases with local density gradient, and they exhibit a density-gradient threshold at R /Ln 15 . The GENE code, modified for the RFP, predicts the onset of density-gradient-driven TEM for these strong-gradient plasma conditions. While nonlinear analysis shows a large Dimits shift associated with predicted strong zonal flows, the inclusion of residual magnetic fluctuations, comparable to experimental magnetic fluctuations, causes a collapse of the zonal flows and an increase in the predicted transport to a level close to the experimentally measured heat flux. Work supported by US DOE.

  12. Al{sub 2}O{sub 3}/GeO{sub x}/Ge gate stacks with low interface trap density fabricated by electron cyclotron resonance plasma postoxidation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhang, R.; Iwasaki, T.; Taoka, N.

    2011-03-14

    An electron cyclotron resonance (ECR) plasma postoxidation method has been employed for forming Al{sub 2}O{sub 3}/GeO{sub x}/Ge metal-oxide-semiconductor (MOS) structures. X-ray photoelectron spectroscopy and transmission electron microscope characterizations have revealed that a GeO{sub x} layer is formed beneath the Al{sub 2}O{sub 3} capping layer by exposing the Al{sub 2}O{sub 3}/Ge structures to ECR oxygen plasma. The interface trap density (D{sub it}) of Au/Al{sub 2}O{sub 3}/GeO{sub x}/Ge MOS capacitors is found to be significantly suppressed down to lower than 10{sup 11} cm{sup -2} eV{sup -1}. Especially, a plasma postoxidation time of as short as 10 s is sufficient to reduce D{submore » it} with maintaining the equivalent oxide thickness (EOT). As a result, the minimum D{sub it} values and EOT of 5x10{sup 10} cm{sup -2} eV{sup -1} and 1.67 nm, and 6x10{sup 10} cm{sup -2} eV{sup -1} and 1.83 nm have been realized for Al{sub 2}O{sub 3}/GeO{sub x}/Ge MOS structures with p- and n-type substrates, respectively.« less

  13. Saturn's ionosphere - Inferred electron densities

    NASA Technical Reports Server (NTRS)

    Kaiser, M. L.; Desch, M. D.; Connerney, J. E. P.

    1984-01-01

    During the two Voyager encounters with Saturn, radio bursts were detected which appear to have originated from atmospheric lightning storms. Although these bursts generally extended over frequencies from as low as 100 kHz to the upper detection limit of the instrument, 40 MHz, they often exhibited a sharp but variable low frequency cutoff below which bursts were not detected. We interpret the variable low-frequency extent of these bursts to be due to the reflection of the radio waves as they propagate through an ionosphere which varies with local time. We obtain estimates of electron densities at a variety of latitude and local time locations. These compare well with the dawn and dusk densities measured by the Pioneer 11 Voyager Radio Science investigations, and with model predictions for dayside densities. However, we infer a two-order-of-magnitude diurnal variation of electron density, which had not been anticipated by theoretical models of Saturn's ionosphere, and an equally dramatic extinction of ionospheric electron density by Saturn's rings. Previously announced in STAR as N84-17102

  14. Tunable one-dimensional electron gas carrier densities at nanostructured oxide interfaces

    DOE PAGES

    Zhang, Lipeng; Xu, Haixuan; Kent, Paul R. C.; ...

    2016-05-06

    The emergence of two-dimensional metallic states at the LaAlO 3/SrTiO 3 (LAO/STO) heterostructure interface is known to occur at a critical thickness of four LAO over layers. This insulator-to-metal transition can be explained through the polar catastrophe mechanism arising from the divergence of the electrostatic potential at the LAO surface. Here, we demonstrate that nanostructuring can be effective in reducing or eliminating this critical thickness. Employing a modified polar catastrophe" model, we demonstrate that the nanowire heterostructure electrostatic potential diverges more rapidly as a function of layer thickness than in a regular heterostructure. Our first principles calculations indicate that formore » nanowire heterostructure geometries a one-dimensional electron gas (1DEG) can be induced, consistent with recent experimental observations of 1D conductivity in LAO/STO steps. Similar to LAO/STO 2DEGs, we predict that the 1D charge density will decay laterally within a few unit cells away from the nanowire; thus providing a mechanism for tuning the carrier behavior between 1D and 2D conductivity. Furthermore, our work provides insight into the creation and manipulation of charge density at an oxide heterostructure interface and therefore may be beneficial for future nanoelectronic devices and for the engineering of novel quantum phases.« less

  15. Dislocation blocking by AlGaN hot electron injecting layer in the epitaxial growth of GaN terahertz Gunn diode

    NASA Astrophysics Data System (ADS)

    Li, Liang; Yang, Lin'an; Zhang, Jincheng; Hao, Yue

    2013-09-01

    This paper reports an efficient method to improve the crystal quality of GaN Gunn diode with AlGaN hot electron injecting layer (HEI). An evident reduction of screw dislocation and edge dislocation densities is achieved by the strain management and the enhanced lateral growth in high temperature grown AlGaN HEI layer. Compared with the top hot electron injecting layer (THEI) structure, the bottom hot electron injecting layer (BHEI) structure enhances the crystal quality of transit region due to the growth sequence modulation of HEI layer. A high Hall mobility of 2934 cm2/Vs at 77 K, a nearly flat downtrend of Hall mobility at the temperature ranging from 300 to 573 K, a low intensity of ratio of yellow luminescence band to band edge emission, a narrow band edge emission line-width, and a smooth surface morphology are observed for the BHEI structural epitaxy of Gunn diode, which indicates that AlGaN BHEI structure is a promising candidate for fabrication of GaN Gunn diodes in terahertz regime.

  16. Dependences of the density of M 1- x R x F2 + x and R 1- y M y F3- y single crystals ( M = Ca, Sr, Ba, Cd, Pb; R means rare earth elements) on composition

    NASA Astrophysics Data System (ADS)

    Sorokin, N. I.; Krivandina, E. A.; Zhmurova, Z. I.

    2013-11-01

    The density of single crystals of nonstoichiometric phases Ba1 - x La x F2 + x (0 ≤ x ≤ 0.5) and Sr0.8La0.2 - x Lu x F2.2 (0 ≤ x ≤ 0.2) with the fluorite (CaF2) structure type and R 1 - y Sr y F3 - y ( R = Pr, Nd; 0 ≤ y ≤ 0.15) with the tysonite (LaF3) structure type has been measured. Single crystals were grown from a melt by the Bridgman method. The measured concentration dependences of single crystal density are linear. The interstitial and vacancy models of defect formation in the fluorite and tysonite phases, respectively, are confirmed. To implement the composition control of single crystals of superionic conductors M 1 - x R x F2 + x and R 1 - y M y F3 - y in practice, calibration graphs of X-ray density in the MF2- RF3 systems ( M = Ca, Sr, Ba, Cd, Pb; R = La-Lu, Y) are plotted.

  17. Electron paramagnetic resonance g-tensors from state interaction spin-orbit coupling density matrix renormalization group

    NASA Astrophysics Data System (ADS)

    Sayfutyarova, Elvira R.; Chan, Garnet Kin-Lic

    2018-05-01

    We present a state interaction spin-orbit coupling method to calculate electron paramagnetic resonance g-tensors from density matrix renormalization group wavefunctions. We apply the technique to compute g-tensors for the TiF3 and CuCl42 - complexes, a [2Fe-2S] model of the active center of ferredoxins, and a Mn4CaO5 model of the S2 state of the oxygen evolving complex. These calculations raise the prospects of determining g-tensors in multireference calculations with a large number of open shells.

  18. Assigning crystallographic electron densities with free energy calculations—The case of the fluoride channel Fluc

    PubMed Central

    2018-01-01

    Approximately 90% of the structures in the Protein Data Bank (PDB) were obtained by X-ray crystallography or electron microscopy. Whereas the overall quality of structure is considered high, thanks to a wide range of tools for structure validation, uncertainties may arise from density maps of small molecules, such as organic ligands, ions or water, which are non-covalently bound to the biomolecules. Even with some experience and chemical intuition, the assignment of such disconnected electron densities is often far from obvious. In this study, we suggest the use of molecular dynamics (MD) simulations and free energy calculations, which are well-established computational methods, to aid in the assignment of ambiguous disconnected electron densities. Specifically, estimates of (i) relative binding affinities, for instance between an ion and water, (ii) absolute binding free energies, i.e., free energies for transferring a solute from bulk solvent to a binding site, and (iii) stability assessments during equilibrium simulations may reveal the most plausible assignments. We illustrate this strategy using the crystal structure of the fluoride specific channel (Fluc), which contains five disconnected electron densities previously interpreted as four fluoride and one sodium ion. The simulations support the assignment of the sodium ion. In contrast, calculations of relative and absolute binding free energies as well as stability assessments during free MD simulations suggest that four of the densities represent water molecules instead of fluoride. The assignment of water is compatible with the loss of these densities in the non-conductive F82I/F85I mutant of Fluc. We critically discuss the role of the ion force fields for the calculations presented here. Overall, these findings indicate that MD simulations and free energy calculations are helpful tools for modeling water and ions into crystallographic density maps. PMID:29771936

  19. Electron mobility in the inversion layers of fully depleted SOI films

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zaitseva, E. G., E-mail: ZaytsevaElza@yandex.ru; Naumova, O. V.; Fomin, B. I.

    The dependences of the electron mobility μ{sub eff} in the inversion layers of fully depleted double–gate silicon-on-insulator (SOI) metal–oxide–semiconductor (MOS) transistors on the density N{sub e} of induced charge carriers and temperature T are investigated at different states of the SOI film (inversion–accumulation) from the side of one of the gates. It is shown that at a high density of induced charge carriers of N{sub e} > 6 × 10{sup 12} cm{sup –2} the μeff(T) dependences allow the components of mobility μ{sub eff} that are related to scattering at surface phonons and from the film/insulator surface roughness to be distinguished.more » The μ{sub eff}(N{sub e}) dependences can be approximated by the power functions μ{sub eff}(N{sub e}) ∝ N{sub e}{sup −n}. The exponents n in the dependences and the dominant mechanisms of scattering of electrons induced near the interface between the SOI film and buried oxide are determined for different N{sub e} ranges and film states from the surface side.« less

  20. p-wave triggered superconductivity in single-layer graphene on an electron-doped oxide superconductor.

    PubMed

    Di Bernardo, A; Millo, O; Barbone, M; Alpern, H; Kalcheim, Y; Sassi, U; Ott, A K; De Fazio, D; Yoon, D; Amado, M; Ferrari, A C; Linder, J; Robinson, J W A

    2017-01-19

    Electron pairing in the vast majority of superconductors follows the Bardeen-Cooper-Schrieffer theory of superconductivity, which describes the condensation of electrons into pairs with antiparallel spins in a singlet state with an s-wave symmetry. Unconventional superconductivity was predicted in single-layer graphene (SLG), with the electrons pairing with a p-wave or chiral d-wave symmetry, depending on the position of the Fermi energy with respect to the Dirac point. By placing SLG on an electron-doped (non-chiral) d-wave superconductor and performing local scanning tunnelling microscopy and spectroscopy, here we show evidence for a p-wave triggered superconducting density of states in SLG. The realization of unconventional superconductivity in SLG offers an exciting new route for the development of p-wave superconductivity using two-dimensional materials with transition temperatures above 4.2 K.

  1. p-wave triggered superconductivity in single-layer graphene on an electron-doped oxide superconductor

    PubMed Central

    Di Bernardo, A.; Millo, O.; Barbone, M.; Alpern, H.; Kalcheim, Y.; Sassi, U.; Ott, A. K.; De Fazio, D.; Yoon, D.; Amado, M.; Ferrari, A. C.; Linder, J.; Robinson, J. W. A.

    2017-01-01

    Electron pairing in the vast majority of superconductors follows the Bardeen–Cooper–Schrieffer theory of superconductivity, which describes the condensation of electrons into pairs with antiparallel spins in a singlet state with an s-wave symmetry. Unconventional superconductivity was predicted in single-layer graphene (SLG), with the electrons pairing with a p-wave or chiral d-wave symmetry, depending on the position of the Fermi energy with respect to the Dirac point. By placing SLG on an electron-doped (non-chiral) d-wave superconductor and performing local scanning tunnelling microscopy and spectroscopy, here we show evidence for a p-wave triggered superconducting density of states in SLG. The realization of unconventional superconductivity in SLG offers an exciting new route for the development of p-wave superconductivity using two-dimensional materials with transition temperatures above 4.2 K. PMID:28102222

  2. Development of far infrared attenuation to measure electron densities in cw pin discharge lasers

    NASA Technical Reports Server (NTRS)

    Babcock, R. V.

    1977-01-01

    A two beam attenuation technique was devised to measure electron densities 10 to the 9th power to 10 to the 11th power cm/3 resolved to 1 cm, in a near atmospheric COFFEE laser discharge, using 496 micrometer and 1,220 micrometer radiations from CH3F, optically pumped by a CO2 laser. A far infrared generator was developed which was suitable except for a periodic intensity variation in FIR output deriving from frequency variation of the pump radiation.

  3. A Robust High Current Density Electron Gun

    NASA Astrophysics Data System (ADS)

    Mako, F.; Peter, W.; Shiloh, J.; Len, L. K.

    1996-11-01

    Proof-of-principle experiments are proposed to validate a new concept for a robust, high-current density Pierce electron gun (RPG) for use in klystrons and high brightness electron sources for accelerators. This rugged, long-life electron gun avoids the difficulties associated with plasma cathodes, thermionic emitters, and field emission cathodes. The RPG concept employs the emission of secondary electrons in a transmission mode as opposed to the conventional mode of reflection, i.e., electrons exit from the back face of a thin negative electron affinity (NEA) material, and in the same direction as the incident beam. Current amplification through one stage of a NEA material could be over 50 times. The amplification is accomplished in one or more stages consisting of one primary emitter and one or more secondary emitters. The primary emitter is a low current density robust emitter (e.g., thoriated tungsten). The secondary emitters are thin NEA electrodes which emit secondary electrons in the same direction as the incident beam. Specific application is targeted for a klystron gun to be used by SLAC with a cold cathode at 30-40 amps/cm^2 output from the secondary emission stage, a ~2 μs pulse length, and ~200 pulses/second.

  4. Density Functional Theory Calculations Revealing Metal-like Band Structures for Ultrathin Ge {111} and {211} Surface Layers.

    PubMed

    Tan, Chih-Shan; Huang, Michael Hsuan-Yi

    2018-05-21

    To find out if germanium should also possess facet-dependent electrical conductivity properties, surface state density functional theory (DFT) calculations were performed on 1-6 layers of Ge (100), (110), (111), and (211) planes. Tunable Ge (100) and (110) planes always present the same semiconducting band structure with a band gap of 0.67 eV expected of bulk germanium. In contrast, 1, 2, 4, and 5 layers of Ge (111) and (211) plane models show metal-like band structures with continuous density of states (DOS) throughout the entire band. For 3 and 6 layers of Ge (111) and (211) plane models, the normal semiconducting band structure was obtained. The plane layers with metal-like band structures also show Ge-Ge bond length deviations and bond distortions, as well as significantly different 4s and 4p frontier orbital electron count and their relative percentages integrated over the valence and conduction bands from those of the semiconducting state. These differences should contribute to strikingly dissimilar band structures. The calculation results suggest observation of facet-dependent electrical conductivity properties of germanium materials, and transistors made of germanium may also need to consider the facet effects with shrinking dimensions approaching 3 nm. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Multi-layered nanocomposite dielectrics for high density organic memory devices

    NASA Astrophysics Data System (ADS)

    Kang, Moonyeong; Chung, Kyungwha; Baeg, Kang-Jun; Kim, Dong Ha; Kim, Choongik

    2015-01-01

    We fabricated organic memory devices with metal-pentacene-insulator-silicon structure which contain double dielectric layers comprising 3D pattern of Au nanoparticles (Au NPs) and block copolymer (PS-b-P2VP). The role of Au NPs is to charge/discharge carriers upon applied voltage, while block copolymer helps to form highly ordered Au NP patterns in the dielectric layer. Double-layered nanocomposite dielectrics enhanced the charge trap density (i.e., trapped charge per unit area) by Au NPs, resulting in increase of the memory window (ΔVth).

  6. Electron density modulation of NiCo2S4 nanowires by nitrogen incorporation for highly efficient hydrogen evolution catalysis.

    PubMed

    Wu, Yishang; Liu, Xiaojing; Han, Dongdong; Song, Xianyin; Shi, Lei; Song, Yao; Niu, Shuwen; Xie, Yufang; Cai, Jinyan; Wu, Shaoyang; Kang, Jian; Zhou, Jianbin; Chen, Zhiyan; Zheng, Xusheng; Xiao, Xiangheng; Wang, Gongming

    2018-04-12

    Metal sulfides for hydrogen evolution catalysis typically suffer from unfavorable hydrogen desorption properties due to the strong interaction between the adsorbed H and the intensely electronegative sulfur. Here, we demonstrate a general strategy to improve the hydrogen evolution catalysis of metal sulfides by modulating the surface electron densities. The N modulated NiCo 2 S 4 nanowire arrays exhibit an overpotential of 41 mV at 10 mA cm -2 and a Tafel slope of 37 mV dec -1 , which are very close to the performance of the benchmark Pt/C in alkaline condition. X-ray photoelectron spectroscopy, synchrotron-based X-ray absorption spectroscopy, and density functional theory studies consistently confirm the surface electron densities of NiCo 2 S 4 have been effectively manipulated by N doping. The capability to modulate the electron densities of the catalytic sites could provide valuable insights for the rational design of highly efficient catalysts for hydrogen evolution and beyond.

  7. Electron temperature differences and double layers

    NASA Technical Reports Server (NTRS)

    Chan, C.; Hershkowitz, N.; Lonngren, K. E.

    1983-01-01

    Electron temperature differences across plasma double layers are studied experimentally. It is shown that the temperature differences across a double layer can be varied and are not a result of thermalization of the bump-on-tail distribution. The implications of these results for electron thermal energy transport in laser-pellet and tandem-mirror experiments are also discussed.

  8. Synthesis, properties and applications of 2D layered MIIIXVI (M = Ga, In; X = S, Se, Te) materials.

    PubMed

    Xu, Kai; Yin, Lei; Huang, Yun; Shifa, Tofik Ahmed; Chu, Junwei; Wang, Feng; Cheng, Ruiqing; Wang, Zhenxing; He, Jun

    2016-09-29

    Group III-VI compounds M III X VI (M = Ga, In; X = S, Se, Te) are one class of important 2D layered materials and are currently attracting increasing interest due to their unique electronic and optoelectronic properties and their great potential applications in various other fields. Similar to 2D layered transition metal dichalcogenides (TMDs), M III X VI also have the significant merits of ultrathin thickness, ultrahigh surface-to-volume ratio, and high compatibility with flexible devices. More impressively, in contrast with TMDCs, M III X VI demonstrate many superior properties, such as direct band gap electronic structure, high carrier mobility, rare p-type electronic behaviors, high charge density, and so on. These unique characteristics cause high-performance device applications in electronics, optoelectronics, and optics. In this review, we aim to provide a summary of the state-of-the-art of research activities in 2D layered M III X VI materials. The scope of the review covers the synthesis and properties of 2D layered M III X VI materials and their van der Waals heterostructures. We especially focus on the applications in electronics and optoelectronics. Moreover, the review concludes with some perspectives on future developments in this field.

  9. In-Situ F2-Region Plasma Density and Temperature Measurements from the International Space Station

    NASA Technical Reports Server (NTRS)

    Coffey, Victoria; Wright, Kenneth; Minow, Joseph

    2008-01-01

    The International Space Station orbit provides an ideal platform for in-situ studies of space weather effects on the mid and low latitude F-2 region ionosphere. The Floating Potential Measurement Unit (FPMU) operating on the ISS since Aug 2006. is a suite of plasma instruments: a Floating Potential Probe (FPP), a Plasma Impedance Probe (PIP), a Wide-sweep langmuir Probe (WLP), and a Narrow-sweep Langmuir Probe (NLP). This instrument package provides a new opportunity lor collaborative multi-instrument studies of the F-region ionosphere during both quiet and disturbed periods. This presentation first describes the operational parameters for each of the FPMU probes and shOWS examples of an intra-instrument validation. We then show comparisons with the plasma density and temperature measurements derived from the TIMED GUVI ultraviolet imager, the Millstone Hill ground based incoherent scatter radar, and DIAS digisondes, Finally we show one of several observations of night-time equatorial density holes demonstrating the capabilities of the probes lor monitoring mid and low latitude plasma processes.

  10. Equatorial dynamics in a 2 {1}/{2}- layer model

    NASA Astrophysics Data System (ADS)

    McCreary, Julian P.; Yu, Zuojun

    A nonlinear, 2 {1}/{2}- layer model is used to study the dynamics of wind-driven equatorial ocean circulation, including the generation of mean flows and instabilities. The model allows water to entrain into, and detrain from, the upper layer, and as a consequence the temperatures of the two active layers can vary. The model ocean basin is rectangular, extends 100° zonally, and for most solutions has open boundaries at 15°S and 15°N. All solutions are forced by a switched-on wind field that is an idealized version of the Pacific trades: the wind is westward, uniform in the meridional direction (so it has no curl), located primarily in the central and eastern oceans, and in most cases it has an amplitude of 0.5 dyn cm -2. For reasonable choices of parameters, solutions adjust to have a realistic equatorial circulation with a westward surface jet, an eastward undercurrent, and with upwelling and cool sea surface temperature in the eastern ocean. Most of the meridional circulation (81% of the transport) is part of a closed tropical circulation cell, in which water upwells in the eastern, equatorial ocean and downwells elsewhere in the basin; the rest participates in a mid-latitude circulation cell with lower-layer water entering the basin and upper-layer water leaving it through the open boundaries. Three basic types of unstable disturbances are generated in the eastern ocean: two of them are antisymmetric about the equator, one being surface-trapped with a period of about 21 days (f 1), and the other predominantly a lower-layer oscillation with periods ranging from 35 to 53 days (f 2) that causes the undercurrent to meander; the third is symmetric with a period of about 28 days (f 0) and a structure like that of a first-meridional-mode Rossby wave. The amplitudes of the disturbances are sensitive to model parameters, and as parameter values are varied systematically solutions appear to follow variations of the quasi-periodic route to turbulence, one of the common

  11. Structural, optical and compositional stability of MoS2 multi-layer flakes under high dose electron beam irradiation

    NASA Astrophysics Data System (ADS)

    Rotunno, E.; Fabbri, F.; Cinquanta, E.; Kaplan, D.; Longo, M.; Lazzarini, L.; Molle, A.; Swaminathan, V.; Salviati, G.

    2016-06-01

    MoS2 multi-layer flakes, exfoliated from geological molybdenite, have been exposed to high dose electron irradiation showing clear evidence of crystal lattice and stoichiometry modifications. A massive surface sulfur depletion is induced together with the consequent formation of molybdenum nanoislands. It is found that a nanometric amorphous carbon layer, unwillingly deposited during the transmission electron microscope experiments, prevents the formation of the nanoislands. In the absence of the carbon layer, the formation of molybdenum grains proceeds both on the top and bottom surfaces of the flake. If carbon is present on both the surfaces then the formation of Mo grains is completely prevented.

  12. Productivity correlated to photobiochemical performance of Chlorella mass cultures grown outdoors in thin-layer cascades.

    PubMed

    Masojídek, Jiří; Kopecký, Jiří; Giannelli, Luca; Torzillo, Giuseppe

    2011-02-01

    This work aims to: (1) correlate photochemical activity and productivity, (2) characterize the flow pattern of culture layers and (3) determine a range of biomass densities for high productivity of the freshwater microalga Chlorella spp., grown outdoors in thin-layer cascade units. Biomass density, irradiance inside culture, pigment content and productivity were measured in the microalgae cultures. Chlorophyll-fluorescence quenching was monitored in situ (using saturation-pulse method) to estimate photochemical activities. Photobiochemical activities and growth parameters were studied in cultures of biomass density between 1 and 47 g L(-1). Fluorescence measurements showed that diluted cultures (1-2 g DW L(-1)) experienced significant photostress due to inhibition of electron transport in the PSII complex. The highest photochemical activities were achieved in cultures of 6.5-12.5 g DW L(-1), which gave a maximum daylight productivity of up to 55 g dry biomass m(-2) day(-1). A midday depression of maximum PSII photochemical yield (F (v)/F (m)) of 20-30% compared with morning values in these cultures proved to be compatible with well-performing cultures. Lower or higher depression of F (v)/F (m) indicated low-light acclimated or photo-inhibited cultures, respectively. A hydrodynamic model of the culture demonstrated highly turbulent flow allowing rapid light/dark cycles (with frequency of 0.5 s(-1)) which possibly match the turnover of the photosynthetic apparatus. These results are important from a biotechnological point of view for optimisation of growth of outdoor microalgae mass cultures under various climatic conditions.

  13. Engineering of electronic properties of single layer graphene by swift heavy ion irradiation

    NASA Astrophysics Data System (ADS)

    Kumar, Sunil; Kumar, Ashish; Tripathi, Ambuj; Tyagi, Chetna; Avasthi, D. K.

    2018-04-01

    In this work, swift heavy ion irradiation induced effects on the electrical properties of single layer graphene are reported. The modulation in minimum conductivity point in graphene with in-situ electrical measurement during ion irradiation was studied. It is found that the resistance of graphene layer decreases at lower fluences up to 3 × 1011 ions/cm2, which is accompanied by the five-fold increase in electron and hole mobilities. The ion irradiation induced increase in electron and hole mobilities at lower fluence up to 1 × 1011 ions/cm2 is verified by separate Hall measurements on another irradiated graphene sample at the selected fluence. In contrast to the adverse effects of irradiation on the electrical properties of materials, we have found improvement in electrical mobility after irradiation. The increment in mobility is explained by considering the defect annealing in graphene after irradiation at a lower fluence regime. The modification in carrier density after irradiation is also observed. Based on findings of the present work, we suggest ion beam irradiation as a useful tool for tuning of the electrical properties of graphene.

  14. Novel high volumetric energy density nanostructured electrode materials for biomedical applications

    NASA Astrophysics Data System (ADS)

    Tong, Wei

    A definitive focus is being made to develop cathode materials of higher energy and good power for primary and rechargeable lithium batteries upon the development of implantable biomedical devices (cardiac defibrillators). In this thesis, novel electroactive nanostructured silver metal oxyfluoride perovskites, Ag1+3Mo6+(O3F 3) and Ag1+3Nb5+(O2F 4) have been successfully synthesized by a mechanochemical reaction. The formation of these perovskites was investigated throughout the Ag-Mo / Nb composition range with the use of either Ag1+ or Ag 2+ in the form of AgF and AgF2 as the reactant, respectively. The compositional study combined with XRD and extensive Raman investigation was utilized to determine structure and cation distribution and infer oxidation state. An electrochemical characterization of these silver metal oxyfluoride perovskite positive electrodes for Li batteries was investigated for the first time as a function of synthesis condition, stoichiometry and effect of Mo and Ag derived second phases. A detailed in-situ electrochemical study by XAS, Raman and XRD was performed, revealing a 3 electron silver displacement or conversion reaction at > 3 V and a 2 electron reduction of Mo6+ to Mo4+ in the region < 3 V. To further improve the rate capability of silver metal oxyfluorides, metallic Ag2F phase has been successfully synthesized through the mechanochemical reaction of Ag and AgF. Its unique metallic character within Ag layers lead to a very good electronic conductivity (7.89x10 -2 S/cm). The efficacy of SMOF composites consisting of conducting matrix (carbon black, Ag2F and Ag phase) for lithium battery was investigated through discharge rate studies. Results indicated that Ag 2F phase could be utilized as an alternative conductive additive with exceptional density.

  15. Few layer graphene wrapped mixed phase TiO2 nanofiber as a potential electrode material for high performance supercapacitor applications

    NASA Astrophysics Data System (ADS)

    Thirugnanam, Lavanya; Sundara, Ramaprabhu

    2018-06-01

    A combination of favorable composition and optimized anatase/rutile mixed-phase TiO2 (MPTNF)/Hydrogen exfoliated graphene (HEG) composite nanofibers (MPTNF/HEG) and anatase/rutile mixed-phase TiO2/reduced graphene oxide (rGO) composite nanofibers (MPTNF/rGO) have been reported to enhance the electrochemical properties for supercapacitor applications. These composite nanofibers have been synthesized by an efficient route of electrospinning together with the help of easy chemical methods. Both the composites exhibit good charge storage capability with enhanced pseudocapacitance and electric double-layer capacitance (EDLC) as confirmed by cyclic voltammetry studies. MPTNF/HEG composite showed maximum specific capacitance of 210.5 F/g at the current density of 1 A/g, which was mainly due to its availability of the more active sites for ions adsorption on a few layers of graphene wrapped TiO2 nanofiber surface. The synergistic effect of anatase/rutile mixed phase with one dimensional nanostructure and the electronic interaction between TiO2 and few layer graphene provided the subsequent improvement of ion adsorption capacity. Also exhibit excellent electrochemical performance to improve the capacitive properties of TiO2 electrode materials which is required for the development of flexible electrodes in energy storage devices and open up new opportunities for high performance supercapacitors.

  16. Ion Densities in the Nightside Ionosphere of Mars: Effects of Electron Impact Ionization

    NASA Astrophysics Data System (ADS)

    Girazian, Z.; Mahaffy, P.; Lillis, R. J.; Benna, M.; Elrod, M.; Fowler, C. M.; Mitchell, D. L.

    2017-11-01

    We use observations from the Mars Atmosphere and Volatile EvolutioN (MAVEN) mission to show how superthermal electron fluxes and crustal magnetic fields affect ion densities in the nightside ionosphere of Mars. We find that due to electron impact ionization, high electron fluxes significantly increase the CO2+, O+, and O2+ densities below 200 km but only modestly increase the NO+ density. High electron fluxes also produce distinct peaks in the CO2+, O+, and O2+ altitude profiles. We also find that superthermal electron fluxes are smaller near strong crustal magnetic fields. Consequently, nightside ion densities are also smaller near strong crustal fields because they decay without being replenished by electron impact ionization. Furthermore, the NO+/O2+ ratio is enhanced near strong crustal fields because, in the absence of electron impact ionization, O2+ is converted into NO+ and not replenished. Our results show that electron impact ionization is a significant source of CO2+, O+, and O2+ in the nightside ionosphere of Mars.

  17. Superconductivity of Ca2 InN with a layered structure embedding an anionic indium chain array

    NASA Astrophysics Data System (ADS)

    Jeong, Sehoon; Matsuishi, Satoru; Lee, Kimoon; Toda, Yoshitake; Wng Kim, Sung; Hosono, Hideo

    2014-05-01

    We report the emergence of superconductivity in Ca2InN consisting of a two-dimensional (2D) array of zigzag indium chains embedded between Ca2N layers. A sudden drop of resistivity and a specific heat (Cp) jump attributed to the superconducting transition were observed at 0.6 K. The Sommerfeld coefficient γ = 4.24 mJ mol-1K-2 and Debye temperature ΘD = 322 K were determined from the Cp of the normal conducting state and the superconducting volume fraction was estimated to be ˜80% from the Cp jump, assuming a BCS-type weak coupling. Density functional theory calculations demonstrated that the electronic bands near the Fermi level (EF) are mainly derived from In 5p orbitals with π and σ bonding states and the Fermi surface is composed of cylindrical parts, corresponding to the quasi-2D electronic state of the In-chain array. By integrating the projected density of states of the In-p component up to EF, a valence electron population of ˜1.6 electrons/In was calculated, indicating that partially anionic state of In. The In 3d binding energies observed in Ca2InN by x-ray photoemission spectroscopy were negatively shifted from that in In metal. The superconductivity of Ca2InN is associated with the p-p bonding states of the anionic In layer.

  18. Electron-cyclotron wave scattering by edge density fluctuations in ITER

    NASA Astrophysics Data System (ADS)

    Tsironis, Christos; Peeters, Arthur G.; Isliker, Heinz; Strintzi, Dafni; Chatziantonaki, Ioanna; Vlahos, Loukas

    2009-11-01

    The effect of edge turbulence on the electron-cyclotron wave propagation in ITER is investigated with emphasis on wave scattering, beam broadening, and its influence on localized heating and current drive. A wave used for electron-cyclotron current drive (ECCD) must cross the edge of the plasma, where density fluctuations can be large enough to bring on wave scattering. The scattering angle due to the density fluctuations is small, but the beam propagates over a distance of several meters up to the resonance layer and even small angle scattering leads to a deviation of several centimeters at the deposition location. Since the localization of ECCD is crucial for the control of neoclassical tearing modes, this issue is of great importance to the ITER design. The wave scattering process is described on the basis of a Fokker-Planck equation, where the diffusion coefficient is calculated analytically as well as computed numerically using a ray tracing code.

  19. Radiation accumulation of F{sub 2} color centers in LiF crystal

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lisitsyna, L. A.

    2016-01-15

    The paper presents the results of the research of the F{sub 2} centers accumulation dose dependences in the LiF crystals, the kinetics of absorption relaxation initiated by exposure to a single electron pulse in the band maxima of different electron centers obtained by time-resolved spectrometry with nanosecond resolution. An analytical description of the F{sub 2} center accumulation in an absorbed dose range ≤10{sup 3} Gy is provided.

  20. Organic photovoltaic cell incorporating electron conducting exciton blocking layers

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Forrest, Stephen R.; Lassiter, Brian E.

    2014-08-26

    The present disclosure relates to photosensitive optoelectronic devices including a compound blocking layer located between an acceptor material and a cathode, the compound blocking layer including: at least one electron conducting material, and at least one wide-gap electron conducting exciton blocking layer. For example, 3,4,9,10 perylenetetracarboxylic bisbenzimidazole (PTCBI) and 1,4,5,8-napthalene-tetracarboxylic-dianhydride (NTCDA) function as electron conducting and exciton blocking layers when interposed between the acceptor layer and cathode. Both materials serve as efficient electron conductors, leading to a fill factor as high as 0.70. By using an NTCDA/PTCBI compound blocking layer structure increased power conversion efficiency is achieved, compared to anmore » analogous device using a conventional blocking layers shown to conduct electrons via damage-induced midgap states.« less

  1. Diverse and tunable electronic structures of single-layer metal phosphorus trichalcogenides for photocatalytic water splitting

    NASA Astrophysics Data System (ADS)

    Liu, Jian; Li, Xi-Bo; Wang, Da; Lau, Woon-Ming; Peng, Ping; Liu, Li-Min

    2014-02-01

    The family of bulk metal phosphorus trichalcogenides (APX3, A = MII, M_{0.5}^IM_{0.5}^{III}; X = S, Se; MI, MII, and MIII represent Group-I, Group-II, and Group-III metals, respectively) has attracted great attentions because such materials not only own magnetic and ferroelectric properties, but also exhibit excellent properties in hydrogen storage and lithium battery because of the layered structures. Many layered materials have been exfoliated into two-dimensional (2D) materials, and they show distinct electronic properties compared with their bulks. Here we present a systematical study of single-layer metal phosphorus trichalcogenides by density functional theory calculations. The results show that the single layer metal phosphorus trichalcogenides have very low formation energies, which indicates that the exfoliation of single layer APX3 should not be difficult. The family of single layer metal phosphorus trichalcogenides exhibits a large range of band gaps from 1.77 to 3.94 eV, and the electronic structures are greatly affected by the metal or the chalcogenide atoms. The calculated band edges of metal phosphorus trichalcogenides further reveal that single-layer ZnPSe3, CdPSe3, Ag0.5Sc0.5PSe3, and Ag0.5In0.5PX3 (X = S and Se) have both suitable band gaps for visible-light driving and sufficient over-potentials for water splitting. More fascinatingly, single-layer Ag0.5Sc0.5PSe3 is a direct band gap semiconductor, and the calculated optical absorption further convinces that such materials own outstanding properties for light absorption. Such results demonstrate that the single layer metal phosphorus trichalcogenides own high stability, versatile electronic properties, and high optical absorption, thus such materials have great chances to be high efficient photocatalysts for water-splitting.

  2. Study of the effects of GaN buffer layer quality on the dc characteristics of AlGaN/GaN high electron mobility transistors

    DOE PAGES

    Ahn, Shihyun; Zhu, Weidi; Dong, Chen; ...

    2015-04-21

    Here we studied the effect of buffer layer quality on dc characteristics of AlGaN/GaN high electron mobility (HEMTs). AlGaN/GaN HEMT structures with 2 and 5 μm GaN buffer layers on sapphire substrates from two different vendors with the same Al concentration of AlGaN were used. The defect densities of HEMT structures with 2 and 5 μm GaN buffer layer were 7 × 10 9 and 5 × 10 8 cm ₋2, respectively, as measured by transmission electron microscopy. There was little difference in drain saturation current or in transfer characteristics in HEMTs on these two types of buffer. However, theremore » was no dispersion observed on the nonpassivated HEMTs with 5 μm GaN buffer layer for gate-lag pulsed measurement at 100 kHz, which was in sharp contrast to the 71% drain current reduction for the HEMT with 2 μm GaN buffer layer.« less

  3. Unconventional iron-based superconductor CsCa2Fe4As4F2: A first-principle study

    NASA Astrophysics Data System (ADS)

    Singh, Birender; Kumar, Pradeep

    2018-05-01

    In the present work, we have investigated the structural and electronic properties of newly discovered iron based superconductor CsCa2Fe4As4F2 using first principles calculations. Analysis of the density of states at the Fermi level suggests that Fe-3d states have dominating contribution, and within these 3d states contribution of eg states is significant suggesting multi-band nature of this superconductor. The upper bound of superconducting transition temperature, estimated using electron-phonon coupling constant is found to be ˜2.6 K. To produce the experimental value of transition temperature (28.2 K), a 4-5 times increase in the electron-phonon constant is necessary, hinting that conventional electron-phonon coupling is not enough to explain the origin of superconductivity.

  4. Electrons In The Low Density Solar Wind

    NASA Technical Reports Server (NTRS)

    Ogilvie, Keith W.; Desch, Michael; Fitzenreiter, Richard; Vondrak, Richard R. (Technical Monitor)

    2000-01-01

    The recent occurrence of an interval (May 9th to May 12th, 1999) of abnormally low density solar wind has drawn attention to such events. The SWE instrument on the Wind spacecraft observed nine similar events between launch (November 1994) and August 1999: one in 1997, three in 1998, and five in January-August 1999. No such events were observed in 1996, the year of solar minimum. This already suggests a strong dependence upon solar activity. In this paper we discuss observations of the electron strahl, a strong anisotropy in the solar wind electrons above 60 eV directed along the magnetic field and observed continuously during the periods of low density in 1998 and 1999. When the solar wind density was less than 2/cc, the angular width of the strahl was below 3.5 degrees and the temperature deduced from the slope of the electron strahl phase density (as a function of energy in the energy range 200 to 800 eV) was 100 to 150 eV, equivalent to a typical coronal electron temperature. Three examples of this phenomenon, observed on Feb. 20- 22, April 26-27 and May 9-12, 1999, are discussed to show their similarity to one another. These electron observations are interpreted to show that the strahl occurs as a result of the conservation of the first adiabatic invariant, combined with the lack of coulomb collisions as suggested by Fairfield and Scudder, 1985.

  5. Characteristics of ionospheric electron density profiles in the auroral and polar cap regions from long-term incoherent scatter radar observations

    NASA Astrophysics Data System (ADS)

    Jee, G.; Kim, E.; Kwak, Y. S.; Kim, Y.; Kil, H.

    2017-12-01

    We investigate the climatological characteristics of the ionospheric electron density profiles in the auroral and polar cap regions in comparison with the mid-latitude ionosphere using incoherent scatter radars (ISR) observations from Svalbard (78.15N, 16.05E), Tromso (69.59N, 19.23E), and Millstone Hill (42.6N, 288.5E) during a period of 1995 - 2015. Diurnal variations of electron density profiles from 100 to 500 km are compared among the three radar observations during equinox, summer and winter solstice for different solar and geomagnetic activities. Also investigated are the physical characteristics of E-region and F-region peak parameters of electron density profiles in the auroral and polar cap regions, which are significantly different from the mid-latitude ionosphere. In the polar ionosphere, the diurnal variations of density profiles are extremely small in summer hemisphere. Semiannual anomaly hardly appears for all latitudes, but winter anomaly occurs at mid-latitude and auroral ionospheres for high solar activity. Nighttime density becomes larger than daytime density in the winter polar cap ionosphere for high solar activity. The E-region peak is very distinctive in the nighttime auroral region and the peak height is nearly constant at about 110 km for all conditions. Compared with the F-region peak density, the E-region peak density does not change much with solar activity. Furthermore, the E-region peak density can be even larger than F-region density for low solar activity in the auroral region, particularly during disturbed condition.

  6. MAVEN observations of dayside peak electron densities in the ionosphere of Mars

    NASA Astrophysics Data System (ADS)

    Vogt, Marissa F.; Withers, Paul; Fallows, Kathryn; Andersson, Laila; Girazian, Zachary; Mahaffy, Paul R.; Benna, Mehdi; Elrod, Meredith K.; Connerney, John E. P.; Espley, Jared R.; Eparvier, Frank G.; Jakosky, Bruce M.

    2017-01-01

    The peak electron density in the dayside Martian ionosphere is a valuable diagnostic of the state of the ionosphere. Its dependence on factors like the solar zenith angle, ionizing solar irradiance, neutral scale height, and electron temperature has been well studied. The Mars Atmosphere and Volatile EvolutioN spacecraft's September 2015 "deep dip" orbits, in which the orbital periapsis was lowered to 125 km, provided the first opportunity since Viking to sample in situ a complete dayside electron density profile including the main peak. Here we present peak electron density measurements from 37 deep dip orbits and describe conditions at the altitude of the main peak, including the electron temperature and composition of the ionosphere and neutral atmosphere. We find that the dependence of the peak electron density and the altitude of the main peak on solar zenith angle are well described by analytical photochemical theory. Additionally, we find that the electron temperatures at the main peak display a dependence on solar zenith angle that is consistent with the observed variability in the peak electron density. Several peak density measurements were made in regions of large crustal magnetic field, but there is no clear evidence that the crustal magnetic field strength influences the peak electron density, peak altitude, or electron temperature. Finally, we find that the fractional abundance of O2+ and CO2+ at the peak altitude is variable but that the two species together consistently represent 95% of the total ion density.

  7. Partially Oxidized SnS2 Atomic Layers Achieving Efficient Visible-Light-Driven CO2 Reduction.

    PubMed

    Jiao, Xingchen; Li, Xiaodong; Jin, Xiuyu; Sun, Yongfu; Xu, Jiaqi; Liang, Liang; Ju, Huanxin; Zhu, Junfa; Pan, Yang; Yan, Wensheng; Lin, Yue; Xie, Yi

    2017-12-13

    Unraveling the role of surface oxide on affecting its native metal disulfide's CO 2 photoreduction remains a grand challenge. Herein, we initially construct metal disulfide atomic layers and hence deliberately create oxidized domains on their surfaces. As an example, SnS 2 atomic layers with different oxidation degrees are successfully synthesized. In situ Fourier transform infrared spectroscopy spectra disclose the COOH* radical is the main intermediate, whereas density-functional-theory calculations reveal the COOH* formation is the rate-limiting step. The locally oxidized domains could serve as the highly catalytically active sites, which not only benefit for charge-carrier separation kinetics, verified by surface photovoltage spectra, but also result in electron localization on Sn atoms near the O atoms, thus lowering the activation energy barrier through stabilizing the COOH* intermediates. As a result, the mildly oxidized SnS 2 atomic layers exhibit the carbon monoxide formation rate of 12.28 μmol g -1 h -1 , roughly 2.3 and 2.6 times higher than those of the poorly oxidized SnS 2 atomic layers and the SnS 2 atomic layers under visible-light illumination. This work uncovers atomic-level insights into the correlation between oxidized sulfides and CO 2 reduction property, paving a new way for obtaining high-efficiency CO 2 photoreduction performances.

  8. Effect of interfaces on electron transport properties of MoS2-Au Contacts

    NASA Astrophysics Data System (ADS)

    Aminpour, Maral; Hapala, Prokop; Le, Duy; Jelinek, Pavel; Rahman, Talat S.; Rahman's Group Collaboration; Nanosurf Lab Collaboration

    2014-03-01

    Single layer MoS2 is a promising material for future electronic devices such as transistors since it has good transport characteristics with mobility greater than 200 cm-1V-1s-1 and on-off current ratios up to 108. However, before MoS2 can become a mainstream electronic material for the semiconductor industry, the design of low resistive metal-semiconductor junctions as contacts of the electronic devices needs to be addressed and studied systematically. We have examined the effect of Au contacts on the electronic transport properties of single layer MoS2 using density functional theory in combination with the non-equilibrium Green's function method. The Schottky barrier between Au contact and MoS2, transmission spectra, and I-V curves will be reported and discussed as a function of MoS2 and Au interfaces of varying geometry. This work is supported in part by the US Department of Energy under grant DE-FG02-07ER15842.

  9. [Effects of Different Planting Direction and Layer Combination on Gastrodia elata f. elata in Bionic Wild Cultivation].

    PubMed

    Liu, Wei; Zhao, Zhi; Wang, Hua-lei; Luo, Fu-lai; Li, Jin-ling; Liu, Hong-chang; Luo, Chun-li

    2015-05-01

    Combination of different planting direction and layer were set to choose the best technology of cultivation of Gastrodia elata f. elata. To improve the yield and quality of Gastrodia elata f. elata, randomized block design experiments were carried out to investigate the yield and quality, and to analyze their economic effectiveness in bionic wild cultivation. Length, width, thickness and weight of southern direction's Gastrodia elata f. elata developed better than the northeast direction. The three planting layer levels on growth effect of Gastrodia elata f. elata was the 3rd layer > the 2nd layer > the 1st layer. In six treatments, combination of southern direction-the 3rd layer was the best technology of cultivation of Gastrodia elata f. elata, which had the best growth condition, the highest yield significantly higher than other treatments, and the best economic benefits. Southern direction associated with the 3rd layer is the best combination to planting Gastrodia elata f. elata in bionic wild cultivation. The planting ways not only improve the yield and quality, but also save land.

  10. Electrochemical studies of biocatalytic anode of sulfonated graphene/ferritin/glucose oxidase layer-by-layer biocomposite films for mediated electron transfer.

    PubMed

    Inamuddin; Haque, Sufia Ul; Naushad, Mu

    2016-06-01

    In this study, a bioanode was developed by using layer-by-layer (LBL) assembly of sulfonated graphene (SG)/ferritin (Frt)/glucose oxidase (GOx). The SG/Frt biocomposite was used as an electron transfer elevator and mediator, respectively. Glucose oxidase (GOx) from Aspergillus niger was applied as a glucose oxidation biocatalyst. The electrocatalytic oxidation of glucose using GOx modified electrode increases with an increase in the concentration of glucose in the range of 10-50mM. The electrochemical measurements of the electrode was carried out by using cyclic voltammetry (CV) at different scan rates (20-100mVs(-1)) in 30mM of glucose solution prepared in 0.3M potassium ferrocyanide (K4Fe(CN)6) and linear sweep voltammetry (LSV). A saturation current density of 50±2mAcm(-2) at a scan rate of 100mVs(-1) for the oxidation of 30Mm glucose is achieved. Copyright © 2016 Elsevier Inc. All rights reserved.

  11. Cooperative tin oxide fullerene electron selective layers for high-performance planar perovskite solar cells

    DOE PAGES

    Ke, Weijun; Zhao, Dewei; Xiao, Chuanxiao; ...

    2016-08-17

    Both tin oxide (SnO 2) and fullerenes have been reported as electron selective layers (ESLs) for producing efficient lead halide perovskite solar cells. Here, we report that SnO 2 and fullerenes can work cooperatively to further boost the performance of perovskite solar cells. We find that fullerenes can be redissolved during perovskite deposition, allowing ultra-thin fullerenes to be retained at the interface and some dissolved fullerenes infiltrate into perovskite grain boundaries. The SnO 2 layer blocks holes effectively; whereas, the fullerenes promote electron transfer and passivate both the SnO 2/perovskite interface and perovskite grain boundaries. With careful device optimization, themore » best-performing planar perovskite solar cell using a fullerene passivated SnO 2 ESL has achieved a steady-state efficiency of 17.75% and a power conversion efficiency of 19.12% with an open circuit voltage of 1.12 V, a short-circuit current density of 22.61 mA cm -2, and a fill factor of 75.8% when measured under reverse voltage scanning. In conclusion, we find that the partial dissolving of fullerenes during perovskite deposition is the key for fabricating high-performance perovskite solar cells based on metal oxide/fullerene ESLs.« less

  12. Modeling the Lower Part of the Topside Ionospheric Vertical Electron Density Profile Over the European Region by Means of Swarm Satellites Data and IRI UP Method

    NASA Astrophysics Data System (ADS)

    Pignalberi, A.; Pezzopane, M.; Rizzi, R.

    2018-03-01

    An empirical method to model the lower part of the ionospheric topside region from the F2 layer peak height to about 500-600 km of altitude over the European region is proposed. The method is based on electron density values recorded from December 2013 to June 2016 by Swarm satellites and on foF2 and hmF2 values provided by IRI UP (International Reference Ionosphere UPdate), which is a method developed to update the IRI model relying on the assimilation of foF2 and M(3000)F2 data routinely recorded by a network of European ionosonde stations. Topside effective scale heights are calculated by fitting some definite analytical functions (α-Chapman, β-Chapman, Epstein, and exponential) through the values recorded by Swarm and the ones output by IRI UP, with the assumption that the effective scale height is constant in the altitude range considered. Calculated effective scale heights are then modeled as a function of foF2 and hmF2, in order to be operationally applicable to both ionosonde measurements and ionospheric models, like IRI. The method produces two-dimensional grids of the median effective scale height binned as a function of foF2 and hmF2, for each of the considered topside profiles. A statistical comparison with Constellation Observing System for Meteorology, Ionosphere, and Climate/FORMOsa SATellite-3 collected Radio Occultation profiles is carried out to assess the validity of the proposed method and to investigate which of the considered topside profiles is the best one. The α-Chapman topside function displays the best performance compared to the others and also when compared to the NeQuick topside option of IRI.

  13. Improved process for generating ClF/sub 3/ from ClF and F/sub 2/

    DOEpatents

    Reiner, R.H.; Pashley, J.H.; Barber, E.J.

    The invention is an improvement in the process for producing gaseous ClF/sub 3/ by reacting ClF and F/sub 2/ at elevated temperature. The improved process comprises conducting the reaction in the presence of NiF/sub 2/, which preferably is in the form of particles or in the form of a film or layer on a particulate substrate. The nickel fluoride acts as a reaction catalyst, significantly increasing the reaction rate and thus permitting valuable reductions in process temperature, pressure, and/or reactor volume.

  14. Evidence for Chemical and Electronic Nonuniformities in the Formation of the Interface of RbF-Treated Cu(In,Ga)Se2 with CdS.

    PubMed

    Nicoara, Nicoleta; Kunze, Thomas; Jackson, Philip; Hariskos, Dimitrios; Duarte, Roberto Félix; Wilks, Regan G; Witte, Wolfram; Bär, Marcus; Sadewasser, Sascha

    2017-12-20

    We report on the initial stages of CdS buffer layer formation on Cu(In,Ga)Se 2 (CIGSe) thin-film solar cell absorbers subjected to rubidium fluoride (RbF) postdeposition treatment (PDT). A detailed characterization of the CIGSe/CdS interface for different chemical bath deposition (CBD) times of the CdS layer is obtained from spatially resolved atomic and Kelvin probe force microscopy and laterally integrating X-ray spectroscopies. The observed spatial inhomogeneity in the interface's structural, chemical, and electronic properties of samples undergoing up to 3 min of CBD treatments is indicative of a complex interface formation including an incomplete coverage and/or nonuniform composition of the buffer layer. It is expected that this result impacts solar cell performance, in particular when reducing the CdS layer thickness (e.g., in an attempt to increase the collection in the ultraviolet wavelength region). Our work provides important findings on the absorber/buffer interface formation and reveals the underlying mechanism for limitations in the reduction of the CdS thickness, even when an alkali PDT is applied to the CIGSe absorber.

  15. Early time evolution of negative ion clouds and electron density depletions produced during electron attachment chemical release experiments

    NASA Technical Reports Server (NTRS)

    Scales, W. A.; Bernhardt, P. A.; Ganguli, G.

    1994-01-01

    Two-dimensional electrostatic particle-in-cell simulations are used to study the early time evolution of electron depletions and negative ion clouds produced during electron attachment chemical releases in the ionosphere. The simulation model considers the evolution in the plane perpendicular to the magnetic field and a three-species plasma that contains electrons, positive ions, and also heavy negative ions that result as a by-product of the electron attachment reaction. The early time evolution (less than the negative ion cyclotron period) of the system shows that a negative charge surplus initially develops outside of the depletion boundary as the heavy negative ions move across the boundary. The electrons are initially restricted from moving into the depletion due to the magnetic field. An inhomogenous electric field develops across the boundary layer due to this charge separation. A highly sheared electron flow velocity develops in the depletion boundary due to E x B and Delta-N x B drifts that result from electron density gradients and this inhomogenous electric field. Structure eventually develops in the depletion boundary layer due to low-frequency electrostatic waves that have growth times shorter than the negative ion cyclotron period. It is proposed that these waves are most likely produced by the electron-ion hybrid instability that results from sufficiently large shears in the electron flow velocity.

  16. Electron Densities Near Io from Galileo Plasma Wave Observations

    NASA Technical Reports Server (NTRS)

    Gurnett, D. A.; Persoon, A. M.; Kurth, W. S.; Roux, A.; Bolton, S. J.

    2001-01-01

    This paper presents an overview of electron densities obtained near Io from the Galileo plasma wave instrument during the first four flybys of Io. These flybys were Io, which was a downstream wake pass that occurred on December 7, 1995; I24, which was an upstream pass that occurred on October 11, 1999; I25, which was a south polar pass that occurred on November 26, 1999; and I27, which was an upstream pass that occurred on February 22, 2000. Two methods were used to measure the electron density. The first was based on the frequency of upper hybrid resonance emissions, and the second was based on the low-frequency cutoff of electromagnetic radiation at the electron plasma frequency. For three of the flybys, Io, I25, and I27, large density enhancements were observed near the closest approach to Io. The peak electron densities ranged from 2.1 to 6.8 x 10(exp 4) per cubic centimeters. These densities are consistent with previous radio occultation measurements of Io's ionosphere. No density enhancement was observed during the I24 flyby, most likely because the spacecraft trajectory passed too far upstream to penetrate Io's ionosphere. During two of the flybys, I25 and I27, abrupt step-like changes were observed at the outer boundaries of the region of enhanced electron density. Comparisons with magnetic field models and energetic particle measurements show that the abrupt density steps occur as the spacecraft penetrated the boundary of the Io flux tube, with the region of high plasma density on the inside of the flux tube. Most likely the enhanced electron density within the Io flux tube is associated with magnetic field lines that are frozen to Io by the high conductivity of Io's atmosphere, thereby enhancing the escape of plasma along the magnetic field lines that pass through Io's ionosphere.

  17. Structural and electronic properties of the transition layer at the SiO{sub 2}/4H-SiC interface

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Li, Wenbo; Wang, Dejun, E-mail: dwang121@dlut.edu.cn; Zhao, Jijun

    Using first-principles methods, we generate an amorphous SiO{sub 2}/4H-SiC interface with a transition layer. Based this interface model, we investigate the structural and electronic properties of the interfacial transition layer. The calculated Si 2p core-level shifts for this interface are comparable to the experimental data, indicating that various SiC{sub x}O{sub y} species should be present in this interface transition layer. The analysis of the electronic structures reveals that the tetrahedral SiC{sub x}O{sub y} structures cannot introduce any of the defect states at the interface. Interestingly, our transition layer also includes a C-C=C trimer and SiO{sub 5} configurations, which lead tomore » the generation of interface states. The accurate positions of Kohn-Sham energy levels associated with these defects are further calculated within the hybrid functional scheme. The Kohn-Sham energy levels of the carbon trimer and SiO{sub 5} configurations are located near the conduction and valence band of bulk 4H-SiC, respectively. The result indicates that the carbon trimer occurred in the transition layer may be a possible origin of near interface traps. These findings provide novel insight into the structural and electronic properties of the realistic SiO{sub 2}/SiC interface.« less

  18. Electronic Structure Approach to Tunable Electronic Properties of Hybrid Organic-Inorganic Perovskites

    NASA Astrophysics Data System (ADS)

    Liu, Garnett; Huhn, William; Mitzi, David B.; Kanai, Yosuke; Blum, Volker

    We present a study of the electronic structure of layered hybrid organic-inorganic perovskite (HOIP) materials using all-electron density-functional theory. Varying the nature of the organic and inorganic layers should enable systematically fine-tuning the carrier properties of each component. Using the HSE06 hybrid density functional including spin-orbit coupling (SOC), we validate the principle of tuning subsystem-specific parts of the electron band structures and densities of states in CH3NH3PbX3 (X=Cl, Br, I) compared to a modified organic component in layered (C6H5C2H4NH3) 2PbX4 (X=Cl, Br, I) and C20H22S4N2PbX4 (X=Cl, Br, I). We show that tunable shifts of electronic levels indeed arise by varying Cl, Br, I as the inorganic components, and CH3NH3+ , C6H5C2H4NH3+ , C20H22S4N22 + as the organic components. SOC is found to play an important role in splitting the conduction bands of the HOIP compounds investigated here. The frontier orbitals of the halide shift, increasing the gap, when Cl is substituted for Br and I.

  19. Role of 4 f electrons in crystallographic and magnetic complexity

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pathak, Arjun K.; Paudyal, Durga; Mudryk, Yaroslav

    2017-08-09

    Here, the functionality of many magnetic materials critically depends on first manipulating and then taking advantage of highly nonlinear changes of properties that occur during phase transformations. Unique to lanthanides, property-defining 4f electrons are highly localized and, as commonly accepted, play little to no role in chemical bonding. Yet here we demonstrate that the competition between 4f-electron energy landscapes of Dy (4f 9) and Er (4f 11) is the key element of the puzzle required to explain complex interplay of magnetic and structural features observed in Er 1–xDy xCo 2, and likely many other mixed lanthanide systems. Unlike the parentmore » binaries—DyCo 2 and ErCo 2—Er 1–xDy xCo 2 exhibits two successive magnetostructural transitions: a first order at TC, followed by a second order in the ferrimagnetically ordered state. Supported by first-principles calculations, our results offer new opportunities for targeted design of magnetic materials with multiple functionalities, and also provide a critical insight into the role of 4f electrons in controlling the magnetism and structure of lanthanide intermetallics.« less

  20. Density of Mars' south polar layered deposits.

    PubMed

    Zuber, Maria T; Phillips, Roger J; Andrews-Hanna, Jeffrey C; Asmar, Sami W; Konopliv, Alexander S; Lemoine, Frank G; Plaut, Jeffrey J; Smith, David E; Smrekar, Suzanne E

    2007-09-21

    Both poles of Mars are hidden beneath caps of layered ice. We calculated the density of the south polar layered deposits by combining the gravity field obtained from initial results of radio tracking of the Mars Reconnaissance Orbiter with existing surface topography from the Mars Orbiter Laser Altimeter on the Mars Global Surveyor spacecraft and basal topography from the Mars Advanced Radar for Subsurface and Ionospheric Sounding on the Mars Express spacecraft. The results indicate a best-fit density of 1220 kilograms per cubic meter, which is consistent with water ice that has approximately 15% admixed dust. The results demonstrate that the deposits are probably composed of relatively clean water ice and also refine the martian surface-water inventory.

  1. Effective mass in bilayer graphene at low carrier densities: The role of potential disorder and electron-electron interaction

    NASA Astrophysics Data System (ADS)

    Li, J.; Tan, L. Z.; Zou, K.; Stabile, A. A.; Seiwell, D. J.; Watanabe, K.; Taniguchi, T.; Louie, Steven G.; Zhu, J.

    2016-10-01

    In a two-dimensional electron gas, the electron-electron interaction generally becomes stronger at lower carrier densities and renormalizes the Fermi-liquid parameters, such as the effective mass of carriers. We combine experiment and theory to study the effective masses of electrons and holes me* and mh* in bilayer graphene in the low carrier density regime on the order of 1 ×1011c m-2 . Measurements use temperature-dependent low-field Shubnikov-de Haas oscillations observed in high-mobility hexagonal boron nitride supported samples. We find that while me* follows a tight-binding description in the whole density range, mh* starts to drop rapidly below the tight-binding description at a carrier density of n =6 ×1011c m-2 and exhibits a strong suppression of 30% when n reaches 2 ×1011c m-2 . Contributions from the electron-electron interaction alone, evaluated using several different approximations, cannot explain the experimental trend. Instead, the effect of the potential fluctuation and the resulting electron-hole puddles play a crucial role. Calculations including both the electron-electron interaction and disorder effects explain the experimental data qualitatively and quantitatively. This Rapid Communication reveals an unusual disorder effect unique to two-dimensional semimetallic systems.

  2. SU-G-JeP2-02: A Unifying Multi-Atlas Approach to Electron Density Mapping Using Multi-Parametric MRI for Radiation Treatment Planning

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ren, S; Tianjin University, Tianjin; Hara, W

    Purpose: MRI has a number of advantages over CT as a primary modality for radiation treatment planning (RTP). However, one key bottleneck problem still remains, which is the lack of electron density information in MRI. In the work, a reliable method to map electron density is developed by leveraging the differential contrast of multi-parametric MRI. Methods: We propose a probabilistic Bayesian approach for electron density mapping based on T1 and T2-weighted MRI, using multiple patients as atlases. For each voxel, we compute two conditional probabilities: (1) electron density given its image intensity on T1 and T2-weighted MR images, and (2)more » electron density given its geometric location in a reference anatomy. The two sources of information (image intensity and spatial location) are combined into a unifying posterior probability density function using the Bayesian formalism. The mean value of the posterior probability density function provides the estimated electron density. Results: We evaluated the method on 10 head and neck patients and performed leave-one-out cross validation (9 patients as atlases and remaining 1 as test). The proposed method significantly reduced the errors in electron density estimation, with a mean absolute HU error of 138, compared with 193 for the T1-weighted intensity approach and 261 without density correction. For bone detection (HU>200), the proposed method had an accuracy of 84% and a sensitivity of 73% at specificity of 90% (AUC = 87%). In comparison, the AUC for bone detection is 73% and 50% using the intensity approach and without density correction, respectively. Conclusion: The proposed unifying method provides accurate electron density estimation and bone detection based on multi-parametric MRI of the head with highly heterogeneous anatomy. This could allow for accurate dose calculation and reference image generation for patient setup in MRI-based radiation treatment planning.« less

  3. Transparent 1T-MoS2 nanofilm robustly anchored on substrate by layer-by-layer self-assembly and its ultra-high cycling stability as supercapacitors

    NASA Astrophysics Data System (ADS)

    Li, Danqin; Zhou, Weiqiang; Zhou, Qianjie; Ye, Guo; Wang, Tongzhou; Wu, Jing; Chang, Yanan; Xu, Jingkun

    2017-09-01

    Two-dimensional MoS2 materials have attracted more and more interest and been applied to the field of energy storage because of its unique physical, optical, electronic and electrochemical properties. However, there are no reports on high-stable transparent MoS2 nanofilms as supercapacitors electrode. Here, we describe a transparent 1T-MoS2 nanofilm electrode with super-long stability anchored on the indium tin oxide (ITO) glass by a simple alternate layer-by-layer (LBL) self-assembly of a highly charged cationic poly(diallyldimethylammonium chloride) (PDDA) and negative single-/few-layer 1T MoS2 nanosheets. The ITO/(PDDA/MoS2)20 electrode shows a transmittance of 51.6% at 550 nm and obviously exhibits excellent transparency by naked eye observation. Ultrasonic damage test validates that the (PDDA/MoS2)20 film with the average thickness about 50 nm is robustly anchored on ITO substrate. Additionally, the electrochemical results indicate that the ITO/(PDDA/MoS2)20 film shows areal capacitance of 1.1 mF cm-2 and volumetric capacitance of 220 F cm-3 at 0.04 mA cm-2, 130.6% retention of the original capacitance value after 5000 cycles. Further experiments indicate that the formation of transparent (PDDA/MoS2) x nanofilm by LBL self-assembly can be extended to other substrates, e.g., slide glass and flexible polyethylene terephthalate (PET). Thus, the easily available (PDDA/MoS2) x nanofilm electrode has great potential for application in transparent and/or flexible optoelectronic and electronics devices.

  4. Mysteries of LiF TLD response following high ionisation density irradiation: nanodosimetry and track structure theory, dose response and glow curve shapes.

    PubMed

    Horowitz, Y; Fuks, E; Datz, H; Oster, L; Livingstone, J; Rosenfeld, A

    2011-06-01

    Three outstanding effects of ionisation density on the thermoluminescence (TL) mechanisms giving rise to the glow peaks of LiF:Mg,Ti (TLD-100) are currently under investigation: (1) the dependence of the heavy charged particle (HCP) relative efficiency with increasing ionisation density and the effectiveness of its modelling by track structure theory (TST), (2) the behaviour of the TL efficiency, f(D), as a function of photon energy and dose. These studies are intended to promote the development of a firm theoretical basis for the evaluation of relative TL efficiencies to assist in their application in mixed radiation fields. And (3) the shape of composite peak 5 in the glow curve for various HCP types and energies and following high-dose electron irradiation, i.e. the ratio of the intensity of peak 5a to peak 5. Peak 5a is a low-temperature satellite of peak 5 arising from electron-hole capture in a spatially correlated trapping centre/luminescent centre (TC/LC) complex that has been suggested to possess a potential as a solid-state nanodosemeter due to the preferential electron/hole population of the TC/LC at high ionisation density. It is concluded that (1) the predictions of TST are very strongly dependent on the choice of photon energy used in the determination of f(D); (2) modified TST employing calculated values of f(D) at 2 keV is in agreement with 5-MeV alpha particle experimental results for composite peak 5 but underestimates the 1.5-MeV proton relative efficiencies. Both the proton and alpha particle relative TL efficiencies of the high-temperature TL (HTTL) peaks 7 and 8 are underestimated by an order of magnitude suggesting that the HTTL efficiencies are affected by other factors in addition to radial electron dose; (3) the dose-response supralinearity of peaks 7 and 8 change rapidly with photon energy: this behaviour is explained in the framework of the unified interaction model as due to a very strong dependence on photon energy of the relative

  5. Mysteries of LiF TLD response following high ionisation density irradiation: nanodosimetry and track structure theory, dose response and glow curve shapes

    PubMed Central

    Horowitz, Y.; Fuks, E.; Datz, H.; Oster, L.; Livingstone, J.; Rosenfeld, A.

    2011-01-01

    Three outstanding effects of ionisation density on the thermoluminescence (TL) mechanisms giving rise to the glow peaks of LiF:Mg,Ti (TLD-100) are currently under investigation: (1) the dependence of the heavy charged particle (HCP) relative efficiency with increasing ionisation density and the effectiveness of its modelling by track structure theory (TST), (2) the behaviour of the TL efficiency, f(D), as a function of photon energy and dose. These studies are intended to promote the development of a firm theoretical basis for the evaluation of relative TL efficiencies to assist in their application in mixed radiation fields. And (3) the shape of composite peak 5 in the glow curve for various HCP types and energies and following high-dose electron irradiation, i.e. the ratio of the intensity of peak 5a to peak 5. Peak 5a is a low-temperature satellite of peak 5 arising from electron-hole capture in a spatially correlated trapping centre/luminescent centre (TC/LC) complex that has been suggested to possess a potential as a solid-state nanodosemeter due to the preferential electron/hole population of the TC/LC at high ionisation density. It is concluded that (1) the predictions of TST are very strongly dependent on the choice of photon energy used in the determination of f(D); (2) modified TST employing calculated values of f(D) at 2 keV is in agreement with 5-MeV alpha particle experimental results for composite peak 5 but underestimates the 1.5-MeV proton relative efficiencies. Both the proton and alpha particle relative TL efficiencies of the high-temperature TL (HTTL) peaks 7 and 8 are underestimated by an order of magnitude suggesting that the HTTL efficiencies are affected by other factors in addition to radial electron dose; (3) the dose–response supralinearity of peaks 7 and 8 change rapidly with photon energy: this behaviour is explained in the framework of the unified interaction model as due to a very strong dependence on photon energy of the relative

  6. Electronic Properties of a TMTTF-Family Salt, (TMTTF)2TaF6: New Member Located on the Modified Generalized Phase-Diagram

    NASA Astrophysics Data System (ADS)

    Iwase, Fumitatsu; Sugiura, Koichi; Furukawa, Ko; Nakamura, Toshikazu

    2009-10-01

    A new TMTTF (tetramethyl-tetrathia-fulvalene)-family salt, (TMTTF)2TaF6, which has the largest octahedral (Oh) symmetry counter anion among the various salts in the TMTTF family, was prepared. X-ray, static magnetic susceptibility, electron spin resonance (ESR) and nuclear magnetic resonance (NMR) measurements were carried out in order to investigate the electronic state of (TMTTF)2TaF6. The unit-cell volume of (TMTTF)2TaF6 is larger than that of (TMTTF)2MF6 (M=P, As, and Sb). (TMTTF)2TaF6 shows the highest charge-ordering phase transition temperature (TCO˜ 175 K) among TMTTF salts with the Oh-symmetry counter anion. These facts indicate that (TMTTF)2TaF6 is located on the most negative side in the generalized phase-diagram for TMTCF family salts. (TMTTF)2TaF6 undergoes an antiferromagnetic transition around 9 K. It turned out the phase diagram needs to be modified.

  7. Teaching Chemistry with Electron Density Models

    NASA Astrophysics Data System (ADS)

    Shusterman, Gwendolyn P.; Shusterman, Alan J.

    1997-07-01

    Linus Pauling once said that a topic must satisfy two criteria before it can be taught to students. First, students must be able to assimilate the topic within a reasonable amount of time. Second, the topic must be relevant to the educational needs and interests of the students. Unfortunately, the standard general chemistry textbook presentation of "electronic structure theory", set as it is in the language of molecular orbitals, has a difficult time satisfying either criterion. Many of the quantum mechanical aspects of molecular orbitals are too difficult for most beginning students to appreciate, much less master, and the few applications that are presented in the typical textbook are too limited in scope to excite much student interest. This article describes a powerful new method for teaching students about electronic structure and its relevance to chemical phenomena. This method, which we have developed and used for several years in general chemistry (G.P.S.) and organic chemistry (A.J.S.) courses, relies on computer-generated three-dimensional models of electron density distributions, and largely satisfies Pauling's two criteria. Students find electron density models easy to understand and use, and because these models are easily applied to a broad range of topics, they successfully convey to students the importance of electronic structure. In addition, when students finally learn about orbital concepts they are better prepared because they already have a well-developed three-dimensional picture of electronic structure to fall back on. We note in this regard that the types of models we use have found widespread, rigorous application in chemical research (1, 2), so students who understand and use electron density models do not need to "unlearn" anything before progressing to more advanced theories.

  8. Uniform laser-driven relativistic electron layer for coherent Thomson scattering.

    PubMed

    Wu, H-C; Meyer-ter-Vehn, J; Fernández, J; Hegelich, B M

    2010-06-11

    A novel scheme is proposed to generate uniform relativistic electron layers for coherent Thomson backscattering. A few-cycle laser pulse is used to produce the electron layer from an ultrathin solid foil. The key element of the new scheme is an additional foil that reflects the drive-laser pulse, but lets the electrons pass almost unperturbed. Making use of two-dimensional particle-in-cell simulations and well-known basic theory, it is shown that the electrons, after interacting with both the drive and reflected laser pulses, form a very uniform flyer freely cruising with a high relativistic γ factor exactly in the drive-laser direction (no transverse momentum). It backscatters the probe light with a full Doppler shift factor of 4γ(2). The reflectivity and its decay due to layer expansion are discussed.

  9. Electron density studies of methyl cellobioside

    USDA-ARS?s Scientific Manuscript database

    Experimental X-ray diffraction crystallography determines the variations in electron density that result from the periodic array of atoms in a crystal. Normally, the positions and type of atom are determined from the electron density based on an approximation that the atoms are spherical. However, t...

  10. Atom Probe Tomography Analysis of Ag Doping in 2D Layered Material (PbSe) 5(Bi 2Se 3) 3

    DOE PAGES

    Ren, Xiaochen; Singh, Arunima K.; Fang, Lei; ...

    2016-09-07

    Impurity doping in two-dimensional (2D) materials can provide a route to tuning electronic properties, so it is important to be able to determine the distribution of dopant atoms within and between layers. Here we report the totnographic mapping of dopants in layered 2D materials with atomic sensitivity and subnanometer spatial resolution using atom, probe tomography (APT). Also, APT analysis shows that Ag dopes both Bi 2Se 3 and PbSe layers in (PbSe) 5(Bi 2Se 3) 3, and correlations :in the position of Ag atoms suggest a pairing across neighboring Bi 2Se 3 and PbSe layers. Finally, density functional theory (DFT)more » calculations confirm the favorability of substitutional-doping for both Pb and Bi and provide insights into the,observed spatial correlations in dopant locations.« less

  11. Efficiency Enhancement of Nanotextured Black Silicon Solar Cells Using Al2O3/TiO2 Dual-Layer Passivation Stack Prepared by Atomic Layer Deposition.

    PubMed

    Wang, Wei-Cheng; Tsai, Meng-Chen; Yang, Jason; Hsu, Chuck; Chen, Miin-Jang

    2015-05-20

    In this study, efficient nanotextured black silicon (NBSi) solar cells composed of silicon nanowire arrays and an Al2O3/TiO2 dual-layer passivation stack on the n(+) emitter were fabricated. The highly conformal Al2O3 and TiO2 surface passivation layers were deposited on the high-aspect-ratio surface of the NBSi wafers using atomic layer deposition. Instead of the single Al2O3 passivation layer with a negative oxide charge density, the Al2O3/TiO2 dual-layer passivation stack treated with forming gas annealing provides a high positive oxide charge density and a low interfacial state density, which are essential for the effective field-effect and chemical passivation of the n(+) emitter. In addition, the Al2O3/TiO2 dual-layer passivation stack suppresses the total reflectance over a broad range of wavelengths (400-1000 nm). Therefore, with the Al2O3/TiO2 dual-layer passivation stack, the short-circuit current density and efficiency of the NBSi solar cell were increased by 11% and 20%, respectively. In conclusion, a high efficiency of 18.5% was achieved with the NBSi solar cells by using the n(+)-emitter/p-base structure passivated with the Al2O3/TiO2 stack.

  12. Fabrication and Characterization of Hybrid Organic-Inorganic Electron Extraction Layers for Polymer Solar Cells toward Improved Processing Robustness and Air Stability.

    PubMed

    Fredj, Donia; Pourcin, Florent; Alkarsifi, Riva; Kilinc, Volkan; Liu, Xianjie; Ben Dkhil, Sadok; Boudjada, Nassira Chniba; Fahlman, Mats; Videlot-Ackermann, Christine; Margeat, Olivier; Ackermann, Jörg; Boujelbene, Mohamed

    2018-05-23

    Organic-inorganic hybrid materials composed of bismuth and diaminopyridine are studied as novel materials for electron extraction layers in polymer solar cells using regular device structures. The hybrid materials are solution processed on top of two different low band gap polymers (PTB7 or PTB7-Th) as donor materials mixed with fullerene PC 70 BM as the acceptor. The intercalation of the hybrid layer between the photoactive layer and the aluminum cathode leads to solar cells with a power conversion efficiency of 7.8% because of significant improvements in all photovoltaic parameters, that is, short-circuit current density, fill factor, and open-circuit voltage, similar to the reference devices using ZnO as the interfacial layer. However when using thick layers of such hybrid materials for electron extraction, only small losses in photocurrent density are observed in contrast to the reference material ZnO of pronounced losses because of optical spacer effects. Importantly, these hybrid electron extraction layers also strongly improve the device stability in air compared with solar cells processed with ZnO interlayers. Both results underline the high potential of this new class of hybrid materials as electron extraction materials toward robust processing of air stable organic solar cells.

  13. Pair 2-electron reduced density matrix theory using localized orbitals

    NASA Astrophysics Data System (ADS)

    Head-Marsden, Kade; Mazziotti, David A.

    2017-08-01

    Full configuration interaction (FCI) restricted to a pairing space yields size-extensive correlation energies but its cost scales exponentially with molecular size. Restricting the variational two-electron reduced-density-matrix (2-RDM) method to represent the same pairing space yields an accurate lower bound to the pair FCI energy at a mean-field-like computational scaling of O (r3) where r is the number of orbitals. In this paper, we show that localized molecular orbitals can be employed to generate an efficient, approximately size-extensive pair 2-RDM method. The use of localized orbitals eliminates the substantial cost of optimizing iteratively the orbitals defining the pairing space without compromising accuracy. In contrast to the localized orbitals, the use of canonical Hartree-Fock molecular orbitals is shown to be both inaccurate and non-size-extensive. The pair 2-RDM has the flexibility to describe the spectra of one-electron RDM occupation numbers from all quantum states that are invariant to time-reversal symmetry. Applications are made to hydrogen chains and their dissociation, n-acene from naphthalene through octacene, and cadmium telluride 2-, 3-, and 4-unit polymers. For the hydrogen chains, the pair 2-RDM method recovers the majority of the energy obtained from similar calculations that iteratively optimize the orbitals. The localized-orbital pair 2-RDM method with its mean-field-like computational scaling and its ability to describe multi-reference correlation has important applications to a range of strongly correlated phenomena in chemistry and physics.

  14. Al2O3/SiON stack layers for effective surface passivation and anti-reflection of high efficiency n-type c-Si solar cells

    NASA Astrophysics Data System (ADS)

    Thi Thanh Nguyen, Huong; Balaji, Nagarajan; Park, Cheolmin; Triet, Nguyen Minh; Le, Anh Huy Tuan; Lee, Seunghwan; Jeon, Minhan; Oh, Donhyun; Dao, Vinh Ai; Yi, Junsin

    2017-02-01

    Excellent surface passivation and anti-reflection properties of double-stack layers is a prerequisite for high efficiency of n-type c-Si solar cells. The high positive fixed charge (Q f) density of N-rich hydrogenated amorphous silicon nitride (a-SiNx:H) films plays a poor role in boron emitter passivation. The more the refractive index ( n ) of a-SiNx:H is decreased, the more the positive Q f of a-SiNx:H is increased. Hydrogenated amorphous silicon oxynitride (SiON) films possess the properties of amorphous silicon oxide (a-SiOx) and a-SiNx:H with variable n and less positive Q f compared with a-SiNx:H. In this study, we investigated the passivation and anti-reflection properties of Al2O3/SiON stacks. Initially, a SiON layer was deposited by plasma enhanced chemical vapor deposition with variable n and its chemical composition was analyzed by Fourier transform infrared spectroscopy. Then, the SiON layer was deposited as a capping layer on a 10 nm thick Al2O3 layer, and the electrical and optical properties were analyzed. The SiON capping layer with n = 1.47 and a thickness of 70 nm resulted in an interface trap density of 4.74 = 1010 cm-2 eV-1 and Q f of -2.59 = 1012 cm-2 with a substantial improvement in lifetime of 1.52 ms after industrial firing. The incorporation of an Al2O3/SiON stack on the front side of the n-type solar cells results in an energy conversion efficiency of 18.34% compared to the one with Al2O3/a-SiNx:H showing 17.55% efficiency. The short circuit current density and open circuit voltage increase by up to 0.83 mA cm-2 and 12 mV, respectively, compared to the Al2O3/a-SiNx:H stack on the front side of the n-type solar cells due to the good anti-reflection and front side surface passivation.

  15. Measurements of electron density and temperature profiles in plasma produced by Nike KrF laser for laser plasma instability research

    NASA Astrophysics Data System (ADS)

    Oh, Jaechul; Weaver, J. L.; Karasik, M.; Chan, L. Y.

    2015-08-01

    A grid image refractometer (GIR) has been implemented at the Nike krypton fluoride laser facility of the Naval Research Laboratory. This instrument simultaneously measures propagation angles and transmissions of UV probe rays (λ = 263 nm, Δt = 10 ps) refracted through plasma. We report results of the first Nike-GIR measurement on a CH plasma produced by the Nike laser pulse (˜1 ns FWHM) with the intensity of 1.1 × 1015 W/cm2. The measured angles and transmissions were processed to construct spatial profiles of electron density (ne) and temperature (Te) in the underdense coronal region of the plasma. Using an inversion algorithm developed for the strongly refracted rays, the deployed GIR system probed electron densities up to 4 × 1021 cm-3 with the density scale length of 120 μm along the plasma symmetry axis. The resulting ne and Te profiles are verified to be self-consistent with the measured quantities of the refracted probe light.

  16. Measurements of electron density and temperature profiles in plasma produced by Nike KrF laser for laser plasma instability research.

    PubMed

    Oh, Jaechul; Weaver, J L; Karasik, M; Chan, L Y

    2015-08-01

    A grid image refractometer (GIR) has been implemented at the Nike krypton fluoride laser facility of the Naval Research Laboratory. This instrument simultaneously measures propagation angles and transmissions of UV probe rays (λ = 263 nm, Δt = 10 ps) refracted through plasma. We report results of the first Nike-GIR measurement on a CH plasma produced by the Nike laser pulse (∼1 ns FWHM) with the intensity of 1.1 × 10(15) W/cm(2). The measured angles and transmissions were processed to construct spatial profiles of electron density (ne) and temperature (Te) in the underdense coronal region of the plasma. Using an inversion algorithm developed for the strongly refracted rays, the deployed GIR system probed electron densities up to 4 × 10(21) cm(-3) with the density scale length of 120 μm along the plasma symmetry axis. The resulting n(e) and T(e) profiles are verified to be self-consistent with the measured quantities of the refracted probe light.

  17. Evaluation of the ion-density measurements by the Indian satellite SROSS-C2

    NASA Astrophysics Data System (ADS)

    Subrahmanyam, P.; Jain, A. R.; Maini, H. K.; Bahl, M.; Das, Rupesh M.; Garg, S. C.; Niranjan, K.

    2010-12-01

    The ion and electron F region plasma measurements made by the ion and electron Retarding Potential Analyzers (RPAs) onboard the Indian satellite SROSS-C2, have yielded excellent data set over the Indian region for more than half a solar cycle, after the SROSS-C2 launch in May 1994. The absolute ion density, ion temperature, and ion composition parameters are derived from these in situ measurements and used by many workers. In this paper the absolute values of ion density derived from the ion RPA measurements are compared and evaluated with the measurements made by ground-based ionosondes located in the Indian region and close to the SROSS-C2 orbital path. It is shown that a slight adjustment in efficiency factor of the ion RPA sensor brings the in situ measurements much closer to those obtained from the ground-based ionosonde measurements taking into account the model calculations. It may be mentioned that this is a correction to the ion density measurement by SROSS-C2 by a fixed proportion (14-11.4%). The effect of change in efficiency factor on the ion current, which is used to deduce the ion number density, is demonstrated and discussed.

  18. Enhanced efficiency and stability of inverted perovskite solar cells using highly crystalline SnO 2 nanocrystals as the robust electron-transporting layer

    DOE PAGES

    Zhu, Zonglong; Bai, Yang; Liu, Xiao; ...

    2016-05-11

    Here highly crystalline SnO 2 is demonstrated to serve as a stable and robust electron-transporting layer for high-performance perovskite solar cells. Benefiting from its high crystallinity, the relatively thick SnO 2 electron-transporting layer (≈120 nm) provides a respectable electron-transporting property to yield a promising power conversion efficiency (PCE)(18.8%) Over 90% of the initial PCE can be retained after 30 d storage in ambient with ≈70% relative humidity.

  19. AlGaN/GaN heterostructures with an AlGaN layer grown directly on reactive-ion-etched GaN showing a high electron mobility (>1300 cm2 V-1 s-1)

    NASA Astrophysics Data System (ADS)

    Yamamoto, Akio; Makino, Shinya; Kanatani, Keito; Kuzuhara, Masaaki

    2018-04-01

    In this study, the metal-organic-vapor-phase-epitaxial growth behavior and electrical properties of AlGaN/GaN structures prepared by the growth of an AlGaN layer on a reactive-ion-etched (RIE) GaN surface without regrown GaN layers were investigated. The annealing of RIE-GaN surfaces in NH3 + H2 atmosphere, employed immediately before AlGaN growth, was a key process in obtaining a clean GaN surface for AlGaN growth, that is, in obtaining an electron mobility as high as 1350 cm2 V-1 s-1 in a fabricated AlGaN/RIE-GaN structure. High-electron-mobility transistors (HEMTs) were successfully fabricated with AlGaN/RIE-GaN wafers. With decreasing density of dotlike defects observed on the surfaces of AlGaN/RIE-GaN wafers, both two-dimensional electron gas properties of AlGaN/RIE-GaN structures and DC characteristics of HEMTs were markedly improved. Since dotlike defect density was markedly dependent on RIE lot, rather than on growth lot, surface contaminations of GaN during RIE were believed to be responsible for the formation of dotlike defects and, therefore, for the inferior electrical properties.

  20. Quantum-chemical calculations and IR spectra of the (F2)MF2 molecules (M = B, Al, Ga, In, Tl) in solid matrices: a new class of very high electron affinity neutral molecules.

    PubMed

    Wang, Xuefeng; Andrews, Lester

    2011-03-23

    Electron-deficient group 13 metals react with F(2) to give the compounds MF(2) (M = B, Al, Ga, In, Tl), which combine with F(2) to form a new class of very high electron affinity neutral molecules, (F(2))MF(2), in solid argon and neon. These (F(2))MF(2) fluorine metal difluoride molecules were identified through matrix IR spectra containing new antisymmetric and symmetric M-F stretching modes. The assignments were confirmed through close comparisons with frequency calculations using DFT methods, which were calibrated against the MF(3) molecules observed in all of the spectra. Electron affinities calculated at the CCSD(T) level fall between 7.0 and 7.8 eV, which are in the range of the highest known electron affinities.