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Sample records for conduction band electron

  1. Conduction band discontinuity and electron confinement at the SixGe1-x/Ge interface

    NASA Astrophysics Data System (ADS)

    Mazzeo, G.; Yablonovitch, E.; Jiang, H. W.; Bai, Y.; Fitzgerald, E. A.

    2010-05-01

    Germanium rich heterostructures can constitute a valid alternative to Silicon for the confinement of single electron spins. The conduction band discontinuity in SiGe/Ge heterostructures grown on pure germanium substrate is predicted to allow the confinement of electrons in the germanium, and the conduction band profile of germanium rich heterostructures allow the implementation of g-factor modulation devices not possible in Silicon. We here prove that electrons can indeed be trapped at the Si0.1Ge0.9/Ge interface and we measure the height of the energy barrier to 0.55±0.05 eV by measuring the tunneling time of electrons as a function of the electric field.

  2. Attosecond Electron Delocalization in the Conduction Band through the Phosphate Backbone of Genomic DNA

    NASA Astrophysics Data System (ADS)

    Ikeura-Sekiguchi, Hiromi; Sekiguchi, Tetsuhiro

    2007-11-01

    Partial density of states in the empty conduction band of the phosphate backbone sites in DNA was probed using energy-dependent resonant Auger spectroscopy. Results show that genomic DNA with periodic backbones exhibits an extended state despite separation of each phosphate group by an insulating sugar group. In antisense DNA with an aperiodic backbone, the equivalent state is localized. Remarkably rapid electron delocalization occurs at ca. 740 attoseconds for wet DNA, as estimated using the core-hole clock method. Such delocalization is comparable to the Fermi velocity of carbon nanotubes.

  3. Compressive straining of bilayer phosphorene leads to extraordinary electron mobility at a new conduction band edge.

    PubMed

    Morgan Stewart, Henry; Shevlin, Stephen A; Catlow, C Richard A; Guo, Zheng Xiao

    2015-03-11

    By means of hybrid DFT calculations and the deformation potential approximation, we show that bilayer phosphorene under slight compression perpendicular to its surface exhibits extraordinary room temperature electron mobility of order 7 × 10(4) cm(2) V(-1) s(-1). This is approximately 2 orders of magnitude higher than is widely reported for ground state phosphorenes and is the result of the emergence of a new conduction band minimum that is decoupled from the in-plane acoustic phonons that dominate carrier scattering.

  4. Mechanical stress altered electron gate tunneling current and extraction of conduction band deformation potentials for germanium

    NASA Astrophysics Data System (ADS)

    Choi, Youn Sung; Lim, Ji-Song; Numata, Toshinori; Nishida, Toshikazu; Thompson, Scott E.

    2007-11-01

    Strain altered electron gate tunneling current is measured for germanium (Ge) metal-oxide-semiconductor devices with HfO2 gate dielectric. Uniaxial mechanical stress is applied using four-point wafer bending along [100] and [110] directions to extract both dilation and shear deformation potential constants of Ge. Least-squares fit to the experimental data results in Ξd and Ξu of -4.3±0.3 and 16.5±0.5 eV, respectively, which agree with theoretical calculations. The dominant mechanism for the strain altered electron gate tunneling current is a strain-induced change in the conduction band offset between Ge and HfO2. Tensile stress reduces the offset and increases the gate tunneling current for Ge while the opposite occurs for Si.

  5. Time-Resolved IR-Absorption Spectroscopy of Hot-Electron Dynamics in Satellite and Upper Conduction Bands in GaP

    NASA Technical Reports Server (NTRS)

    Cavicchia, M. A.; Alfano, R. R.

    1995-01-01

    The relaxation dynamics of hot electrons in the X6 and X7 satellite and upper conduction bands in GaP was directly measured by femtosecond UV-pump-IR-probe absorption spectroscopy. From a fit to the induced IR-absorption spectra the dominant scattering mechanism giving rise to the absorption at early delay times was determined to be intervalley scattering of electrons out of the X7 upper conduction-band valley. For long delay times the dominant scattering mechanism is electron-hole scattering. Electron transport dynamics of the upper conduction band of GaP has been time resolved.

  6. Electron scattering in the Δ{sub 1} model of the conduction band of germanium single crystals

    SciTech Connect

    Luniov, S. V. Burban, O. V.; Nazarchuk, P. F.

    2015-05-15

    Electron scattering in the possible Δ{sub 1} models of the conduction band in germanium crystals formed by hydrostatic or uniaxial pressure is investigated. On the basis of the theory of anisotropic scattering, the temperature dependences of the anisotropy parameter of the relaxation times and electron mobility for these models under conditions of scattering at impurity ions, as well as at acoustic and intervalley phonons are obtained. Analysis of the temperature dependences indicates that, in the temperature range of 77–300 K, intervalley scattering becomes substantial. Only for the Δ{sub 1} model formed by uniaxial pressure along the crystallographic direction [100], the electron scattering at intervalley phonons, which correspond to the g transitions, is minor with respect to scattering at acoustic phonons (the intravalley scattering) and impurity ions.

  7. Tailoring the conduction band of titanium oxide by doping tungsten for efficient electron injection in a sensitized photoanode.

    PubMed

    Cant, Alex M; Huang, Fuzhi; Zhang, Xiao Li; Chen, Yang; Cheng, Yi-Bing; Amal, Rose

    2014-04-01

    Aiming to overcome the current limits for dye-sensitized solar cells (DSSC) to reach a higher solar energy conversion efficiency, this work set out to investigate the feasibility of combining a variety of preparation techniques that can finely tailor the optical and electrochemical properties of the photoanode material. The obtained tungsten doped mesoporous titania spheres exhibited significant enhancements of photocurrent and open-circuit voltage leading to an over 15% increase in cell efficiency. With a single layer 12 μm film, the W-doped photoanode reached a solar energy conversion efficiency of 8.9% which is far greater than a 5.7% efficiency obtained by the photoanode film prepared from Degussa P25 TiO2 nanoparticles. This was greatly attributed to the superior light scattering effect from the mesostructure and the increased electron injection driving-force from the down-shifted conduction band after doping.

  8. Electronic structure of the conduction band upon the formation of ultrathin fullerene films on the germanium oxide surface

    NASA Astrophysics Data System (ADS)

    Komolov, A. S.; Lazneva, E. F.; Gerasimova, N. B.; Panina, Yu. A.; Baramygin, A. V.; Zashikhin, G. D.

    2016-06-01

    The results of the investigation of the electronic structure of the conduction band in the energy range 5-25 eV above the Fermi level E F and the interfacial potential barrier upon deposition of aziridinylphenylpyrrolofullerene (APP-C60) and fullerene (C60) films on the surface of the real germanium oxide ((GeO2)Ge) have been presented. The content of the oxide on the (GeO2)Ge surface has been determined using X-ray photoelectron spectroscopy. The electronic properties have been measured using the very low energy electron diffraction (VLEED) technique in the total current spectroscopy (TCS) mode. The regularities of the change in the fine structure of total current spectra (FSTCS) with an increase in the thickness of the APP-C60 and C60 coatings to 7 nm have been investigated. A comparison of the structures of the FSTCS maxima for the C60 and APP-C60 films has made it possible to reveal the energy range (6-10 eV above the Fermi level E F) in which the energy states are determined by both the π* and σ* states and the FSTCS spectra have different structures of the maxima for the APP-C60 and unsubstituted C60 films. The formation of the interfacial potential barrier upon deposition of APP-C60 and C60 on the (GeO2)Ge surface is accompanied by an increase in the work function of the surface E vac- E F by the value of 0.2-0.3 eV, which corresponds to the transfer of the electron density from the substrate to the organic films under investigation. The largest changes occur with an increase in the coating thickness to 3 nm, and with further deposition of APP-C60 and C60, the work function of the surface changes only slightly.

  9. Gd3+ spin-lattice relaxation via multi-band conduction electrons in Y(1-x)Gd(x)In3: an electron spin resonance study.

    PubMed

    Cabrera-Baez, M; Iwamoto, W; Magnavita, E T; Osorio-Guillén, J M; Ribeiro, R A; Avila, M A; Rettori, C

    2014-04-30

    Interest in the electronic structure of the intermetallic compound YIn3 has been renewed with the recent discovery of superconductivity at T ∼ 1 K, which may be filamentary in nature. In this work we perform electron spin resonance (ESR) experiments on Gd(3+) doped YIn3 (Y1-xGdxIn3; 0.001 ⪅ x ⩽̸ 0.08), showing that the spin-lattice relaxation of the Gd(3+) ions, due to the exchange interaction between the Gd(3+) localized magnetic moment and the conduction electrons (ce), is processed via the presence of s-, p- and d-type ce at the YIn3 Fermi level. These findings are revealed by the Gd(3+) concentration dependence of the Korringa-like relaxation rate d(ΔH)/dT and g-shift (Δg = g - 1.993), that display bottleneck relaxation behavior for the s-electrons and unbottleneck behavior for the p- and d-electrons. The Korringa-like relaxation rates vary from 22(2) Oe/K for x ⪅ 0.001 to 8(2) Oe/K for x = 0.08 and the g-shift values change, respectively, from a positive Δg = +0.047(10) to a negative Δg = -0.008(4). Analysis in terms of a three-band ce model allows the extraction of the corresponding exchange interaction parameters Jfs, Jfp and Jfd.

  10. Subterahertz self-oscillations of depletion of electron populations in the conduction band of GaAs in the presence of pumping and intrinsic stimulated radiation

    SciTech Connect

    Ageeva, N. N.; Bronevoi, I. L. Zabegaev, D. N.; Krivonosov, A. N.

    2010-09-15

    It was previously found that, during picosecond optical pumping, ultrafast interrelated self-modulations of fundamental absorption of light and intrinsic stimulated picosecond radiation emerge in GaAs. In this study, quantitative evaluations confirming the assumption that the mentioned self-modulations are caused by self-oscillations of depletion of electron populations in the conduction band are made. The relation for the frequency of self-oscillations of depletion of populations is obtained. The presence of conditions for self-organization leading to the emergence of periodic nonlinear waves in nonequilibrium media, which is photogenerated electron-hole plasma with depletions of populations, is shown. As a result, in a series of studies, including this one, it is found that the collective excitation of charge carriers-self-oscillations of depletion of populations of the conduction band-emerges during pumping in GaAs under the effect of intrinsic stimulated radiation.

  11. Fowler-Nordheim tunneling and conduction-band discontinuity in GaAs/GaAsAl high electron mobility transistor structures

    NASA Astrophysics Data System (ADS)

    Smoliner, J.; Christanell, R.; Hauser, M.; Gornik, E.; Weimann, G.

    1987-06-01

    Oscillatory structure is observed in the dI/dV characteristics of conventional GaAs/GaAlAs high electron mobility transistor samples at liquid-helium temperature, which can be explained using a Fowler-Nordheim tunneling theory. The position of the oscillations allows a determination of the conduction-band discontinuity, and the depth of the deep donor levels in the GaAlAs for high aluminum concentrations. The fit of the data gives a value of Delta Ec/Delta Eg = 0.61 + or - 0.04 for aluminum concentration 30, 36, and 40 percent. The deep donor level in the GaAlAs was determined to be 130 meV below the conduction band.

  12. Conduction-band edge dependence of carbon-coated hematite stimulated extracellular electron transfer of Shewanella oneidensis in bioelectrochemical systems.

    PubMed

    Zhou, Shungui; Tang, Jiahuan; Yuan, Yong

    2015-04-01

    Bacteria-based bioelectrochemical systems (BESs) are promising technologies used for alternative energy generation, wastewater treatment, and environmental monitoring. However, their practical application is limited by the bioelectrode performance, mainly resulting from low extracellular electron transfer (EET) efficiency. In this study, a carbon-coated hematite (C/Hematite) electrode was successfully obtained by a green and solvent-free route, that is, heat treatment in an oxygen-rich environment using solid ferrocene as the precursor. The as-prepared C/Hematite electrode was evaluated as a high-performance electrode material in a Shewanella oneidensis-inoculated BES. The maximum biocurrent density of the Shewanella-attached C/Hematite electrode reached 0.22 ± 0.01 mA cm(-2), which is nearly 6-times higher than that of a bare carbon cloth (CC) electrode (0.036 ± 0.005 mA cm(-2)). Electrochemical measurements revealed that the enhanced conductivity and better energy matching between the outer membrane c-type cytochromes of S. oneidensis and the electrode contributed to the improved EET efficiency. The results of this study demonstrated that the semiconductive properties of iron oxides play important roles for the involved bacterial extracellular respiration activities.

  13. Magneto-optical studies of Gd-implanted GaN: No spin alignment of conduction band electrons

    NASA Astrophysics Data System (ADS)

    Buß, J. H.; Rudolph, J.; Shvarkov, S.; Semond, F.; Reuter, D.; Wieck, A. D.; Hägele, D.

    2013-08-01

    Gd-implanted wurtzite GaN as a candidate for a ferromagnetic dilute magnetic semiconductor is investigated by time-resolved magneto-optical spectroscopy. We observe a strong increase of the electron spin lifetimes for increasing Gd doses, while the electron spin Larmor precession frequency is independent of the Gd concentration. These findings are well explained by carrier localization at defects and a negligible interaction with Gd ions. The data show that Gd-implanted GaN cannot be used for an electron spin aligner.

  14. Electronic structure of the conduction band of the interface region of ultrathin films of substituted perylenedicarboximides and the germanium oxide surface

    NASA Astrophysics Data System (ADS)

    Komolov, A. S.; Lazneva, E. F.; Gerasimova, N. B.; Panina, Yu. A.; Baramygin, A. V.; Pshenichnyuk, S. A.

    2016-09-01

    The results of the investigation of the electronic structure of the conduction band and the interfacial potential barrier during the formation of interfaces of dioctyl-substituted perylenedicarboximide (PTCDI-C8) and diphenyl-substituted perylenedicarboximide (PTCDI-Ph) ultrathin films with the oxidized germanium surface have been presented. The experimental results have been obtained using the very low energy electron diffraction (VLEED) technique in the total current spectroscopy (TCS) mode at energies in the range from 5 to 20 eV above the Fermi level E F. The positions of the maxima of the fine structure of total current spectra (FSTCS) of the PTCDI-C8 and PTCDI-Ph films differ significantly in the energy range from 9 to 20 eV above the Fermi level E F, which can be associated with the difference between the substituents of the chosen molecules, dioctyl- and diphenyl-, respectively. At the same time, the positions of the lowenergy maxima in the FSTCS spectra at an energy 6-7 eV above the Fermi level E F for the PTCDI-C8 and PTCDI-Ph films almost coincide with each other. It has been suggested that these maxima are attributed to the electronic states of the perylene core of the molecules under investigation. The process of the formation of interfacial potential barriers of the PTCDI-C8 and PTCDI-Ph films with the oxidized germanium surface has been analyzed. It has been found that the work functions of the surface, E vac- E F, differ little from 4.6 ± 0.1 eV over the entire range of organic coating thicknesses from 0 to 6 nm.

  15. Conduction-band electronic states of YbInCu{sub 4} studied by photoemission and soft x-ray absorption spectroscopies

    SciTech Connect

    Utsumi, Yuki; Kurihara, Hidenao; Maso, Hiroyuki; Tobimatsu, Komei; Sato, Hitoshi; Shimada, Kenya; Namatame, Hirofumi; Hiraoka, Koichi; Kojima, Kenichi; Ohkochi, Takuo; Fujimori, Shin-ichi; Takeda, Yukiharu; Saitoh, Yuji; Mimura, Kojiro; Ueda, Shigenori; Yamashita, Yoshiyuki; Yoshikawa, Hideki; Kobayashi, Keisuke; Oguchi, Tamio; Taniguchi, Masaki

    2011-09-15

    We have studied conduction-band (CB) electronic states of a typical valence-transition compound YbInCu{sub 4} by means of temperature-dependent hard x-ray photoemission spectroscopy (HX-PES) of the Cu 2p{sub 3/2} and In 3d{sub 5/2} core states taken at h{nu}=5.95 keV, soft x-ray absorption spectroscopy (XAS) of the Cu 2p{sub 3/2} core absorption region around h{nu}{approx}935 eV, and soft x-ray photoemission spectroscopy (SX-PES) of the valence band at the Cu 2p{sub 3/2} absorption edge of h{nu}=933.0 eV. With decreasing temperature below the valence transition at T{sub V}=42 K, we have found that (1) the Cu 2p{sub 3/2} and In 3d{sub 5/2} peaks in the HX-PES spectra exhibit the energy shift toward the lower binding-energy side by {approx}40 and {approx}30 meV, respectively, (2) an energy position of the Cu 2p{sub 3/2} main absorption peak in the XAS spectrum is shifted toward higher photon-energy side by {approx}100 meV, with an appearance of a shoulder structure below the Cu 2p{sub 3/2} main absorption peak, and (3) an intensity of the Cu L{sub 3}VV Auger spectrum is abruptly enhanced. These experimental results suggest that the Fermi level of the CB-derived density of states is shifted toward the lower binding-energy side. We have described the valence transition in YbInCu{sub 4} in terms of the charge transfer from the CB to Yb 4f states.

  16. Analysis of energy states of two-dimensional electron gas in pseudomorphically strained InSb high-electron-mobility transistors taking into account the nonparabolicity of the conduction band

    NASA Astrophysics Data System (ADS)

    Nishio, Yui; Sato, Takato; Hirayama, Naomi; Iida, Tsutomu; Takanashi, Yoshifumi

    2016-08-01

    We propose a high electron mobility transistor with a pseudomorphically strained InSb channel (InSb-PHEMT) having an InSb composite channel layer in which the Al y In1‑ y Sb sub-channel layer is inserted between the InSb channel and the Al x In1‑ x Sb barrier layers to increase the conduction-band offset (ΔE C) at the heterointerface between the InSb channel and the Al x In1‑ x Sb barrier layers. The energy states for the proposed InSb-PHEMTs are calculated using our analytical method, taking account of the nonparabolicity of the conduction band. For the proposed InSb-PHEMTs, putting the sub-channel layers into the channel is found to be effective for obtaining a sufficiently large ΔE C (∼0.563 eV) to restrain electrons in the channel and increase the sheet concentration of two-dimensional electron gas to as high as 2.5 × 1012 cm‑2, which is comparable to that of InAs-PHEMTs. This also leads to a large transconductance of PHEMTs. In the proposed InSb-PHEMTs, electrons are strongly bound to the channel layer compared with InAs-PHEMTs, despite the effective mass at the conduction band (0.0139 m 0) of InSb being smaller than that of InAs and ΔE C for the InSb-PHEMTs being 25% smaller than that for the InAs-PHEMTs. This is because the bandgap energy of InSb is about one-half that of InAs, and hence, the nonparabolicity parameter of InSb is about twice as large as that of InAs.

  17. Analysis of energy states of two-dimensional electron gas in pseudomorphically strained InSb high-electron-mobility transistors taking into account the nonparabolicity of the conduction band

    NASA Astrophysics Data System (ADS)

    Nishio, Yui; Sato, Takato; Hirayama, Naomi; Iida, Tsutomu; Takanashi, Yoshifumi

    2016-08-01

    We propose a high electron mobility transistor with a pseudomorphically strained InSb channel (InSb-PHEMT) having an InSb composite channel layer in which the Al y In1- y Sb sub-channel layer is inserted between the InSb channel and the Al x In1- x Sb barrier layers to increase the conduction-band offset (ΔE C) at the heterointerface between the InSb channel and the Al x In1- x Sb barrier layers. The energy states for the proposed InSb-PHEMTs are calculated using our analytical method, taking account of the nonparabolicity of the conduction band. For the proposed InSb-PHEMTs, putting the sub-channel layers into the channel is found to be effective for obtaining a sufficiently large ΔE C (˜0.563 eV) to restrain electrons in the channel and increase the sheet concentration of two-dimensional electron gas to as high as 2.5 × 1012 cm-2, which is comparable to that of InAs-PHEMTs. This also leads to a large transconductance of PHEMTs. In the proposed InSb-PHEMTs, electrons are strongly bound to the channel layer compared with InAs-PHEMTs, despite the effective mass at the conduction band (0.0139 m 0) of InSb being smaller than that of InAs and ΔE C for the InSb-PHEMTs being 25% smaller than that for the InAs-PHEMTs. This is because the bandgap energy of InSb is about one-half that of InAs, and hence, the nonparabolicity parameter of InSb is about twice as large as that of InAs.

  18. Electronic structure calculations on helical conducting polymers.

    PubMed

    Ripoll, Juan D; Serna, Andrei; Guerra, Doris; Restrepo, Albeiro

    2010-10-21

    We present a study of the electronic structure and derived properties of polyfurane (PFu), polypyrrol (PPy), and polythiophene (PTh). Two spatial arrangements are considered: trans chain (tc-PFu, tc-PPy, tc-PTh) and cis α-helical (α-PFu, α-PPy, α-PTh). Even at the small sizes considered here, helical conformations appear to be stable. Band gaps of pure, undoped oligomers fall into the semiconductor range. Density of states (DOS) analysis suggest dense valence and conduction bands. Bond length alternation analysis predicts almost complete delocalization of the π clouds in all spatial arrangements. Doping with electron donors or electron-withdrawing impurities reduces all band gaps close to the metallic regime in addition to increasing the DOS for the valence and conduction bands.

  19. Ballistic-electron-emission spectroscopy of Al{sub x}Ga{sub 1{minus}x}As/GaAs heterostructures: Conduction-band offsets, transport mechanisms, and band-structure effects

    SciTech Connect

    OShea, J.J.; Brazel, E.G.; Rubin, M.E.; Bhargava, S.; Chin, M.A.; Narayanamurti, V.

    1997-07-01

    We report an extensive investigation of semiconductor band-structure effects in single-barrier Al{sub x}Ga{sub 1{minus}x}As/GaAs heterostructures using ballistic-electron-emission spectroscopy (BEES). The transport mechanisms in these single-barrier structures were studied systematically as a function of temperature and Al composition over the full compositional range (0{le}x{le}1). The initial ({Gamma}) BEES thresholds for Al{sub x}Ga{sub 1{minus}x}As single barriers with 0{le}x{le}0.42 were extracted using a model which includes the complete transmission probability of the metal-semiconductor interface and the semiconductor heterostructure. Band offsets measured by BEES are in good agreement with previous measurements by other techniques which demonstrates the accuracy of this technique. BEES measurements at 77 K give the same band-offset values as at room temperature. When a reverse bias is applied to the heterostructures, the BEES thresholds shift to lower voltages in good agreement with the expected bias-induced band-bending. In the indirect band-gap regime ({ital x}{gt}0.45), spectra show a weak ballistic-electron-emission microscopy current contribution due to intervalley scattering through Al{sub x}Ga{sub 1{minus}x}As {ital X} valley states. Low-temperature spectra show a marked reduction in this intervalley current component, indicating that intervalley phonon scattering at the GaAs/Al{sub x}Ga{sub 1{minus}x}As interface produces a significant fraction of this{ital X} valley current. A comparison of the BEES thresholds with the expected composition dependence of the Al{sub x}Ga{sub 1{minus}x}As {Gamma}, {ital L}, and {ital X} points yields good agreement over the entire composition range. {copyright} {ital 1997} {ital The American Physical Society}

  20. The sensitivity of the electron transport within bulk zinc-blende gallium nitride to variations in the crystal temperature, the doping concentration, and the non-parabolicity coefficient associated with the lowest energy conduction band valley

    NASA Astrophysics Data System (ADS)

    Siddiqua, Poppy; O'Leary, Stephen K.

    2016-09-01

    Within the framework of a semi-classical three-valley Monte Carlo simulation approach, we analyze the steady-state and transient electron transport that occurs within bulk zinc-blende gallium nitride. In particular, we examine how the steady-state and transient electron transport that occurs within this material changes in response to variations in the crystal temperature, the doping concentration, and the non-parabolicity coefficient associated with the lowest energy conduction band valley. These results are then contrasted with those corresponding to a number of other compound semiconductors of interest.

  1. Electron currents associated with an auroral band

    NASA Technical Reports Server (NTRS)

    Spiger, R. J.; Anderson, H. R.

    1975-01-01

    Measurements of electron pitch angle distributions and energy spectra over a broad auroral band were used to calculate net electric current carried by auroral electrons in the vicinity of the band. The particle energy spectrometers were carried by a Nike-Tomahawk rocket launched from Poker Flat, Alaska, at 0722 UT on February 25, 1972. Data are presented which indicate the existence of upward field-aligned currents of electrons in the energy range 0.5-20 keV. The spatial relationship of these currents to visual structure of the auroral arc and the characteristics of the electrons carrying the currents are discussed.

  2. Electron heat conductivity of epitaxial graphene on silicon carbide

    NASA Astrophysics Data System (ADS)

    Alisultanov, Z. Z.; Meilanov, R. P.

    2016-08-01

    The diagonal component of the electron heat conductivity tensor of epitaxial graphene formed in a semiconductor has been investigated within a simple analytical model. It is shown that the heat conductivity sharply changes at a chemical potential close to the substrate band gap edge. Low-temperature expressions for the heat conductivity are derived.

  3. Numerical study of the periodic Anderson model with a quarter-filled conduction band

    NASA Astrophysics Data System (ADS)

    Yang, Shuxiang; Moreno, Juana; Jarrell, Mark

    2015-03-01

    Using the dynamical cluster approximation with continuous-time quantum Monte Carlo as the cluster solver and the recently introduced dual-fermion method, we study the underlying physics of the periodic Anderson model where the conduction band is near quarter-filling while the f-band electron band is half filled. For these parameters, the RKKY coupling changes its nature from ferromagnetic to anti-ferromagnetic, yielding an interesting phase-diagram. Especially, we find the charge ordering of the conduction band is strongly enhanced, which could be due to the proximity to a quantum critical point.

  4. Impact of cation-based localized electronic states on the conduction and valence band structure of Al{sub 1−x}In{sub x}N alloys

    SciTech Connect

    Schulz, S.; Caro, M. A.; O'Reilly, E. P.

    2014-04-28

    We demonstrate that cation-related localized states strongly perturb the band structure of Al{sub 1−x}In{sub x}N leading to a strong band gap bowing at low In content. Our first-principles calculations show that In-related localized states are formed both in the conduction and the valence band in Al{sub 1−x}In{sub x}N for low In composition, x, and that these localized states dominate the evolution of the band structure with increasing x. Therefore, the commonly used assumption of a single composition-independent bowing parameter breaks down when describing the evolution both of the conduction and of the valence band edge in Al{sub 1−x}In{sub x}N.

  5. Anisotropic electronic conduction in stacked two-dimensional titanium carbide.

    PubMed

    Hu, Tao; Zhang, Hui; Wang, Jiemin; Li, Zhaojin; Hu, Minmin; Tan, Jun; Hou, Pengxiang; Li, Feng; Wang, Xiaohui

    2015-11-09

    Stacked two-dimensional titanium carbide is an emerging conductive material for electrochemical energy storage which requires an understanding of the intrinsic electronic conduction. Here we report the electronic conduction properties of stacked Ti3C2T2 (T = OH, O, F) with two distinct stacking sequences (Bernal and simple hexagonal). On the basis of first-principles calculations and energy band theory analysis, both stacking sequences give rise to metallic conduction with Ti 3d electrons contributing most to the conduction. The conduction is also significantly anisotropic due to the fact that the effective masses of carriers including electrons and holes are remarkably direction-dependent. Such an anisotropic electronic conduction is evidenced by the I-V curves of an individual Ti3C2T2 particulate, which demonstrates that the in-plane electrical conduction is at least one order of magnitude higher than that vertical to the basal plane.

  6. Anisotropic electronic conduction in stacked two-dimensional titanium carbide

    PubMed Central

    Hu, Tao; Zhang, Hui; Wang, Jiemin; Li, Zhaojin; Hu, Minmin; Tan, Jun; Hou, Pengxiang; Li, Feng; Wang, Xiaohui

    2015-01-01

    Stacked two-dimensional titanium carbide is an emerging conductive material for electrochemical energy storage which requires an understanding of the intrinsic electronic conduction. Here we report the electronic conduction properties of stacked Ti3C2T2 (T = OH, O, F) with two distinct stacking sequences (Bernal and simple hexagonal). On the basis of first-principles calculations and energy band theory analysis, both stacking sequences give rise to metallic conduction with Ti 3d electrons contributing most to the conduction. The conduction is also significantly anisotropic due to the fact that the effective masses of carriers including electrons and holes are remarkably direction-dependent. Such an anisotropic electronic conduction is evidenced by the I−V curves of an individual Ti3C2T2 particulate, which demonstrates that the in-plane electrical conduction is at least one order of magnitude higher than that vertical to the basal plane. PMID:26548439

  7. Self-Consistent Calculation of the correct Band-Gap and Low Energy Conduction Bands in Gallium-Nitride

    NASA Astrophysics Data System (ADS)

    Zhao, G. L.; Bagayoko, D.; Fan, J. D.

    1998-03-01

    The III-V nitrides are viewed as new semiconductors for optoelectronic applications in the blue and UV wavelengths and, more recently, as high-power, high-temperature electronic devices. However, a reliable prediction of the band gap and the low energy conduction bands had, until now, remained a problem in ab initio computations. A spurious effect of the variational procedure and of basis sets is shown to be a source of this problem. We present first principle computational steps that avoid this effect. We applied our new approach to calculate the electronic structure of III-V gallium-nitride using a local density approximation (LDA) for the exchange-correlation potential. Our calculated electronic structure and band gap, for an optimum basis set, agree qualitatively and quantitatively with experiment. *Work supported in part by funding from the Department of the Navy, Office of Naval Research (ONR), and from the Physics Graduate Program at Southern University and A & M College.

  8. F-electron systems: Pushing band theory

    SciTech Connect

    Koelling, D.D.

    1990-08-01

    The f-electron orbitals have always been the incomplete atomic shell acting as a local moment weakly interacting with the remaining electronic structure'' in the minds of most people. So examining them using a band theory where one views them as itinerant once was -- and to some extent even today still is -- considered with some skepticism. Nonetheless, a very significant community has successfully utilized band theory as a probe of the electronic structure of the appropriate actinides and rare earths. Those people actually using the approach would be the first to declare that it is not the whole solution. Instead, one is pushing and even exceeding its limits of applicability. However, the appropriate procedure is to push the model consistently to its limits, patch where possible, and then look to see where discrepancies remain. I propose to offer a selected review of past developments (emphasizing the career to date of A. J. Freeman in this area), offer a list of interesting puzzles for the future, and then make some guesses as to the techniques one might want to use. 27 refs.

  9. Electronic conduction in liquid boron

    NASA Astrophysics Data System (ADS)

    Glorieux, B.; Saboungi, M. L.; Enderby, J. E.

    2001-10-01

    The electrical conductivity of levitated liquid elemental boron was measured near the melting point using a contactless electrical conductivity technique. A phase change is clearly detected in the course of laser heating of a 2 mm diameter boron sphere levitated aerodynamically. The value obtained for the electrical conductivity sets liquid boron among the liquid semiconductors and establishes that the semiconducting behavior survives the melting process contradicting an earlier report that a semiconductor-to-metal transition occurs.

  10. Mixed ionic and electronic conductivity in polymers

    SciTech Connect

    Shriver, D.F.

    1991-06-01

    New polymer films were synthesized that are mixed ionic-electronic conductors. Preliminary ion transport measurements have been made on these materials in the reduced state where electronic conductivity is negligible. We also have made preliminary measurements of switching times for these materials. Theoretical studies have been performed ion pairing in insulating and electronically conducting films.

  11. On nonlocal electron heat conduction

    SciTech Connect

    Krasheninnikov, S.I. )

    1993-01-01

    An improvement of the Albritton nonlocal electron heat transport model is proposed for high-[ital Z] plasmas. The thermal decay of the temperature perturbation in a uniform plasma as calculated by this model is compared with that obtained by Fokker--Planck simulations. Complete agreement is found up to values [ital k][lambda][sub [ital e

  12. Spin susceptibility of Anderson impurities in arbitrary conduction bands

    NASA Astrophysics Data System (ADS)

    Fang, Tie-Feng; Tong, Ning-Hua; Cao, Zhan; Sun, Qing-Feng; Luo, Hong-Gang

    2015-10-01

    Spin susceptibility of Anderson impurities is a key quantity in understanding the physics of Kondo screening. Traditional numerical renormalization group (NRG) calculation of the impurity contribution χimp to susceptibility, defined originally by Wilson in a flat wide band, has been generalized before to structured conduction bands. The results brought about non-Fermi-liquid and diamagnetic Kondo behaviors in χimp, even when the bands are not gapped at the Fermi energy. Here, we use the full density-matrix (FDM) NRG to present high-quality data for the local susceptibility χloc and to compare them with χimp obtained by the traditional NRG. Our results indicate that those exotic behaviors observed in χimp are unphysical. Instead, the low-energy excitations of the impurity in arbitrary bands only without gap at the Fermi energy are still a Fermi liquid and paramagnetic. We also demonstrate that unlike the traditional NRG yielding χloc less accurate than χimp, the FDM method allows a high-precision dynamical calculation of χloc at much reduced computational cost, with an accuracy at least one order higher than χimp. Moreover, artifacts in the FDM algorithm to χimp and origins of the spurious non-Fermi-liquid and diamagnetic features are clarified. Our work provides an efficient high-precision algorithm to calculate the spin susceptibility of impurity for arbitrary structured bands, while negating the applicability of Wilson's definition to such cases.

  13. Electronic materials with a wide band gap: recent developments

    PubMed Central

    Klimm, Detlef

    2014-01-01

    The development of semiconductor electronics is reviewed briefly, beginning with the development of germanium devices (band gap E g = 0.66 eV) after World War II. A tendency towards alternative materials with wider band gaps quickly became apparent, starting with silicon (E g = 1.12 eV). This improved the signal-to-noise ratio for classical electronic applications. Both semiconductors have a tetrahedral coordination, and by isoelectronic alternative replacement of Ge or Si with carbon or various anions and cations, other semiconductors with wider E g were obtained. These are transparent to visible light and belong to the group of wide band gap semiconductors. Nowadays, some nitrides, especially GaN and AlN, are the most important materials for optical emission in the ultraviolet and blue regions. Oxide crystals, such as ZnO and β-Ga2O3, offer similarly good electronic properties but still suffer from significant difficulties in obtaining stable and technologically adequate p-type conductivity. PMID:25295170

  14. Production of photocurrent due to intermediate-to-conduction-band transitions: a demonstration of a key operating principle of the intermediate-band solar cell.

    PubMed

    Martí, A; Antolín, E; Stanley, C R; Farmer, C D; López, N; Díaz, P; Cánovas, E; Linares, P G; Luque, A

    2006-12-15

    We present intermediate-band solar cells manufactured using quantum dot technology that show for the first time the production of photocurrent when two sub-band-gap energy photons are absorbed simultaneously. One photon produces an optical transition from the intermediate-band to the conduction band while the second pumps an electron from the valence band to the intermediate-band. The detection of this two-photon absorption process is essential to verify the principles of operation of the intermediate-band solar cell. The phenomenon is the cornerstone physical principle that ultimately allows the production of photocurrent in a solar cell by below band gap photon absorption, without degradation of its output voltage. PMID:17280325

  15. Inter-Valence-Subband/Conduction-Band-Transport IR Detectors

    NASA Technical Reports Server (NTRS)

    Ting, David; Gunapala, Sarath; Bandara, Sumith

    2004-01-01

    Infrared (IR) detectors characterized by a combination of (1) high-quantum-efficiency photoexcitation of inter-valence-subband transitions of charge carriers and (2) high-mobility conduction- band transport of the thus-excited charge carriers have been proposed in an effort to develop focal-plane arrays of such devices for infrared imaging. Like many prior quantum-well infrared photodetectors (QWIPs), the proposed devices would be made from semiconductor heterostructures. In order to obtain the combination of characteristics mentioned above, the proposed devices would be designed and fabricated in novel InAs/GaSb superlattice configurations that would exploit a phenomenon known in the semiconductor art as type-II broken-gap band offset.

  16. The Electronic Thermal Conductivity of Graphene.

    PubMed

    Kim, Tae Yun; Park, Cheol-Hwan; Marzari, Nicola

    2016-04-13

    Graphene, as a semimetal with the largest known thermal conductivity, is an ideal system to study the interplay between electronic and lattice contributions to thermal transport. While the total electrical and thermal conductivity have been extensively investigated, a detailed first-principles study of its electronic thermal conductivity is still missing. Here, we first characterize the electron-phonon intrinsic contribution to the electronic thermal resistivity of graphene as a function of doping using electronic and phonon dispersions and electron-phonon couplings calculated from first-principles at the level of density-functional theory and many-body perturbation theory (GW). Then, we include extrinsic electron-impurity scattering using low-temperature experimental estimates. Under these conditions, we find that the in-plane electronic thermal conductivity κe of doped graphene is ∼300 W/mK at room temperature, independently of doping. This result is much larger than expected and comparable to the total thermal conductivity of typical metals, contributing ∼10% to the total thermal conductivity of bulk graphene. Notably, in samples whose physical or domain sizes are of the order of few micrometers or smaller, the relative contribution coming from the electronic thermal conductivity is more important than in the bulk limit, because lattice thermal conductivity is much more sensitive to sample or grain size at these scales. Last, when electron-impurity scattering effects are included we find that the electronic thermal conductivity is reduced by 30 to 70%. We also find that the Wiedemann-Franz law is broadly satisfied at low and high temperatures but with the largest deviations of 20-50% around room temperature.

  17. Conductivity measurements in a shear-banding wormlike micellar system.

    PubMed

    Photinos, Panos J; López-González, M R; Hoven, Corey V; Callaghan, Paul T

    2010-07-01

    Shear banding in the cetylpyridinium chloride/sodium salicylate micellar system is investigated using electrical conductivity measurements parallel to the velocity and parallel to the vorticity in a cylindrical Couette cell. The measurements show that the conductivity parallel to the velocity (vorticity) increases (decreases) monotonically with applied shear rate. The shear-induced anisotropy is over one order of magnitude lower than the anisotropy of the N(c) nematic phase. The steady-state conductivity measurements indicate that the anisotropy of the shear induced low-viscosity (high shear rate) phase is not significantly larger than the anisotropy of the high viscosity (low shear rate) phase. We estimate that the micelles in the shear induced low viscosity band are relatively short, with a characteristic length to diameter ratio of 5-15. The relaxation behavior following the onset of shear is markedly different above and below the first critical value γ1, in agreement with results obtained by other methods. The transient measurements show that the overall anisotropy of the sample decreases as the steady state is approached, i.e., the micellar length/the degree of order decrease.

  18. Electronic structure of hydrogenated diamond: Microscopical insight into surface conductivity

    NASA Astrophysics Data System (ADS)

    Iacobucci, S.; Alippi, Paola; Calvani, P.; Girolami, M.; Offi, F.; Petaccia, L.; Trucchi, D. M.

    2016-07-01

    We have correlated the surface conductivity of hydrogen-terminated diamond to the electronic structure in the Fermi region. Significant density of electronic states (DOS) in proximity of the Fermi edge has been measured by photoelectron spectroscopy (PES) on surfaces exposed to air, corresponding to a p -type electric conductive regime, while upon annealing a depletion of the DOS has been achieved, resembling the diamond insulating state. The surface and subsurface electronic structure has been determined, exploiting the different probing depths of PES applied in a photon energy range between 7 and 31 eV. Ab initio density functional calculations including surface charge depletion and band-bending effects favorably compare with electronic states measured by angular-resolved photoelectron spectroscopy. Such states are organized in the energy-momentum space in a twofold structure: one, bulk-derived, band disperses in the Γ -X direction with an average hole effective mass of (0.43 ±0.02 ) m0 , where m0 is the bare electron mass; a second flatter band, with an effective mass of (2.2 ±0.9 ) m0 , proves that a hole gas confined in the topmost layers is responsible for the conductivity of the (2 ×1 ) hydrogen-terminated diamond (100 ) surface.

  19. Electronically conducting polymers with silver grains

    NASA Technical Reports Server (NTRS)

    Murphy, Oliver J. (Inventor); Hitchens, G. Duncan (Inventor); Hodko, Dolibor (Inventor)

    1999-01-01

    The present invention provides electronically conducting polymer films formed from photosensitive formulations of pyrrole and an electron acceptor that have been selectively exposed to UV light, laser light, or electron beams. The formulations may include photoinitiators, flexibilizers, solvents and the like. These solutions can be used in applications including printed circuit boards and through-hole plating and enable direct metallization processes on non-conducting substrates. After forming the conductive polymer patterns, a printed wiring board can be formed by sensitizing the polymer with palladium and electrolytically depositing copper.

  20. Tuning the electronic band gap of graphene by oxidation

    SciTech Connect

    Dabhi, Shweta D.; Jha, Prafulla K.

    2015-06-24

    Using plane wave pseudo potential density functional theory, we studied the electronic properties of graphene with different C:O ratio. In this work, we discussed the changes that occur in electronic band structure of graphene functionalized with different amount of epoxy group. Electronic band gap depends on C:O ratio in graphene oxide containing epoxy group. The present work will have its implication for making devices with tunable electronic properties by oxidizing graphene.

  1. Device Physics Analysis of Parasitic Conduction Band Barrier Formation in SiGe HBTs

    NASA Technical Reports Server (NTRS)

    Roenker, K. P.; Alterovitz, S. A.

    2000-01-01

    This paper presents a physics-based model describing the current-induced formation of a parasitic barrier in the conduction band at the base collector heterojunction in npn SiGe heterojunction bipolar transistors (HBTs). Due to the valence band discontinuity DELTA E(sub v), hole injection into the collector at the onset of base pushout is impeded, which gives rise to formation of a barrier to electron transport which degrades the device's high frequency performance. In this paper, we present results from an analytical model for the height of the barrier calculated from the device's structure as a function of the collector junction bias and collector current density.

  2. Convergence of electronic bands for high performance bulk thermoelectrics.

    PubMed

    Pei, Yanzhong; Shi, Xiaoya; LaLonde, Aaron; Wang, Heng; Chen, Lidong; Snyder, G Jeffrey

    2011-05-01

    Thermoelectric generators, which directly convert heat into electricity, have long been relegated to use in space-based or other niche applications, but are now being actively considered for a variety of practical waste heat recovery systems-such as the conversion of car exhaust heat into electricity. Although these devices can be very reliable and compact, the thermoelectric materials themselves are relatively inefficient: to facilitate widespread application, it will be desirable to identify or develop materials that have an intensive thermoelectric materials figure of merit, zT, above 1.5 (ref. 1). Many different concepts have been used in the search for new materials with high thermoelectric efficiency, such as the use of nanostructuring to reduce phonon thermal conductivity, which has led to the investigation of a variety of complex material systems. In this vein, it is well known that a high valley degeneracy (typically ≤6 for known thermoelectrics) in the electronic bands is conducive to high zT, and this in turn has stimulated attempts to engineer such degeneracy by adopting low-dimensional nanostructures. Here we demonstrate that it is possible to direct the convergence of many valleys in a bulk material by tuning the doping and composition. By this route, we achieve a convergence of at least 12 valleys in doped PbTe(1-x)Se(x) alloys, leading to an extraordinary zT value of 1.8 at about 850 kelvin. Band engineering to converge the valence (or conduction) bands to achieve high valley degeneracy should be a general strategy in the search for and improvement of bulk thermoelectric materials, because it simultaneously leads to a high Seebeck coefficient and high electrical conductivity.

  3. Engineering the Electronic Band Structure for Multiband Solar Cells

    SciTech Connect

    Lopez, N.; Reichertz, L.A.; Yu, K.M.; Campman, K.; Walukiewicz, W.

    2010-07-12

    Using the unique features of the electronic band structure of GaNxAs1-x alloys, we have designed, fabricated and tested a multiband photovoltaic device. The device demonstrates an optical activity of three energy bands that absorb, and convert into electrical current, the crucial part of the solar spectrum. The performance of the device and measurements of electroluminescence, quantum efficiency and photomodulated reflectivity are analyzed in terms of the Band Anticrossing model of the electronic structure of highly mismatched alloys. The results demonstrate the feasibility of using highly mismatched alloys to engineer the semiconductor energy band structure for specific device applications.

  4. Electrically conductive and thermally conductive materials for electronic packaging

    NASA Astrophysics Data System (ADS)

    Liu, Zongrong

    The aim of this dissertation is to develop electrically or thermally conductive materials that are needed for electronic packaging and microelectronic cooling. These materials are in the form of coatings and are made from pastes. The research work encompasses paste formulation, studying the process of converting a paste to a conductive material, relating the processing conditions to the structure and performance, and evaluating performance attributes that are relevant to the application of these conductive materials. The research has resulted in new information that is valuable to the microelectronic industry. Work on electrically conductive materials emphasizes the development of electrical interconnection materials in the form of air-firable glass-free silver-based electrically conductive thick films, which use the Ti-Al alloy as the binder and are in contrast to conventional films that use glass as the binder. The air-firability, as enabled by minor additions of tin and zinc to the paste, is in contrast to previous glass-free films that are not firable. The recommended firing condition is 930°C in air. The organic vehicle in the paste comprises ethyl cellulose, which undergoes thermal decomposition during burnout of the paste. The ethyl cellulose is dissolved in ether, which facilitates the burnout. Excessive ethyl cellulose hinders the burnout. A higher heating rate results in more residue after burnout. The presence of silver particles facilitates drying and burnout. Firing in air gives lower resistivity than firing in oxygen. Firing in argon gives poor films. Compared to conventional films that use glass as the binder, these films, when appropriately fired, exhibit lower electrical resistivity (2.5 x 10-6 O.cm) and higher scratch resistance. Work on thermally conductive materials addresses thermal interface materials, which are materials placed at the interface between a heat sink and a heat source for the purpose of improving the thermal contact. Heat

  5. The electronic structure of heavy fermions: Narrow temperature independent bands

    SciTech Connect

    Arko, A.J.; Joyce, J.J.; Smith, J.L.; Andrews, A.B.

    1996-08-01

    The electronic structure of both Ce and U heavy fermions appears to consist of extremely narrow temperature independent bands. There is no evidence from photoemission for a collective phenomenon normally referred to as the Kondo resonance. In uranium compounds a small dispersion of the bands is easily measurable.

  6. Electronic band structure of surface-doped black phosphorus

    NASA Astrophysics Data System (ADS)

    Kim, Jimin; Ryu, Sae Hee; Sohn, Yeongsup; Kim, Keun Su

    2015-03-01

    There are rapidly growing interests in the study of few-layer black phosphorus owing to its promising device characteristics that may impact our future electronics technology. The low-energy band structure of black phosphorus has been widely predicted to be controllable by external perturbations, such as strain and doping. In this work, we attempt to control the electronic band structure of black phosphorous by in-situ surface deposition of alkali-metal atoms. We found that surface doping induces steep band bending towards the bulk, leading to the emergence of new 2D electronic states that are confined within only few phosphorene layers of black phosphorus. Using angle-resolved photoemission spectroscopy, we directly measured the electronic band structure and its evolution as a function of dopant density. Supported by IBS.

  7. Large anisotropic conductance and band gap fluctuations in nearly round-shape bismuth nanoparticles.

    PubMed

    Marchak, Debora; Glozman, Denis; Vinshtein, Yuri; Jarby, Sigal; Lereah, Yossi; Cheshnovsky, Ori; Selzer, Yoram

    2012-02-01

    Unlike their bulk counterpart, nanoparticles often show spontaneous fluctuations in their crystal structure at constant temperature [Iijima, S.; Ichihashi T. Phys. Rev. Lett.1985, 56, 616; Ajayan, P. M.; Marks L. D. Phys. Rev. Lett.1988, 60, 585; Ben-David, T.; Lereah, Y.; Deutscher, G.; Penisson, J. M.; Bourret, A.; Korman, R.; Cheyssac, P. Phys. Rev. Lett.1997, 78, 2585]. This phenomenon takes place whenever the net gain in the surface energy of the particles outweighs the energy cost of internal strain. The configurational space is then densely populated due to shallow free-energy barriers between structural local minima. Here we report that in the case of bismuth (Bi) nanoparticles (BiNPs), given the high anisotropy of the mass tensor of their charge carriers, structural fluctuations result in substantial dynamic changes in their electronic and conductance properties. Transmission electron microscopy is used to probe the stochastic dynamic structural fluctuations of selected BiNPs. The related fluctuations in the electronic band structure and conductance properties are studied by scanning tunneling spectroscopy and are shown to be temperature dependent. Continuous probing of the conductance of individual BiNPs reveals corresponding dynamic fluctuations (as high as 1 eV) in their apparent band gap. At 80 K, upon freezing of structural fluctuations, conductance anisotropy in BiNPs is detected as band gap variations as a function of tip position above individual particles. BiNPs offer a unique system to explore anisotropy in zero-dimension conductors as well as the dynamic nature of nanoparticles.

  8. Electronic thermal conductivity of suspended graphene

    SciTech Connect

    Begum, K. Rizwana Sankeshwar, N. S.

    2014-04-24

    Electronic thermal conductivity, κ{sub e}, of suspended graphene is studied for 20KElectrons are assumed to be scattered by impurities, surface roughness, vacancies, inelastic optical phonons and in-plane and flexural acoustic phonons. Numerical calculations of κ{sub e}, as a function of temperature, are presented. At lower temperatures, κ{sub e}, is found to be determined mainly by vacancy (T<50K) and impurity (T<150K) scatterings. Flexural phonons influence κ{sub e} for T > 100K, becoming dominant for T > 250K. Good agreement with recent experimental data is obtained.

  9. Observation of valence band electron emission from n-type silicon field emitter arrays

    NASA Astrophysics Data System (ADS)

    Ding, Meng; Kim, Han; Akinwande, Akintunde I.

    1999-08-01

    Electron emission from the valence band of n-type Si field emitter arrays is reported. High electrostatic field at the surface of Si was achieved by reducing the radius of the emitter tip. Using oxidation sharpening, 1 μm aperture polycrystalline Si gate, n-type Si field emitter arrays with small tip radius (˜10 nm) were fabricated. Three distinct emission regions were observed: conduction band emission at low gate voltages, saturated current emission from the conduction band at intermediate voltages, and valence band plus conduction band emission at high gate voltages. Emission currents at low and high voltages obey the Fowler-Nordheim theory. The ratio of the slopes of the corresponding Fowler-Nordheim fits for these two regions is 1.495 which is in close agreement with the theoretical value of 1.445.

  10. Terra MODIS Band 27 Electronic Crosstalk Effect and Its Removal

    NASA Technical Reports Server (NTRS)

    Sun, Junqiang; Xiong, Xiaoxiong; Madhavan, Sriharsha; Wenny, Brian

    2012-01-01

    The MODerate-resolution Imaging Spectroradiometer (MODIS) is one of the primary instruments in the NASA Earth Observing System (EOS). The first MODIS instrument was launched in December, 1999 on-board the Terra spacecraft. MODIS has 36 bands, covering a wavelength range from 0.4 micron to 14.4 micron. MODIS band 27 (6.72 micron) is a water vapor band, which is designed to be insensitive to Earth surface features. In recent Earth View (EV) images of Terra band 27, surface feature contamination is clearly seen and striping has become very pronounced. In this paper, it is shown that band 27 is impacted by electronic crosstalk from bands 28-30. An algorithm using a linear approximation is developed to correct the crosstalk effect. The crosstalk coefficients are derived from Terra MODIS lunar observations. They show that the crosstalk is strongly detector dependent and the crosstalk pattern has changed dramatically since launch. The crosstalk contributions are positive to the instrument response of band 27 early in the mission but became negative and much larger in magnitude at later stages of the mission for most detectors of the band. The algorithm is applied to both Black Body (BB) calibration and MODIS L1B products. With the crosstalk effect removed, the calibration coefficients of Terra MODIS band 27 derived from the BB show that the detector differences become smaller. With the algorithm applied to MODIS L1B products, the Earth surface features are significantly removed and the striping is substantially reduced in the images of the band. The approach developed in this report for removal of the electronic crosstalk effect can be applied to other MODIS bands if similar crosstalk behaviors occur.

  11. Electronic band structure and photoemission: A review and projection

    SciTech Connect

    Falicov, L.M.

    1987-09-01

    A brief review of electronic-structure calculations in solids, as a means of interpreting photoemission spectra, is presented. The calculations are, in general, of three types: ordinary one-electron-like band structures, which apply to bulk solids and are the basis of all other calculations; surface modified calculations, which take into account, self-consistently if at all possible, the presence of a vacuum-solid interface and of the electronic modifications caused thereby; and many-body calculations, which go beyond average-field approximations and consider dynamic rearrangement effects caused by electron-electron correlations during the photoemission process. 44 refs.

  12. First-principles study of doping and band gap anomalies in delafossite transparent conductive oxides

    NASA Astrophysics Data System (ADS)

    Nie, Xiliang; Wei, Su-Huai; Zhang, S. B.

    2002-03-01

    Despite the success of n-type transparent conductive oxides (TCOs) in flat panel display, solar cell, and touch panel applications, p-type TCOs are rare. Recently, however, several p-type TCO films such as SrCu_2O2 and delafossite CuM^IIIO2 where M^III=Al, Ga, and In have been successfully demonstrated. These materials have some very unusual properties: (i) The band gaps increase with increasing atomic number. This contradicts the trend in normal semiconductors including those with the same group III elements. (ii) Bipolar doping (namely both p- and n-type doping) is observed only in the largest band gap CuInO_2. This contradicts the doping limit rule [1] as no similar trend has ever been observed in any other semiconductors. Here, using first-principles method, we calculate the electronic and optical properties of CuM^IIIO_2. We found that the fundamental direct gap decreases with the increase of the atomic number, following the general trend in conventional semiconductors. But the optical band gap (which has been used in the above experiments to define the band gap) follows an opposite trend. This happens because optical transition at the fundamental direct gap is forbidden as both states have the same parity (even). On the other hand, CuInO2 has exceptionally low conduction band minimum (CBM), 1.48 eV lower than CuAlO_2. According to the doping limit rule [1], low CBM implies good n-type dopability. Our findings explain the puzzling combination of good transparency with bipolar dopability in CuInO_2. This work was supported by the U. S. DOE-SC-BES under contract No. DE-AC36-99GO10337. [1] S. B. Zhang, S. -H. Wei, and A. Zunger, J. Appl. Phys. 83, 3192 (1998).

  13. Effects of Conducting Plane on Band and Choral Musicians' Perceptions of Conductor and Ensemble Expressivity

    ERIC Educational Resources Information Center

    Silvey, Brian A.; Fisher, Ryan A.

    2015-01-01

    The purpose of this study was to examine whether one aspect of conducting technique, the conducting plane, would affect band and/or choral musicians' perceptions of conductor and ensemble expressivity. A band and a choral conductor were each videotaped conducting 1-min excerpts from Morten Lauridsen's "O Magnum Mysterium" while using a…

  14. Controlling the conduction band offset for highly efficient ZnO nanorods based perovskite solar cell

    SciTech Connect

    Dong, Juan; Shi, Jiangjian; Li, Dongmei; Luo, Yanhong; Meng, Qingbo

    2015-08-17

    The mechanism of charge recombination at the interface of n-type electron transport layer (n-ETL) and perovskite absorber on the carrier properties in the perovskite solar cell is theoretically studied. By solving the one dimensional diffusion equation with different boundary conditions, it reveals that the interface charge recombination in the perovskite solar cell can be suppressed by adjusting the conduction band offset (ΔE{sub C}) at ZnO ETL/perovskite absorber interface, thus leading to improvements in cell performance. Furthermore, Mg doped ZnO nanorods ETL has been designed to control the energy band levels. By optimizing the doping amount of Mg, the conduction band minimum of the Mg doped ZnO ETL has been raised up by 0.29 eV and a positive ΔE{sub C} of about 0.1 eV is obtained. The photovoltage of the cell is thus significantly increased due to the relatively low charge recombination.

  15. Electronic structure and band alignment at an epitaxial spinel/perovskite heterojunction.

    PubMed

    Qiao, Liang; Li, Wei; Xiao, Haiyan; Meyer, Harry M; Liang, Xuelei; Nguyen, N V; Weber, William J; Biegalski, Michael D

    2014-08-27

    The electronic properties of solid-solid interfaces play critical roles in a variety of technological applications. Recent advances of film epitaxy and characterization techniques have demonstrated a wealth of exotic phenomena at interfaces of oxide materials, which are critically dependent on the alignment of their energy bands across the interface. Here we report a combined photoemission and electrical investigation of the electronic structures across a prototypical spinel/perovskite heterojunction. Energy-level band alignment at an epitaxial Co3O4/SrTiO3(001) heterointerface indicates a chemically abrupt, type I heterojunction without detectable band bending at both the film and substrate. The unexpected band alignment for this typical p-type semiconductor on SrTiO3 is attributed to its intrinsic d-d interband excitation, which significantly narrows the fundamental band gap between the top of the valence band and the bottom of the conduction band. The formation of the type I heterojunction with a flat-band state results in a simultaneous confinement of both electrons and holes inside the Co3O4 layer, thus rendering the epitaxial Co3O4/SrTiO3(001) heterostructure to be a very promising material for high-efficiency luminescence and optoelectronic device applications.

  16. Convergence of multi-valley bands as the electronic origin of high thermoelectric performance in CoSb3 skutterudites

    NASA Astrophysics Data System (ADS)

    Tang, Yinglu; Gibbs, Zachary M.; Agapito, Luis A.; Li, Guodong; Kim, Hyun-Sik; Nardelli, Marco Buongiorno; Curtarolo, Stefano; Snyder, G. Jeffrey

    2015-12-01

    Filled skutterudites RxCo4Sb12 are excellent n-type thermoelectric materials owing to their high electronic mobility and high effective mass, combined with low thermal conductivity associated with the addition of filler atoms into the void site. The favourable electronic band structure in n-type CoSb3 is typically attributed to threefold degeneracy at the conduction band minimum accompanied by linear band behaviour at higher carrier concentrations, which is thought to be related to the increase in effective mass as the doping level increases. Using combined experimental and computational studies, we show instead that a secondary conduction band with 12 conducting carrier pockets (which converges with the primary band at high temperatures) is responsible for the extraordinary thermoelectric performance of n-type CoSb3 skutterudites. A theoretical explanation is also provided as to why the linear (or Kane-type) band feature is not beneficial for thermoelectrics.

  17. Control of valence and conduction band energies in layered transition metal phosphates via surface functionalization.

    PubMed

    Lentz, Levi C; Kolb, Brian; Kolpak, Alexie M

    2016-05-18

    Layered transition metal phosphates and phosphites (TMPs) are a class of materials composed of layers of 2D sheets bound together via van der Waals interactions and/or hydrogen bonds. Explored primarily for use in proton transfer, their unique chemical tunability also makes TMPs of interest for forming large-scale hybrid materials. Further, unlike many layered materials, TMPs can readily be solution exfoliated to form single 2D sheets or bilayers, making them exciting candidates for a variety of applications. However, the electronic properties of TMPs have largely been unstudied to date. In this work, we use first-principles computations to investigate the atomic and electronic structure of TMPs with a variety of stoichiometries. We demonstrate that there exists a strong linear relationship between the band gap and the ionic radius of the transition metal cation in these materials, and show that this relationship, which opens opportunities for engineering new compositions with a wide range of band gaps, arises from constraints imposed by the phosphorus-oxygen bond geometry. In addition, we find that the energies of the valence and conduction band edges can be systematically tuned over a range of ∼3 eV via modification of the functional group extending from the phosphorus. Based on the Hammett constant of this functional group, we identify a simple, predictive relationship for the ionization potential and electron affinity of layered TMPs. Our results thus provide guidelines for systematic design of TMP-derived functional materials, which may enable new approaches for optimizing charge transfer in electronics, photovoltaics, electrocatalysts, and other applications. PMID:27157509

  18. Control of valence and conduction band energies in layered transition metal phosphates via surface functionalization.

    PubMed

    Lentz, Levi C; Kolb, Brian; Kolpak, Alexie M

    2016-05-18

    Layered transition metal phosphates and phosphites (TMPs) are a class of materials composed of layers of 2D sheets bound together via van der Waals interactions and/or hydrogen bonds. Explored primarily for use in proton transfer, their unique chemical tunability also makes TMPs of interest for forming large-scale hybrid materials. Further, unlike many layered materials, TMPs can readily be solution exfoliated to form single 2D sheets or bilayers, making them exciting candidates for a variety of applications. However, the electronic properties of TMPs have largely been unstudied to date. In this work, we use first-principles computations to investigate the atomic and electronic structure of TMPs with a variety of stoichiometries. We demonstrate that there exists a strong linear relationship between the band gap and the ionic radius of the transition metal cation in these materials, and show that this relationship, which opens opportunities for engineering new compositions with a wide range of band gaps, arises from constraints imposed by the phosphorus-oxygen bond geometry. In addition, we find that the energies of the valence and conduction band edges can be systematically tuned over a range of ∼3 eV via modification of the functional group extending from the phosphorus. Based on the Hammett constant of this functional group, we identify a simple, predictive relationship for the ionization potential and electron affinity of layered TMPs. Our results thus provide guidelines for systematic design of TMP-derived functional materials, which may enable new approaches for optimizing charge transfer in electronics, photovoltaics, electrocatalysts, and other applications.

  19. Disorder-free localization around the conduction band edge of crossing and kinked silicon nanowires

    SciTech Connect

    Keleş, Ümit; Çakan, Aslı; Bulutay, Ceyhun

    2015-02-14

    We explore ballistic regime quantum transport characteristics of oxide-embedded crossing and kinked silicon nanowires (NWs) within a large-scale empirical pseudopotential electronic structure framework, coupled to the Kubo-Greenwood transport analysis. A real-space wave function study is undertaken and the outcomes are interpreted together with the findings of ballistic transport calculations. This reveals that ballistic transport edge lies tens to hundreds of millielectron volts above the lowest unoccupied molecular orbital, with a substantial number of localized states appearing in between, as well as above the former. We show that these localized states are not due to the oxide interface, but rather core silicon-derived. They manifest the wave nature of electrons brought to foreground by the reflections originating from NW junctions and bends. Hence, we show that the crossings and kinks of even ultraclean Si NWs possess a conduction band tail without a recourse to atomistic disorder.

  20. On the CdS/CuInSe2 conduction band discontinuity

    NASA Astrophysics Data System (ADS)

    Niemegeers, Alex; Burgelman, Marc; De Vos, Alexis

    1995-08-01

    Recent calculations of the electron affinity difference between CdS and CuInSe2 indicate that the conduction band (CB) minimum of CuInSe2 is below the CB minimum of CdS. As a consequence, a spike occurs in the CB at the CdS/CuInSe2 interface. Such a spike is commonly considered as in conflict with good photovoltaic performance of heterojunction solar cells. It is outlined here that the simple assumption of thermionic emission across the junction can explain an unimpeded electron transport in the case of an n+p structure (n-type window, p-type absorber), even when a spike in the CB occurs.

  1. H-tailored surface conductivity in narrow band gap In(AsN)

    SciTech Connect

    Velichko, A. V. E-mail: anton.velychko@nottingham.ac.uk; Patanè, A. E-mail: anton.velychko@nottingham.ac.uk; Makarovsky, O.; Capizzi, M.; Polimeni, A.; Sandall, I. C.; Tan, C. H.; Giubertoni, D.; Krier, A.; Zhuang, Q.

    2015-01-12

    We show that the n-type conductivity of the narrow band gap In(AsN) alloy can be increased within a thin (∼100 nm) channel below the surface by the controlled incorporation of H-atoms. This channel has a large electron sheet density of ∼10{sup 18 }m{sup −2} and a high electron mobility (μ > 0.1 m{sup 2}V{sup −1}s{sup −1} at low and room temperature). For a fixed dose of impinging H-atoms, its width decreases with the increase in concentration of N-atoms that act as H-traps thus forming N-H donor complexes near the surface.

  2. XANES: observation of quantum confinement in the conduction band of colloidal PbS quantum dots

    NASA Astrophysics Data System (ADS)

    Demchenko, I. N.; Chernyshova, M.; He, X.; Minikayev, R.; Syryanyy, Y.; Derkachova, A.; Derkachov, G.; Stolte, W. C.; Piskorska-Hommel, E.; Reszka, A.; Liang, H.

    2013-04-01

    The presented investigations aimed at development of inexpensive method for synthesized materials suitable for utilization of solar energy. This important issue was addressed by focusing, mainly, on electronic local structure studies with supporting x-ray diffraction (XRD) and transmission electron microscopy (TEM) analysis of colloidal galena nano-particles (NPs) and quantum dots (QDs) synthesized using wet chemistry under microwave irradiation. Performed x-ray absorption near edge structure (XANES) analysis revealed an evidence of quantum confinement for the sample with QDs, where the bottom of the conduction band was shifted to higher energy. The QDs were found to be passivated with oxides at the surface. Existence of sulfate/sulfite and thiosulfate species in pure PbS and QDs, respectively, was identified.

  3. Conductance statistics for the power-law banded random matrix model

    SciTech Connect

    Martinez-Mendoza, A. J.; Mendez-Bermudez, J. A.; Varga, Imre

    2010-12-21

    We study numerically the conductance statistics of the one-dimensional (1D) Anderson model with random long-range hoppings described by the Power-law Banded Random Matrix (PBRM) model. Within a scattering approach to electronic transport, we consider two scattering setups in absence and presence of direct processes: 2M single-mode leads attached to one side and to opposite sides of 1D circular samples. For both setups we show that (i) the probability distribution of the logarithm of the conductance T behaves as w(lnT){proportional_to}T{sup M2/2}, for T<<, for both the critical and the non-critical samples; and (ii) at criticality there is a smooth crossover from localized-like to delocalized-like behavior in the transport properties of the PBRM model by decreasing the fractality of its eigenstates.

  4. Analytical band Monte Carlo analysis of electron transport in silicene

    NASA Astrophysics Data System (ADS)

    Yeoh, K. H.; Ong, D. S.; Ooi, C. H. Raymond; Yong, T. K.; Lim, S. K.

    2016-06-01

    An analytical band Monte Carlo (AMC) with linear energy band dispersion has been developed to study the electron transport in suspended silicene and silicene on aluminium oxide (Al2O3) substrate. We have calibrated our model against the full band Monte Carlo (FMC) results by matching the velocity-field curve. Using this model, we discover that the collective effects of charge impurity scattering and surface optical phonon scattering can degrade the electron mobility down to about 400 cm2 V-1 s-1 and thereafter it is less sensitive to the changes of charge impurity in the substrate and surface optical phonon. We also found that further reduction of mobility to ˜100 cm2 V-1 s-1 as experimentally demonstrated by Tao et al (2015 Nat. Nanotechnol. 10 227) can only be explained by the renormalization of Fermi velocity due to interaction with Al2O3 substrate.

  5. Engineering flat electronic bands in quasiperiodic and fractal loop geometries

    NASA Astrophysics Data System (ADS)

    Nandy, Atanu; Chakrabarti, Arunava

    2015-11-01

    Exact construction of one electron eigenstates with flat, non-dispersive bands, and localized over clusters of various sizes is reported for a class of quasi-one-dimensional looped networks. Quasiperiodic Fibonacci and Berker fractal geometries are embedded in the arms of the loop threaded by a uniform magnetic flux. We work out an analytical scheme to unravel the localized single particle states pinned at various atomic sites or over clusters of them. The magnetic field is varied to control, in a subtle way, the extent of localization and the location of the flat band states in energy space. In addition to this we show that an appropriate tuning of the field can lead to a re-entrant behavior of the effective mass of the electron in a band, with a periodic flip in its sign.

  6. Multi-ion conduction bands in a simple model of calcium ion channels

    NASA Astrophysics Data System (ADS)

    Kaufman, I.; Luchinsky, D. G.; Tindjong, R.; McClintock, P. V. E.; Eisenberg, R. S.

    2013-04-01

    We report self-consistent Brownian dynamics simulations of a simple electrostatic model of the selectivity filters (SF) of calcium ion channels. They reveal regular structure in the conductance and selectivity as functions of the fixed negative charge Qf at the SF. With increasing Qf, there are distinct regions of high conductance (conduction bands) M0, M1, M2 separated by regions of almost zero-conductance (stop-bands). Two of these conduction bands, M1 and M2, are related to the saturated calcium occupancies of P = 1 and P = 2, respectively and demonstrate self-sustained conductivity. Despite the model's limitations, its M1 and M2 bands show high calcium selectivity and prominent anomalous mole fraction effects and can be identified with the L-type and RyR calcium channels. The non-selective band M0 can be identified with a non-selective cation channel, or with OmpF porin.

  7. Valence-band electronic structure of silicon nitride studied with the use of soft-x-ray emission

    NASA Astrophysics Data System (ADS)

    Carson, R. D.; Schnatterly, S. E.

    1986-02-01

    We have studied the valence-band electronic structure of α-phase, β-phase, and amorphous silicon nitride samples, using Si L-x-ray emission. Our results are compared with a recent band-structure calculation and show that Si 3d states are necessary to properly describe the upper-valence-band and lower-conduction-band density of states. A prominent feature is seen above the valence band which is attributed to conduction-band states that are populated by the incident electron beam. By reducing the energy of the electron beam it is possible to enhance the surface emission relative to bulk emission, and such spectra are also presented and discussed.

  8. Correlation effects and electronic properties of Cr-substituted SZn with an intermediate band.

    PubMed

    Tablero, C

    2005-09-15

    A study using first principles of the electronic properties of S32Zn31Cr, a material derived from the SZn host semiconductor where a Cr atom has been substituted for each of the 32 Zn atoms, is presented. This material has an intermediate band sandwiched between the valence and conduction bands of the host semiconductor, which in a formal band-theoretic picture is metallic because the Fermi energy is located within the impurity band. The potential technological application of these materials is that when they are used to absorb photons in solar cells, the efficiency increases significantly with respect to the host semiconductor. An analysis of the gaps, bandwidths, density of states, total and orbital charges, and electronic density is carried out. The main effects of the local-density approximation with a Hubbard term corrections are an increase in the bandwidth, a modification of the relative composition of the five d and p transition-metal orbitals, and a splitting of the intermediate band. The results demonstrate that the main contribution to the intermediate band is the Cr atom. For values of U greater than 6 eV, where U is the empirical Hubbard term U parameter, this band is unfolded, thus creating two bands, a full one below the Fermi energy and an empty one above it, i.e., a metal-insulator transition. PMID:16392585

  9. Electronic transitions in GdN band structure

    SciTech Connect

    Vidyasagar, R. Kita, T.; Sakurai, T.; Ohta, H.

    2014-05-28

    Using the near-infrared (NIR) absorbance spectroscopy, electronic transitions and spin polarization of the GdN epitaxial film have been investigated; and the GdN epitaxial film was grown by a reactive rf sputtering technique. The GdN film exhibited three broad bands in the NIR frequency regimes; and those bands are attributable primarily to the minority and majority spin transitions at the X-point and an indirect transition along the Γ-X symmetric direction of GdN Brillouin zone. We experimentally observe a pronounced red-shift of the indirect band gap when cooling down below the Curie temperature which is ascribed to the orbital-dependent coulomb interactions of Gd-5dxy electrons, which tend to push-up the N-2p bands. On the other hand, we have evaluated the spin polarization of 0.17 (±0.005), which indicates that the GdN epitaxial film has almost 100% spin-polarized carriers. Furthermore, the experimental result of GdN electronic transitions are consistent with the previous reports and are thus well-reproduced. The Arrott plots evidenced that the Curie temperature of GdN film is 36 K and the large spin moment is explained by the nitrogen vacancies and the intra-atomic exchange interaction.

  10. Enlarged band gap and electron switch in graphene-based step-barrier structure

    SciTech Connect

    Lu, Wei-Tao Ye, Cheng-Zhi; Li, Wen

    2013-11-04

    We study the transmission through a step-barrier in gapped graphene and propose a method to enlarge the band gap. The step-barrier structure consists of two or more barriers with different strengths. It is found that the band gap could be effectively enlarged and controlled by adjusting the barrier strengths in the light of the mass term. Klein tunneling at oblique incidence is suppressed due to the asymmetry of step-barrier, contrary to the cases in single-barrier and superlattices. Furthermore, a tunable conductance channel could be opened up in the conductance gap, suggesting an application of the structure as an electron switch.

  11. Valence and Conduction Band Densities of States of Metal Halide Perovskites: A Combined Experimental–Theoretical Study

    PubMed Central

    2016-01-01

    We report valence and conduction band densities of states measured via ultraviolet and inverse photoemission spectroscopies on three metal halide perovskites, specifically methylammonium lead iodide and bromide and cesium lead bromide (MAPbI3, MAPbBr3, CsPbBr3), grown at two different institutions on different substrates. These are compared with theoretical densities of states (DOS) calculated via density functional theory. The qualitative agreement achieved between experiment and theory leads to the identification of valence and conduction band spectral features, and allows a precise determination of the position of the band edges, ionization energy and electron affinity of the materials. The comparison reveals an unusually low DOS at the valence band maximum (VBM) of these compounds, which confirms and generalizes previous predictions of strong band dispersion and low DOS at the MAPbI3 VBM. This low DOS calls for special attention when using electron spectroscopy to determine the frontier electronic states of lead halide perovskites. PMID:27364125

  12. Valence and Conduction Band Densities of States of Metal Halide Perovskites: A Combined Experimental-Theoretical Study.

    PubMed

    Endres, James; Egger, David A; Kulbak, Michael; Kerner, Ross A; Zhao, Lianfeng; Silver, Scott H; Hodes, Gary; Rand, Barry P; Cahen, David; Kronik, Leeor; Kahn, Antoine

    2016-07-21

    We report valence and conduction band densities of states measured via ultraviolet and inverse photoemission spectroscopies on three metal halide perovskites, specifically methylammonium lead iodide and bromide and cesium lead bromide (MAPbI3, MAPbBr3, CsPbBr3), grown at two different institutions on different substrates. These are compared with theoretical densities of states (DOS) calculated via density functional theory. The qualitative agreement achieved between experiment and theory leads to the identification of valence and conduction band spectral features, and allows a precise determination of the position of the band edges, ionization energy and electron affinity of the materials. The comparison reveals an unusually low DOS at the valence band maximum (VBM) of these compounds, which confirms and generalizes previous predictions of strong band dispersion and low DOS at the MAPbI3 VBM. This low DOS calls for special attention when using electron spectroscopy to determine the frontier electronic states of lead halide perovskites. PMID:27364125

  13. Conduction band population in graphene in ultrashort strong laser field: Case of massive Dirac particles

    NASA Astrophysics Data System (ADS)

    Ahmadi, Z.; Goudarzi, H.; Jafari, A.

    2016-05-01

    The Dirac-like quasiparticles in honeycomb graphene lattice are taken to possess a non-zero effective mass. The charge carriers involve to interact with a femtosecond strong laser pulse. Due to the scattering time of electrons in graphene (τ ≈10-100 fs), the one femtosecond optical pulse is used to establish the coherence effect and, consequently, it can be realized to use the time-dependent Schrödinger equation for electron coupled with strong electromagnetic field. Generalized wave vector of relativistic electrons interacting with electric field of laser pulse causes to obtain a time-dependent electric dipole matrix element. Using the coupled differential equations of a two-state system of graphene, the density of probability of population transition between valence (VB) and conduction bands (CB) of gapped graphene is calculated. In particular, the effect of bandgap energy on dipole matrix elements at the Dirac points and resulting CB population (CBP) is investigated. The irreversible electron dynamics is achieved when the optical pulse end. Increasing the energy gap of graphene results in decreasing the maximum CBP.

  14. The electronic structures of vanadate salts: Cation substitution as a tool for band gap manipulation

    NASA Astrophysics Data System (ADS)

    Dolgos, Michelle R.; Paraskos, Alexandra M.; Stoltzfus, Matthew W.; Yarnell, Samantha C.; Woodward, Patrick M.

    2009-07-01

    The electronic structures of six ternary metal oxides containing isolated vanadate ions, Ba 3(VO 4) 2, Pb 3(VO 4) 2, YVO 4, BiVO 4, CeVO 4 and Ag 3VO 4 were studied using diffuse reflectance spectroscopy and electronic structure calculations. While the electronic structure near the Fermi level originates largely from the molecular orbitals of the vanadate ion, both experiment and theory show that the cation can strongly influence these electronic states. The observation that Ba 3(VO 4) 2 and YVO 4 have similar band gaps, both 3.8 eV, shows that cations with a noble gas configuration have little impact on the electronic structure. Band structure calculations support this hypothesis. In Pb 3(VO 4) 2 and BiVO 4 the band gap is reduced by 0.9-1.0 eV through interactions of (a) the filled cation 6 s orbitals with nonbonding O 2 p states at the top of the valence band, and (b) overlap of empty 6 p orbitals with antibonding V 3 d-O 2 p states at the bottom of the conduction band. In Ag 3VO 4 mixing between filled Ag 4 d and O 2 p states destabilizes states at the top of the valence band leading to a large decrease in the band gap ( Eg=2.2 eV). In CeVO 4 excitations from partially filled 4 f orbitals into the conduction band lower the effective band gap to 1.8 eV. In the Ce 1-xBi xVO 4 (0≤ x≤0.5) and Ce 1-xY xVO 4 ( x=0.1, 0.2) solid solutions the band gap narrows slightly when Bi 3+ or Y 3+ are introduced. The nonlinear response of the band gap to changes in composition is a result of the localized nature of the Ce 4 f orbitals.

  15. Discrete Electronic Bands in Semiconductors and Insulators: Potential High-Light-Yield Scintillators

    DOE PAGES

    Shi, Hongliang; Du, Mao-Hua

    2015-05-12

    Bulk semiconductors and insulators typically have continuous valence and conduction bands. In this paper, we show that valence and conduction bands of a multinary semiconductor or insulator can be split to narrow discrete bands separated by large energy gaps. This unique electronic structure is demonstrated by first-principles calculations in several quaternary elpasolite compounds, i.e., Cs2NaInBr6, Cs2NaBiCl6, and Tl2NaBiCl6. The narrow discrete band structure in these quaternary elpasolites is due to the large electronegativity difference among cations and the large nearest-neighbor distances in cation sublattices. We further use Cs2NaInBr6 as an example to show that the narrow bands can stabilize self-trappedmore » and dopant-bound excitons (in which both the electron and the hole are strongly localized in static positions on adjacent sites) and promote strong exciton emission at room temperature. The discrete band structure should further suppress thermalization of hot carriers and may lead to enhanced impact ionization, which is usually considered inefficient in bulk semiconductors and insulators. Finally, these characteristics can enable efficient room-temperature light emission in low-gap scintillators and may overcome the light-yield bottleneck in current scintillator research.« less

  16. Discrete Electronic Bands in Semiconductors and Insulators: Potential High-Light-Yield Scintillators

    SciTech Connect

    Shi, Hongliang; Du, Mao-Hua

    2015-05-12

    Bulk semiconductors and insulators typically have continuous valence and conduction bands. In this paper, we show that valence and conduction bands of a multinary semiconductor or insulator can be split to narrow discrete bands separated by large energy gaps. This unique electronic structure is demonstrated by first-principles calculations in several quaternary elpasolite compounds, i.e., Cs2NaInBr6, Cs2NaBiCl6, and Tl2NaBiCl6. The narrow discrete band structure in these quaternary elpasolites is due to the large electronegativity difference among cations and the large nearest-neighbor distances in cation sublattices. We further use Cs2NaInBr6 as an example to show that the narrow bands can stabilize self-trapped and dopant-bound excitons (in which both the electron and the hole are strongly localized in static positions on adjacent sites) and promote strong exciton emission at room temperature. The discrete band structure should further suppress thermalization of hot carriers and may lead to enhanced impact ionization, which is usually considered inefficient in bulk semiconductors and insulators. Finally, these characteristics can enable efficient room-temperature light emission in low-gap scintillators and may overcome the light-yield bottleneck in current scintillator research.

  17. Revisiting the Valence and Conduction Band Size Dependence of PbS Quantum Dot Thin Films.

    PubMed

    Miller, Elisa M; Kroupa, Daniel M; Zhang, Jianbing; Schulz, Philip; Marshall, Ashley R; Kahn, Antoine; Lany, Stephan; Luther, Joseph M; Beard, Matthew C; Perkins, Craig L; van de Lagemaat, Jao

    2016-03-22

    We use a high signal-to-noise X-ray photoelectron spectrum of bulk PbS, GW calculations, and a model assuming parabolic bands to unravel the various X-ray and ultraviolet photoelectron spectral features of bulk PbS as well as determine how to best analyze the valence band region of PbS quantum dot (QD) films. X-ray and ultraviolet photoelectron spectroscopy (XPS and UPS) are commonly used to probe the difference between the Fermi level and valence band maximum (VBM) for crystalline and thin-film semiconductors. However, we find that when the standard XPS/UPS analysis is used for PbS, the results are often unrealistic due to the low density of states at the VBM. Instead, a parabolic band model is used to determine the VBM for the PbS QD films, which is based on the bulk PbS experimental spectrum and bulk GW calculations. Our analysis highlights the breakdown of the Brillioun zone representation of the band diagram for large band gap, highly quantum confined PbS QDs. We have also determined that in 1,2-ethanedithiol-treated PbS QD films the Fermi level position is dependent on the QD size; specifically, the smallest band gap QD films have the Fermi level near the conduction band minimum and the Fermi level moves away from the conduction band for larger band gap PbS QD films. This change in the Fermi level within the QD band gap could be due to changes in the Pb:S ratio. In addition, we use inverse photoelectron spectroscopy to measure the conduction band region, which has similar challenges in the analysis of PbS QD films due to a low density of states near the conduction band minimum. PMID:26895310

  18. Revisiting the Valence and Conduction Band Size Dependence of PbS Quantum Dot Thin Films.

    PubMed

    Miller, Elisa M; Kroupa, Daniel M; Zhang, Jianbing; Schulz, Philip; Marshall, Ashley R; Kahn, Antoine; Lany, Stephan; Luther, Joseph M; Beard, Matthew C; Perkins, Craig L; van de Lagemaat, Jao

    2016-03-22

    We use a high signal-to-noise X-ray photoelectron spectrum of bulk PbS, GW calculations, and a model assuming parabolic bands to unravel the various X-ray and ultraviolet photoelectron spectral features of bulk PbS as well as determine how to best analyze the valence band region of PbS quantum dot (QD) films. X-ray and ultraviolet photoelectron spectroscopy (XPS and UPS) are commonly used to probe the difference between the Fermi level and valence band maximum (VBM) for crystalline and thin-film semiconductors. However, we find that when the standard XPS/UPS analysis is used for PbS, the results are often unrealistic due to the low density of states at the VBM. Instead, a parabolic band model is used to determine the VBM for the PbS QD films, which is based on the bulk PbS experimental spectrum and bulk GW calculations. Our analysis highlights the breakdown of the Brillioun zone representation of the band diagram for large band gap, highly quantum confined PbS QDs. We have also determined that in 1,2-ethanedithiol-treated PbS QD films the Fermi level position is dependent on the QD size; specifically, the smallest band gap QD films have the Fermi level near the conduction band minimum and the Fermi level moves away from the conduction band for larger band gap PbS QD films. This change in the Fermi level within the QD band gap could be due to changes in the Pb:S ratio. In addition, we use inverse photoelectron spectroscopy to measure the conduction band region, which has similar challenges in the analysis of PbS QD films due to a low density of states near the conduction band minimum.

  19. Electron and hole photoemission detection for band offset determination of tunnel field-effect transistor heterojunctions

    SciTech Connect

    Li, Wei; Zhang, Qin; Kirillov, Oleg A.; Levin, Igor; Richter, Curt A.; Gundlach, David J.; Nguyen, N. V. E-mail: liangxl@pku.edu.cn; Bijesh, R.; Datta, S.; Liang, Yiran; Peng, Lian-Mao; Liang, Xuelei E-mail: liangxl@pku.edu.cn

    2014-11-24

    We report experimental methods to ascertain a complete energy band alignment of a broken-gap tunnel field-effect transistor based on an InAs/GaSb hetero-junction. By using graphene as an optically transparent electrode, both the electron and hole barrier heights at the InAs/GaSb interface can be quantified. For a Al{sub 2}O{sub 3}/InAs/GaSb layer structure, the barrier height from the top of the InAs and GaSb valence bands to the bottom of the Al{sub 2}O{sub 3} conduction band is inferred from electron emission whereas hole emissions reveal the barrier height from the top of the Al{sub 2}O{sub 3} valence band to the bottom of the InAs and GaSb conduction bands. Subsequently, the offset parameter at the broken gap InAs/GaSb interface is extracted and thus can be used to facilitate the development of predicted models of electron quantum tunneling efficiency and transistor performance.

  20. Mixed ionic and electronic conductivity in polymers

    SciTech Connect

    Shriver, D.F.

    1990-06-01

    The conductivity of iodine-containing polymers was investigated and conductivity along polyiodide chains is implicated by the concentration dependence of the conductivity data and spectroscopic measurements. On the theoretical side, entropy based models were developed to describe ion motion in polymers.

  1. Temperature dependences of the electron phonon coupling, electron heat capacity and thermal conductivity in Ni under femtosecond laser irradiation

    NASA Astrophysics Data System (ADS)

    Lin, Zhibin; Zhigilei, Leonid V.

    2007-05-01

    The electron temperature dependences of the electron-phonon coupling factor, electron heat capacity and thermal conductivity are investigated for Ni in a range of temperatures typically realized in femtosecond laser material processing applications, from room temperature up to temperatures of the order of 10 4 K. The analysis is based on the electronic density of states obtained through the electronic structure calculations. Thermal excitation of d band electrons is found to result in a significant decrease in the strength of the electron-phonon coupling, as well as large deviations of the electron heat capacity and the electron thermal conductivity from the commonly used linear temperature dependences on the electron temperature. Results of the simulations performed with the two-temperature model demonstrate that the temperature dependence of the thermophysical parameters accounting for the thermal excitation of d band electrons leads to higher maximum lattice and electron temperatures achieved at the surface of an irradiated Ni target and brings the threshold fluences for surface melting closer to the experimentally measured values as compared to the predictions obtained with commonly used approximations of the thermophysical parameters.

  2. Improved thermally conducting electron transfer polymers

    NASA Technical Reports Server (NTRS)

    Jenkins, R. K.; Byrd, N. R.; Lister, J. L.

    1972-01-01

    Development of polymers with improved heat transfer coefficients for use in encapsulating electronic modules is discussed. Chemical reactions for synthesizing the polymers are described and thermodynamic and physical properties are analyzed.

  3. Interacting quasi-band theory for electronic states in compound semiconductor alloys: Wurtzite structure

    NASA Astrophysics Data System (ADS)

    Kishi, Ayaka; Oda, Masato; Shinozuka, Yuzo

    2016-05-01

    This paper reports on the electronic states of compound semiconductor alloys of wurtzite structure calculated by the recently proposed interacting quasi-band (IQB) theory combined with empirical sp3 tight-binding models. Solving derived quasi-Hamiltonian 24 × 24 matrix that is characterized by the crystal parameters of the constituents facilitates the calculation of the conduction and valence bands of wurtzite alloys for arbitrary concentrations under a unified scheme. The theory is applied to III-V and II-VI wurtzite alloys: cation-substituted Al1- x Ga x N and Ga1- x In x N and anion-substituted CdS1- x Se x and ZnO1- x S x . The obtained results agree well with the experimental data, and are discussed in terms of mutual mixing between the quasi-localized states (QLS) and quasi-average bands (QAB): the latter bands are approximately given by the virtual crystal approximation (VCA). The changes in the valence and conduction bands, and the origin of the band gap bowing are discussed on the basis of mixing character.

  4. Interacting quasi-band theory for electronic states in compound semiconductor alloys: Wurtzite structure

    NASA Astrophysics Data System (ADS)

    Kishi, Ayaka; Oda, Masato; Shinozuka, Yuzo

    2016-05-01

    This paper reports on the electronic states of compound semiconductor alloys of wurtzite structure calculated by the recently proposed interacting quasi-band (IQB) theory combined with empirical sp3 tight-binding models. Solving derived quasi-Hamiltonian 24 × 24 matrix that is characterized by the crystal parameters of the constituents facilitates the calculation of the conduction and valence bands of wurtzite alloys for arbitrary concentrations under a unified scheme. The theory is applied to III–V and II–VI wurtzite alloys: cation-substituted Al1‑ x Ga x N and Ga1‑ x In x N and anion-substituted CdS1‑ x Se x and ZnO1‑ x S x . The obtained results agree well with the experimental data, and are discussed in terms of mutual mixing between the quasi-localized states (QLS) and quasi-average bands (QAB): the latter bands are approximately given by the virtual crystal approximation (VCA). The changes in the valence and conduction bands, and the origin of the band gap bowing are discussed on the basis of mixing character.

  5. Detecting Band Inversions by Measuring the Environment: Fingerprints of Electronic Band Topology in Bulk Phonon Linewidths.

    PubMed

    Saha, Kush; Légaré, Katherine; Garate, Ion

    2015-10-23

    The interplay between topological phases of matter and dissipative baths constitutes an emergent research topic with links to condensed matter, photonic crystals, cold atomic gases, and quantum information. While recent studies suggest that dissipative baths can induce topological phases in intrinsically trivial quantum materials, the backaction of topological invariants on dissipative baths is overlooked. By exploring this backaction for a centrosymmetric Dirac insulator coupled to phonons, we show that the linewidths of bulk optical phonons can reveal electronic band inversions. This result is the first known example where topological phases of an open quantum system may be detected by measuring the bulk properties of the surrounding environment.

  6. Utilzing Networked Computer Workstations To Conduct Electronic Focus Groups.

    ERIC Educational Resources Information Center

    Lowery, Catherine; Franklin, Kathy K.

    Researchers at the University of Arkansas at Little Rock conducted a study of faculty attitudes about the use of technology in the college classroom using electronic focus group sessions. This paper examines the electronic focus group data collection procedure. The electronic sessions were conducted in a decision-support center on campus with 13…

  7. Electron-Phonon Renormalization of Electronic Band Structures of C Allotropes and BN Polymorphs

    NASA Astrophysics Data System (ADS)

    Tutchton, Roxanne M.; Marchbanks, Christopher; Wu, Zhigang

    The effect of lattice vibration on electronic band structures has been mostly neglected in first-principles calculations because the electron-phonon (e-ph) renormalization of quasi-particle energies is often small (< 100 meV). However, in certain materials, such as diamond, the electron-phonon coupling reduces the band gap by nearly 0.5 eV, which is comparable to the many-body corrections of the electronic band structures calculated using the density functional theory (DFT). In this work, we compared two implementations of the Allen-Heine-Cardona theory in the EPW code and the ABINIT package respectively. Our computations of Si and diamond demonstrate that the ABINIT implementation converges much faster. Using this method, the e-ph renormalizations of electronic structures of three C allotropes (diamond, graphite, graphene) and four BN polymorphs (zincblend, wurtzite, mono-layer, and layered-hexagonal) were calculated. Our results suggest that (1) all of the zero-point renormalizations of band gaps in these materials, except for graphene, are larger than 100 meV, and (2) there are large variations in e-ph renormalization of band gaps due to differences in crystal structure. This work was supported by a U.S. DOE Early Career Award (Grant No. DE-SC0006433). Computations were carried out at the Golden Energy Computing Organization at CSM and the National Energy Research Scientific Computing Center (NERSC).

  8. Electronic Tongue Containing Redox and Conductivity Sensors

    NASA Technical Reports Server (NTRS)

    Buehler, Martin

    2007-01-01

    The Electronic Tongue (E-tongue 2) is an assembly of sensors for measuring concentrations of metal ions and possibly other contaminants in water. Potential uses for electronic tongues include monitoring the chemical quality of water in a variety of natural, industrial, and laboratory settings, and detecting micro-organisms indirectly by measuring microbially influenced corrosion. The device includes a heater, a temperature sensor, an oxidation/reduction (redox) sensor pair, an electrical sensor, an array of eight galvanic cells, and eight ion-specific electrodes.

  9. The ? electronic band system of nickel acetylide, NiCCH

    NASA Astrophysics Data System (ADS)

    Johnson, Eric L.; Morse, Michael D.

    2015-08-01

    Optical spectra of the supersonically cooled NiCCH radical have been recorded in the 530-650 nm region using the resonant two-photon ionisation method, and five of the observed bands have been rotationally resolved. The rotationally resolved studies demonstrate that the ground state of NiCCH is of ? symmetry, corresponding to a 3d9 configuration on the nickel atom, with the hole located in a 3dδ orbital. Most of the observed bands are assigned to the ? electronic transition, which shows a progression in the Ni-C stretching mode, ν3. In addition, single excitations of the modes ν2 (C≡C stretch), ν4 (C≡C-H bend), and ν5 (Ni-C≡C bend) are observed, allowing these vibrational intervals to be determined for the ? state. Hot bands also allow the determination of ν5 in the ground ? state. Quantum chemical computations have also been performed, confirming that the ground state is of 2Δ symmetry. The results are placed in context via comparison to other monovalent, monoligated Ni complexes, particularly NiCu, NiH, and NiCN.

  10. Electronic structure of p-type transparent conducting oxide CuAlO2

    NASA Astrophysics Data System (ADS)

    Mo, Sung-Kwan; Yoon, Joonseok; Liu, Xiaosong; Yang, Wanli; Mun, Bongjin; Ju, Honglyoul

    2014-03-01

    CuAlO2 is a prototypical p-type transparent conducting oxide. Despite its importance for potential applications and number of studies on its band structure and gap characteristics, experimental study on the momentum-resolved electronic structure has been lacking. We present angle-resolved photoemission data on single crystalline CuAlO2 using synchrotron light source to reveal complete band structure. Complemented by the x-ray absorption and emission spectra, we also study band gap characteristics and compare them with theory.

  11. The applicability of analytical-band Monte Carlo for modelling high field electron transport in GaAs

    NASA Astrophysics Data System (ADS)

    Choo, K. Y.; Ong, D. S.

    2004-08-01

    An analytical-band Monte Carlo model incorporating four non-parabolic spherical valleys to represent the first two conduction bands has been developed to model hot electron transport and impact ionization in GaAs. We have tested the performance of this simple model against full-band Monte Carlo simulations for calculating the probability distribution function of impact ionization path length, time and energy; and transient velocity overshoot at high fields. This simpler model is found capable of reproducing the full-band model results satisfactorily but at much lower computational cost.

  12. A photonic band-gap resonator to facilitate GHz-frequency conductivity experiments in pulsed magnetic fields

    NASA Astrophysics Data System (ADS)

    McDonald, R. D.; Singleton, J.; Goddard, P. A.; Harrison, N.; Mielke, C. H.

    2006-08-01

    We describe instrumentation designed to perform millimeter-wave conductivity measurements in pulsed high magnetic fields at low temperatures. The main component of this system is an entirely nonmetallic microwave resonator. The resonator utilizes periodic dielectric arrays (photonic band-gap structures) to confine the radiation, such that the resonant modes have a high Q factor, and the system possesses sufficient sensitivity to measure small samples within the duration of a magnet pulse. As well as measuring the sample conductivity to probe orbital physics in metallic systems, this technique can detect the sample permittivity and permeability allowing measurement of spin physics in insulating systems. We demonstrate the system performance in pulsed magnetic fields with both electron paramagnetic resonance experiments and conductivity measurements of correlated electron systems.

  13. Effects of ultraviolet irradiation on energy band structure and conductivity of polyaniline

    SciTech Connect

    Lin, Y.-J.; Yang, F.-M.; Lin, C.-S.

    2007-11-15

    The effects of ultraviolet (UV) irradiation on the electrical property of polyaniline (PANI) have been researched in this study. Spectroscopic methods [Raman spectroscopy (532 nm excitation) and x-ray photoelectron spectroscopy] and electrical conductivity measurements were used to characterize the conducting polymer PANI with and without UV irradiation. The authors found that UV irradiation could lead to degenerating electrical conductivity of PANI, resulting from an increase in the surface band bending and a reduction in the work function.

  14. Effect of extended line defects on thermal conduction of carbon nanotubes: analyzing phonon structures by band unfolding

    NASA Astrophysics Data System (ADS)

    Huang, Huaqing

    2015-08-01

    We theoretically investigate the effect of extended line defects (ELDs) on thermal transport properties of carbon nanotubes (CNTs) using nonequilibrium Green’s function method. Our study shows that the thermal conductance of CNTs with ELDs can be 25% lower than that of pristine CNTs. By extending the application of the recently developed unfolding method for electronic structures to phonon spectra, we find that the unfolded phonon bands of defected CNTs are split with obvious gap opening, leading to lower phonon transmissions. Further phonon local density of states analysis reveals that the change of bonding configuration near the ELD in defected CNTs can tail the degree of phonon localization. Our results indicate that introducing ELDs might be an efficient way to control thermal conduction of CNTs. The extended unfolding method for phonon systems, found to be efficient in this work, is expected to be applicable to other systems with densely folded phonon bands.

  15. Theory of Auger-electron and appearance-potential spectroscopy for interacting valence-band electrons

    NASA Astrophysics Data System (ADS)

    Nolting, W.; Geipel, G.; Ertl, K.

    1991-12-01

    A theory of Auger-electron spectroscopy (AES) and appearance-potential spectroscopy (APS) is presented for interacting electrons in a nondegenerate energy band, described within the framework of the Hubbard model. Both types of spectroscopy are based on the same two-particle spectral density. A diagrammatic vertex-correction method (Matsubara formalism) is used to express this function in terms of the one-particle spectral density. The latter is approximately determined for arbitrary temperature T, arbitrary coupling strength U/W (U, the intra-atomic Coulomb matrix element; W, the width of the ``free'' Bloch band), and arbitrary band occupations n (0<=n<=2 average number of band electrons per site) by a self-consistent moment method. In weakly coupled systems the electron correlations give rise to certain deformations of the quasiparticle density of states (QDOS) in relation to the Bloch density of states (BDOS), where, however, spontaneous magnetic order is excluded, irrespective of the band filling n. The AE (AP) spectra consist of only one structure a few eV wide (``bandlike'') which is strongly n dependent, but only slightly T dependent, being rather well approximated by a simple self-convolution of the occupied (unoccupied) QDOS. For strongly correlated electrons the Bloch band splits into two quasiparticle subbands. This leads for n<1 to one line in the AE spectrum and three lines in the AP spectrum, and vice versa for n>1. For sufficiently strong correlations U/W additional satellites appear that refer to situations where the two excited quasiparticles (quasiholes) propagate as tightly bound pairs through the lattice without being scattered by other charge carriers. As soon as the satellite splits off from the bandlike part of the spectrum, it takes almost the full spectral weight, conveying the impression of an ``atomiclike'' AE (AP) line shape. The satellite has almost exactly the structure of the free BDOS. If the particle density n as well as the hole

  16. Toxicity of metal oxide nanoparticles in Escherichia coli correlates with conduction band and hydration energies.

    PubMed

    Kaweeteerawat, Chitrada; Ivask, Angela; Liu, Rong; Zhang, Haiyuan; Chang, Chong Hyun; Low-Kam, Cecile; Fischer, Heidi; Ji, Zhaoxia; Pokhrel, Suman; Cohen, Yoram; Telesca, Donatello; Zink, Jeffrey; Mädler, Lutz; Holden, Patricia A; Nel, Andre; Godwin, Hilary

    2015-01-20

    Metal oxide nanoparticles (MOx NPs) are used for a host of applications, such as electronics, cosmetics, construction, and medicine, and as a result, the safety of these materials to humans and the environment is of considerable interest. A prior study of 24 MOx NPs in mammalian cells revealed that some of these materials show hazard potential. Here, we report the growth inhibitory effects of the same series of MOx NPs in the bacterium Escherichia coli and show that toxicity trends observed in E. coli parallel those seen previously in mammalian cells. Of the 24 materials studied, only ZnO, CuO, CoO, Mn2O3, Co3O4, Ni2O3, and Cr2O3 were found to exert significant growth inhibitory effects; these effects were found to relate to membrane damage and oxidative stress responses in minimal trophic media. A correlation of the toxicological data with physicochemical parameters of MOx NPs revealed that the probability of a MOx NP being toxic increases as the hydration enthalpy becomes less negative and as the conduction band energy approaches those of biological molecules. These observations are consistent with prior results observed in mammalian cells, revealing that mechanisms of toxicity of MOx NPs are consistent across two very different taxa. These results suggest that studying nanotoxicity in E. coli may help to predict toxicity patterns in higher organisms. PMID:25563693

  17. The Superatom States of Fullerenes and Their Hybridization into the Nearly Free Electron Bands of Fullerites

    SciTech Connect

    Zhao, Jin; Feng, Min; Yang, Jinlong; Petek, Hrvoje

    2009-04-07

    Motivated by the discovery of the superatom states of C₆₀ molecules, we investigate the factors that influence their energy and wave function hybridization into nearly free electron bands in molecular solids. As the n = 3 solutions of the radial Schro¨dinger equation of the central attractive potential consisting of the shortrange C atom core and the long-range collective screening potentials, respectively, located on the icosahedral C60 molecule shell and within its hollow core, superatom states are distinguished by their atom-like orbitals corresponding to different orbital angular momentum states (l = 0, 1, 2,...). Because they are less tightly bound than the π orbitals, that is, the n = 2 states, which are often exploited in the intermolecular electron transport in aromatic organic molecule semiconductors, superatom orbitals hybridize more extensively among aggregated molecules to form bands with nearly free electron dispersion. The prospect of exploiting the strong intermolecular coupling to achieve metal-like conduction in applications such as molecular electronics may be attained by lowering the energy of superatom states from 3.5 eV for single chemisorbed C₆₀ molecules to below the Fermi level; therefore, we study how the superatom state energies depend on factors such as their aggregation into 1D - 3D solids, cage size, and exo- and endohedral doping by metal atoms. We find, indeed, that if the ionization potential of endohedral atom, such as copper, is sufficiently large, superatom states can form the conduction band in the middle of the gap between the HOMO and LUMO of the parent C₆₀ molecule. Through a plane-wave density functional theory study, we provide insights for a new paradigm for intermolecular electronic interaction beyond the conventional one among the spn hybridized orbitals of the organic molecular solids that could lead to design of novel molecular materials and quantum structures with extraordinary optical and

  18. Topological effects on conduction electrons in ferromagnetic rings

    NASA Astrophysics Data System (ADS)

    Rebei, Adnan; Simanek, Eugen

    2005-03-01

    Using two examples, I will show possible measurable effects of global geometry on spin accumulations in ring geometries as a function of the diameter of the nano-ring. Because of the spin character of the conduction electrons and the magnetization in transition metals, we have two possible inequivalent spin structures on a ring which are given by the first Cohomology group of the ring. In the first example, the magnetization is assumed to be everywhere the same with respect to the normal to the ring, i.e., the magnetization has a 360 degrees periodicity. In the second example, the magnetization is assumed to have a 720 degrees periodicity and topologically equivalent to a Mobius band. In both examples the magnetization is locally the same but differ globally. We will argue that as the size of the ring becomes smaller (i.e., around 10 nm or less), the topologically non-trivial spin structure should become more stable. This topological property can manifest in e.g. resistance differential between the two examples. This latter physical effect is expected to be present in addition to the Berry phase.

  19. Conduction mechanism in Polyaniline-flyash composite material for shielding against electromagnetic radiation in X-band & Ku band

    NASA Astrophysics Data System (ADS)

    Singh, Avanish Pratap; Anoop Kumar, S.; Chandra, Amita; Dhawan, S. K.

    2011-06-01

    β-Naphthalene sulphonic acid (β-NSA) doped polyaniline (PANI)-flyash (FA) composites have been prepared by chemical oxidative polymerization route whose conductivity lies in the range 2.37-21.49 S/cm. The temperature dependence of electrical conductivity has also been recorded which shows that composites follow Mott's 3D-VRH model. SEM images demonstrate that β-NSA leads to the formation of the tubular structure with incorporated flyash phase. TGA studies show the improvement in thermal stability of composites with increase in loading level of flyash. Complex parameters i.e. permittivity (ɛ* = ɛ'- iɛ″) and permeability (μ*=μ'- iμ″) of PANI-FA composites have been calculated from experimental scattering parameters (S11 & S21) using theoretical calculations given in Nicholson-Ross and Weir algorithms. The microwave absorption properties of the composites have been studied in X-band (8.2 - 12.4 GHz) & Ku-Band (12.4 - 18 GHz) frequency range. The maximum shielding effectiveness observed was 32dB, which strongly depends on dielectric loss and volume fraction of flyash in PANI matrix.

  20. Highly spin-polarized conducting state at the interface between nonmagnetic band insulators: LaAlO3/FeS2 (001).

    PubMed

    Burton, J D; Tsymbal, E Y

    2011-10-14

    First-principles density functional calculations demonstrate that a spin-polarized two-dimensional conducting state can be realized at the interface between two nonmagnetic band insulators. The (001) surface of the diamagnetic insulator FeS(2) (pyrite) supports a localized surface state deriving from Fe d orbitals near the conduction band minimum. The deposition of a few unit cells of the polar perovskite oxide LaAlO(3) leads to electron transfer into these surface bands, thereby creating a conducting interface. The occupation of these narrow bands leads to an exchange splitting between the spin subbands, yielding a highly spin-polarized conducting state distinct from the rest of the nonmagnetic, insulating bulk. Such an interface presents intriguing possibilities for spintronics applications. PMID:22107410

  1. Quantal Heating of Conducting Electrons with Discrete Spectrum

    SciTech Connect

    Vitkalov, S. A.; Bykov, A. A.

    2011-12-23

    Usually heating of conducting electrons by dc electric field results in an increase of electron temperature. In this paper we show that the dc heating of 2D electrons, placed in quantized magnetic fields, results in a peculiar electron distribution, which has the same broadening or an effective 'temperature' as the unbiased electron system. The quantal heating, however, violates strongly the Ohm's Law. In the conducting system with discrete electron spectrum the quantal heating results in spectacular decrease of electron resistance and transition of the electrons into a state with zero differential resistance (ZDR). Finally the heating leads to apparent dc driven metal-insulator transition, which correlates with the transition into the ZDR state. The correlation is very unexpected and is not understood.

  2. Post-precipitation bias in band-tailed pigeon surveys conducted at mineral sites

    USGS Publications Warehouse

    Overton, C.T.; Schmitz, R.A.; Casazza, M.L.

    2005-01-01

    Many animal surveys to estimate populations or index trends include protocol prohibiting counts during rain but fail to address effects of rainfall preceding the count. Prior research on Pacific Coast band-tailed pigeons (Patagioenas fasciata monilis) documented declines in use of mineral sites during rainfall. We hypothesized that prior precipitation was associated with a short-term increase in use of mineral sites following rain. We conducted weekly counts of band-tailed pigeons at 19 Pacific Northwest mineral sites in 2001 and 20 sites in 2002. Results from regression analysis indicated higher counts ???2 days after rain (11.31??5.00% [x????SE]) compared to ???3 days. Individual index counts conducted ???2 days after rain were biased high, resulting in reduced ability to accurately estimate population trends. Models of band-tailed pigeon visitation rates throughout the summer showed increased mineral-site counts during both June and August migration periods, relative to the July breeding period. Our research supported previous studies recommending that mineral-site counts used to index the band-tailed pigeon population be conducted during July. We further recommend conducting counts >3 days after rain to avoid weather-related bias in index estimation. The design of other population sampling strategies that rely on annual counts should consider the influence of aberrant weather not only coincident with but also preceding surveys if weather patterns are thought to influence behavior or detection probability of target species.

  3. Conduction band mass determinations for n-type InGaAs/InAlAs single quantum wells

    SciTech Connect

    Jones, E.D.; Reno, J.L.; Kotera, Nobuo; Wang, Y.

    1998-05-01

    The authors report the measurement of the conduction band mass in n-type single 27-ML-wide InGaAs/InAlAs quantum well lattice matched to InP using two methods: (1) Magnetoluminescence spectroscopy and (2) far-infrared cyclotron resonance. The magnetoluminescence method utilizes Landau level transitions between 0 and 14 T at 1.4 K. The far infrared cyclotron resonance measurements were made at 4.2 K and to fields as large up to 18 T. The 2D-carrier density N{sub 2D} = 3 {times} 10{sup 11} cm{sup {minus}2} at low temperatures. The magnetoluminescence technique yielded an effective conduction-band mass of m{sub c} = 0.062m{sub 0} while the far infrared cyclotron resonance measurements gave m{sub c} = 0.056m{sub 0}, where m{sub 0} is the free electron mass. Both measurements show no evidence for any significant conduction-band nonparabolicity.

  4. Organic photovoltaic cell incorporating electron conducting exciton blocking layers

    DOEpatents

    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 an analogous device using a conventional blocking layers shown to conduct electrons via damage-induced midgap states.

  5. Band Alignment and Controllable Electron Migration between Rutile and Anatase TiO2

    PubMed Central

    Mi, Yang; Weng, Yuxiang

    2015-01-01

    TiO2 is the most promising semiconductor for photocatalytic splitting of water for hydrogen and degradation of pollutants. The highly photocatalytic active form is its mixed phase of two polymorphs anatase and rutile rather than their pristine compositions. Such a synergetic effect is understood by the staggered band alignment favorable to spatial charge separation. However, electron migration in either direction between the two phases has been reported, the reason of which is still unknown. We determined the band alignment by a novel method, i.e., transient infrared absorption-excitation energy scanning spectra, showing their conduction bands being aligned, thus the electron migration direction is controlled by dynamical factors, such as varying the particle size of anatase, putting electron or hole scavengers on either the surface of anatase or rutile phases, or both. A quantitative criterion capable of predicting the migration direction under various conditions including particle size and surface chemical reactions is proposed, the predictions have been verified experimentally in several typical cases. This would give rise to a great potential in designing more effective titania photocatalysts. PMID:26169699

  6. Conduction band offset determination between strained CdSe and ZnSe layers using DLTS

    SciTech Connect

    Rangel-Kuoppa, Victor-Tapio

    2013-12-04

    The conduction band offset between strained CdSe layers embedded in unintentionally n-type doped ZnSe is measured and reported. Two samples, consisting of thirty Ultra Thin Quantum Wells (UTQWs) of CdSe embedded in ZnSe, grown by Atomic Layer Epitaxy, are used for this study. The thicknesses of the UTQWs are one and three monolayers (MLs) in each sample, respectively. As expected, the sample with one ML UTQWs does not show any energy level in the UTQWs due to the small thickness of the UTQWs, while the thickness of the sample with 3 ML UTQWs is large enough to form an energy level inside the UTQWs. This energy level appears as a majority trap with an activation energy of 223.58 ± 9.54 meV. This corresponds to UTQWs with barrier heights (the conduction band offset) between 742 meV and 784 meV. These values suggest that the band gap misfit between strained CdSe and ZnSe is around 70.5 to 74 % in the conduction band.

  7. Method of forming electronically conducting polymers on conducting and nonconducting substrates

    NASA Technical Reports Server (NTRS)

    Murphy, Oliver J. (Inventor); Hitchens, G. Duncan (Inventor); Hodko, Dalibor (Inventor); Clarke, Eric T. (Inventor); Miller, David L. (Inventor); Parker, Donald L. (Inventor)

    2001-01-01

    The present invention provides electronically conducting polymer films formed from photosensitive formulations of pyrrole and an electron acceptor that have been selectively exposed to UV light, laser light, or electron beams. The formulations may include photoinitiators, flexibilizers, solvents and the like. These solutions can be used in applications including printed circuit boards and through-hole plating and enable direct metallization processes on non-conducting substrates. After forming the conductive polymer patterns, a printed wiring board can be formed by sensitizing the polymer with palladium and electrolytically depositing copper.

  8. Towards improved understanding and conductivity in band-gap-tunable zinc magnesium oxide

    NASA Astrophysics Data System (ADS)

    Ke, Yi

    Alloying MgO into ZnO substantially increases the band-gap energy but reduces the conductivity and makes it harder to be doped with donors. While the former makes it attractive as energy-level-tunable transparent conducting contacts, the latter limits its applications. By combining high quality material synthesis, characterization and theory, we attribute the major limitation on the electrical conductivity of epitaxial Ga-doped Zn0.7Mg0.3O to intrinsic acceptors, such as zinc vacancies, which both trap carriers and increase the ionized impurity scattering (IIS). In addition, it shows that zinc vacancies can form defect complexes with Ga substituted on a Zn site (GaZn) during annealing, and this can increase the mobility by reducing the number of IIS centers. This work establishes that enhancing defect pairing is an effective strategy to increase mobility in semiconductors where IIS limits the transport. Epitaxial Zn0.7Mg0.3O:Ga (1%) thin films were deposited on c-sapphire substrates by pulsed laser deposition. Temperature-dependent Hall effect measurements results indicate that the samples are degenerately n-doped and the mobility is limited by IIS. However, the doping efficiency of Ga is only around 40%. TEM imaging and composition analysis indicate that neither extended defects nor impurities are present at sufficient levels to account for the low ionization efficiency. Thus, we consider intrinsic defects. The detailed analysis of electrical properties suggests that ionized electron killers are present. First-principles calculations of formation enthalpies find that zinc vacancies (VZn) have the lowest formation enthalpy among intrinsic acceptors. Considering a simple model with just four kinds of defects (isolated GaZn, isolated VZn, GaZn-VZn pairs and 2GaZn-VZn clusters), we can derive their concentrations from four independent equations with measured n, micro and Ga concentration as inputs. Analysis performed on samples with different annealing times shows

  9. Electron Heat Conduction in the Phaedrus Tandem Mirror.

    NASA Astrophysics Data System (ADS)

    Smatlak, Donna Lynn

    Experiments to investigate electron heat conduction have been performed on the University of Wisconsin tandem mirror Phaedrus. Electron temperature differences along the magnetic field were generated using a mircowave heat pulse. Probe techniques were developed for the continuous measurement of local electron temperatures with a time resolution of less than one microsecond. Parameter studies indicated that the temperature differences were due to collisionless electron heat transport between the trapped and untrapped electron populations in the plugs and the central cell of a tandem mirror. The detailed time-dependent measurements of the electron temperatures in each plug and in the central cell verified that electron heat conduction is reduced across a thermal barrier. The electron temperature decays in the presence of strong gradients were stable and describable by classical processes. The measured electron temperature evolutions in each region were compared to the predictions of a power balance model which incorporated the theoretical expression for the power lost by collisionless heat transfer and an empirical collisional thermal conduction loss term. Good agreement between the results of the model and the experiment was obtained. Examination of the power balance also indicated tht the microwave power absorbed by the electrons was greater than predicted by single pass absorption. The observation of a density threshold for the heating is suggestive of a nonlinear absorption mechanism such as the two plasmon decay instability.

  10. Conduction electron spin resonance in Mg 1 - x Al x B2

    NASA Astrophysics Data System (ADS)

    Likodimos, V.; Koutandos, S.; Pissas, M.; Papavassiliou, G.; Prassides, K.

    2003-01-01

    Conduction electron spin resonance is employed to study the interplay of the electronic and structural properties in the normal state of Mg 1 - x Al x B2 alloys as a function of Al-doping for 0 <= x <= 1. The x-dependence of the spin susceptibility reveals considerable reduction of the total density of states N(EF) with increasing Al concentration, complying with theoretical predictions for a predominant filling effect of the hole σ bands by electron doping. The CESR linewidth exhibits significant broadening, especially prominent in the high-Al-content region, indicative of the presence of enhanced structural disorder, consistent with the presence of compositional fluctuations.

  11. Damping Effect Studies for X-band Normal Conducting High Gradient Standing Wave Structures

    SciTech Connect

    Pei, S.; Li, Z.; Tantawi, S.G.; Dolgashev, V.A.; Wang, J.; /SLAC

    2009-08-03

    The Multi-TeV colliders should have the capability to accelerate low emittance beam with high rf efficiency, X-band normal conducting high gradient accelerating structure is one of the promising candidate. However, the long range transverse wake field which can cause beam emittance dilution is one of the critical issues. We examined effectiveness of dipole mode damping in three kinds of X-band, {pi}-mode standing wave structures at 11.424GHz with no detuning considered. They represent three damping schemes: damping with cylindrical iris slot, damping with choke cavity and damping with waveguide coupler. We try to reduce external Q factor below 20 in the first two dipole bands, which usually have very high (R{sub T}/Q){sub T}. The effect of damping on the acceleration mode is also discussed.

  12. Co-axial Ka-band Free Electron Maser Using Two-dimensional Feedback

    SciTech Connect

    Phelps, A. D. R.; Konoplev, I. V.; McGrane, P.; Cross, A. W.; He, W.; Whyte, C. G.; Ronald, K.; Thumm, M. K.; Ginzburg, N. S.; Peskov, N. Yu.; Sergeev, A. S.

    2006-01-03

    The first successful experimental studies of microwave radiation from a co-axial Free-Electron Maser (FEM) based on two-dimensional (2D) distributed feedback have been recently conducted. This paper contains a description of the experimental set-up and the results obtained. The high-power pulsed power supply and high-current accelerator (HCA) developed and used to drive the FEM are discussed. The results of the experimental study of the FEM operating in the Ka frequency band are presented and compared with theoretical predictions.

  13. Electronic conduction in nematic phase of small molecules

    NASA Astrophysics Data System (ADS)

    Tokunaga, Keiji; Takayashiki, Yukiko; Iino, Hiroaki; Hanna, Jun-Ichi

    2009-01-01

    We investigated charge-carrier transport in the nematic phase of small molecules such as 2-phenylbenzothiazoles by time-of-flight experiments, in which the conduction mechanism has been considered to be ionic. As a result, we established the hole and electron transports in the nematic phase of highly purified samples: we found that there were two transits, namely, fast and slow transits, in less pure samples; the slow transit was attributed to ionic conduction originating from trace amounts of impurities and the fast transit was attributed to electronic conduction whose attribution was elucidated by mobility changes in the diluted samples with a hydrocarbon of n -tetradecane (n-C14H30) . From these results, we conclude that the intrinsic conduction mechanism in the nematic phase of small molecules is ambipolar and electronic, irrespective of the size of the π -conjugate system of the core moiety. Thus, they provide a new insight into the conduction mechanism in fluidic materials.

  14. Electronic band structure calculations of bismuth-antimony nanowires

    NASA Astrophysics Data System (ADS)

    Levin, Andrei; Dresselhaus, Mildred

    2012-02-01

    Alloys of bismuth and antimony received initial interest due to their unmatched low-temperature thermoelectric performance, and have drawn more recent attention as the first 3D topological insulators. One-dimensional bismuth-antimony (BiSb) nanowires display interesting quantum confinement effects, and are expected to exhibit even better thermoelectric properties than bulk BiSb. Due to the small, anisotropic carrier effective masses, the electronic properties of BiSb nanowires show great sensitivity to nanowire diameter, crystalline orientation, and alloy composition. We develop a theoretical model for calculating the band structure of BiSb nanowires. For a given crystalline orientation, BiSb nanowires can be in the semimetallic, direct semiconducting, or indirect semiconducting phase, depending on nanowire diameter and alloy composition. These ``phase diagrams'' turn out to be remarkably similar among the different orientations, which is surprising in light of the anisotropy of the bulk BiSb Fermi surface. We predict a novel direct semiconducting phase for nanowires with diameter less than ˜15 nm, over a narrow composition range. We also find that, in contrast to the bulk and thin film BiSb cases, a gapless state with Dirac dispersion cannot be realized in BiSb nanowires.

  15. Electronic Power Conditioner for Ku-band Travelling Wave Tube

    NASA Astrophysics Data System (ADS)

    Kowstubha, Palle; Krishnaveni, K.; Ramesh Reddy, K.

    2016-07-01

    A highly sophisticated regulated power supply is known as electronic power conditioner (EPC) is required to energise travelling wave tubes (TWTs), which are used as RF signal amplifiers in satellite payloads. The assembly consisting of TWT and EPC together is known as travelling wave tube amplifier (TWTA). EPC is used to provide isolated and conditioned voltage rails with tight regulation to various electrodes of TWT and makes its RF performance independent of solar bus variations which are caused due to varying conditions of eclipse and sunlit. The payload mass and their power consumption is mainly due to the existence of TWTAs that represent about 35 % of total mass and about 70-90 % (based on the type of satellite application) of overall dc power consumption. This situation ensures a continuous improvement in the design of TWTAs and their associated EPCs to realize more efficient and light products. Critical technologies involved in EPCs are design and configuration, closed loop regulation, component and material selection, energy limiting of high voltage (HV) outputs and potting of HV card etc. This work addresses some of these critical technologies evolved in realizing and testing the state of art of EPC and it focuses on the design of HV supply with a HV and high power capability, up to 6 kV and 170 WRF, respectively required for a space TWTA. Finally, an experimental prototype of EPC with a dc power of 320 W provides different voltages required by Ku-band TWT in open loop configuration.

  16. Transition from spin accumulation into interface states to spin injection in silicon and germanium conduction bands

    NASA Astrophysics Data System (ADS)

    Jain, Abhinav; Rojas-Sanchez, Juan-Carlos; Cubukcu, Murat; Peiro, Julian; Le Breton, Jean-Christophe; Vergnaud, Céline; Augendre, Emmanuel; Vila, Laurent; Attané, Jean-Philippe; Gambarelli, Serge; Jaffrès, Henri; George, Jean-Marie; Jamet, Matthieu

    2013-04-01

    Electrical spin injection into semiconductors paves the way for exploring new phenomena in the area of spin physics and new generations of spintronic devices. However the exact role of interface states in the electrical spin injection mechanism from a magnetic tunnel junction into a semiconductor is still under debate. Here we demonstrate a clear transition from spin accumulation into interface states to spin injection in the conduction band of n-Si and n-Ge using a CoFeB/MgO tunnel contact. We observe spin signal amplification at low temperature due to spin accumulation into interface states followed by a clear transition towards spin injection in the conduction band from approximately 150 K up to room temperature. In this regime, the spin signal is reduced down to a value compatible with the standard spin diffusion model. More interestingly, in the case of germanium, we demonstrate a significant modulation of the spin signal by applying a back-gate voltage to the conduction channel. We also observe the inverse spin Hall effect in Ge by spin pumping from the CoFeB electrode. Both observations are consistent with spin accumulation in the Ge conduction band.

  17. Near valence-band electronic properties of semiconducting β -Ga2O3 (100) single crystals

    NASA Astrophysics Data System (ADS)

    Navarro-Quezada, A.; Alamé, S.; Esser, N.; Furthmüller, J.; Bechstedt, F.; Galazka, Z.; Skuridina, D.; Vogt, P.

    2015-11-01

    β -Ga2O3 is a transparent wide-band-gap semiconductor that has attracted considerable interest in recent years due to its suitable electrical conductivity and transparency in the ultraviolet spectral region. In this work we investigate the electronic properties of the near valence-band-edge region for semiconducting β -Ga2O3 (100) bulk single crystals using core-level photoelectron spectroscopy and ab initio theory within the framework of density functional theory and the GW approach. We find good agreement between the experimental results and the theoretical calculations. This is explained by the hybridization of the Ga 3 d and O 2 s states, similar as for In2O3 .

  18. Indirect Band Gap Emission by Hot Electron Injection in Metal/MoS2 and Metal/WSe2 Heterojunctions

    NASA Astrophysics Data System (ADS)

    Li, Zhen; Ezhilarasu, Goutham; Chatzakis, Ioannis; Dhall, Rohan; Chen, Chun-Chung; Cronin, Stephen

    Transition metal dichalcogenides (TMDCs), such as MoS2 and WSe2, are free of dangling bonds, therefore make more `ideal' Schottky junctions than bulk semiconductors, which produce recombination centers at the interface with metals, inhibiting charge transfer. Here, we observe a more than 10X enhancement in the indirect band gap PL of TMDCs deposited on various metals, while the direct band gap emission remains unchanged. We believe the main mechanism of light emission arises from photoexcited hot electrons in the metal that are injected into the conduction band of MoS2 and WSe2, and subsequently recombine radiatively with minority holes. Since the conduction band at the K-point is 0.5eV higher than at the Σ-point, a lower Schottky barrier of the Σ-point band makes electron injection more favorable. Also, the Σ band consists of the sulfur pz orbital, which overlaps more significantly with the electron wavefunctions in the metal. This enhancement only occurs for thick flakes, and is absent in monolayer and few-layer flakes. Here, the flake thickness must exceed the depletion width of the Schottky junction, in order for efficient radiative recombination to occur in the TMDC. The intensity of this indirect peak decreases at low temperatures. Reference: DOI: 10.1021/acs.nanolett.5b00885

  19. Conducting band structure in LaTiO3/SrTiO3 interfaces

    NASA Astrophysics Data System (ADS)

    Chang, Young Jun; Moreschini, Luca; Bostwick, Aaron; Walter, Andrew L.; Horn, Karsten; Rotenberg, Eli

    2012-02-01

    Oxide interfaces between insulating hosts show unexpected conducting carriers, which can be useful for next-generation electronic applications. However, the fundamental understanding of the conducting interfaces remains elusive. Here we report in situ angle-resolved photoemission spectroscopy (ARPES) studies in the LaTiO3/SrTiO3 heterostructures, of which layer thicknesses were precisely prepared by pulsed laser deposition in the BL7.0, ALS. We found that the interface generates a high-density electron gas over few unit cells from the junction. We further discuss the orbital characteristics of the interface electronic states with comparison to the recent theoretical calculations. Based on the unit-cell layer resolved electronic structure of the LaTiO3/SrTiO3 interface, we discuss the conducting carriers comparing to the LaAlO3/SrTiO3 interfaces.

  20. Pure-oxygen radiative shocks with electron thermal conduction

    NASA Technical Reports Server (NTRS)

    Borkowski, Kazimierz J.; Shull, J. Michael

    1990-01-01

    Steady state radiative shock models in gas composed entirely of oxygen are calculated with the purpose of explaining observations of fast-moving knots in Cas A and other oxygen-rich SNRs. Models with electron thermal conduction differ significantly from models in which conduction is neglected. Conduction reduces postshock electron temperatures by a factor of 7-10 and flattens temperature gradients. The O III ion, whose forbidden emission usually dominates the observed spectra, is present over a wide range of shock velocities, from 100 to 170 km/s. The electron temperature in the O III forbidden line formation region is 30,000 K, in agreement with the 20,000 K derived from observations. All models with conduction have extensive warm (T above 4000 K) photoionization zones, which provides better agreement with observed optical O I line strengths.

  1. Effect of electron-electron interaction on thermal conductivity of disordered systems

    SciTech Connect

    Arfi, B. )

    1992-02-01

    Arfi presents a calculation of a correction to the thermal conductivity due to the inclusion of electron-electron interaction in a disordered metallic system. He finds that, to the first order in electron-electron interaction, the Wiedemann-Franz law is not satisfied.

  2. Longitudinal and transverse vibration control of electronic conductance of a ladder-like graphene nanoribbon

    NASA Astrophysics Data System (ADS)

    Esmaili, Esmat; Mardaani, Mohammad; Rabani, Hassan

    2016-09-01

    The coherent electronic transport in a lengthy narrow nanoribbon, which the atoms of a part of it vibrate in some special modes, is modeled analytically within the tight-binding and harmonic approximations. For the small vibrations, the longitudinal and transverse modes are discussed separately. Two in-plane and one out-of-plane vibrating modes are assumed for the vibratory part which is considered as the center wire. The modes which cause the phononic excitations leading to electron-phonon (e-ph) interaction, are chosen in order to present exact analytic formulation. Moreover, we suppose that the bonds in the benzene rings in the center wire are the same or not the same as the rings in the other parts. We found that in-plane atomic vibrations have greater influence on the conductance with respect to the out-of-plane one. Since two conductance channels contribute in the transport, in the overlapping region of their energy bands, the conductance is affected more by the e-ph interaction. Furthermore, the increase electron scattering originating from decrease of electron group velocity, destroys the conductance at the edges of the system energy band.

  3. Analytical band Monte Carlo simulation of electron impact ionization in In0.53Ga0.47As

    NASA Astrophysics Data System (ADS)

    Choo, K. Y.; Ong, D. S.

    2004-11-01

    An analytical band Monte Carlo model has been developed to study electron transport and impact ionization in In0.53Ga0.47As. Our simulations show that it is important to include the second conduction band at X7 because impact ionization becomes significant in this higher band at fields above 100kV/cm. The higher ionization rate here is found to be responsible for the strong field dependence of the ionization coefficient for electric fields above 180kV/cm. At lower fields the weak field dependence results from the large energy separation between the Γ6 and X7 valleys which confines most of the electrons to the first conduction band, where the ionization rate is lower. Although the electron impact ionization coefficient of InGaAs is comparable to that of GaAs at 300kV /cm, the average electron energy at impact ionization is 1.59eV lower than in GaAs and the average time to impact ionization is almost twice that in GaAs, indicating a slower drift of electrons in InGaAs prior to impact ionization

  4. Role of Electronic Structure In Ion Band State Theory of Low Energy Nuclear Reactions

    NASA Astrophysics Data System (ADS)

    Chubb, Scott

    2004-03-01

    The Nuts and Bolts of our Ion Band State (IBS) theory of low energy nuclear reactions (LENR's) in palladium-deuteride (PdD) and palladium-hydride (PdH) are the electrons that hold together or tear apart the bonds (or lack of bonds) between deuterons (d's) or protons (p's) and the host material. In PdDx and PdH_x, this bonding is strongly correlated with loading: in ambient loading conditions (x< 0. 6), the bonding in hibits IBS occupation. As x arrow 1, slight increases and decreases in loading can lead to vibrations (which have conventionally been thought to occur from phonons) that can induce potential losses or increases of p/d. Naive assumptions about phonons fail to include these losses and increases. These effects can occur because neither H or D has core electrons and because in either PdD or PdH, the electrons near the Fermi Energy have negligible overlap with the nucleus of either D or H. I use these ideas to develop a formal justification, based on a generalization of conventional band theory (Scott Chubb, "Semi-Classical Conduction of Charged and Neutral Particles in Finite Lattices," 2004 March Meeting."), for the idea that occupation of IBS's can occur and that this can lead to nuclear reactions.

  5. Electron conductivity in warm and hot dense matter

    NASA Astrophysics Data System (ADS)

    Starrett, Charles; Charest, Marc; Feinblum, David; Burrill, Daniel

    2015-11-01

    The electronic conductivity of warm and hot dense matter is investigated by combining the Ziman-Evans approach with the recently developed pseudo-atom molecular dynamics (PAMD) method. PAMD gives an accurate description of the electronic and ionic structure of the plasma. The Ziman-Evans approach to conductivity, which takes the electronic and ionic structures as inputs, has been widely used but with numerous different assumptions on these inputs. Here we present a systematic study of these assumptions by comparing results to gold-standard QMD results that are thought to be accurate but are very expensive to produce. The study reveals that some assumptions yield very inaccurate results and should not be used, while others give consistently reasonable results. Finally, we show that the Thomas-Fermi version of PAMD can also be used to give accurate conductivities very rapidly, taking a few minutes per point on a single processor.

  6. Quasi-ballistic Electronic Thermal Conduction in Metal Inverse Opals.

    PubMed

    Barako, Michael T; Sood, Aditya; Zhang, Chi; Wang, Junjie; Kodama, Takashi; Asheghi, Mehdi; Zheng, Xiaolin; Braun, Paul V; Goodson, Kenneth E

    2016-04-13

    Porous metals are used in interfacial transport applications that leverage the combination of electrical and/or thermal conductivity and the large available surface area. As nanomaterials push toward smaller pore sizes to increase the total surface area and reduce diffusion length scales, electron conduction within the metal scaffold becomes suppressed due to increased surface scattering. Here we observe the transition from diffusive to quasi-ballistic thermal conduction using metal inverse opals (IOs), which are metal films that contain a periodic arrangement of interconnected spherical pores. As the material dimensions are reduced from ∼230 nm to ∼23 nm, the thermal conductivity of copper IOs is reduced by more than 57% due to the increase in surface scattering. In contrast, nickel IOs exhibit diffusive-like conduction and have a constant thermal conductivity over this size regime. The quasi-ballistic nature of electron transport at these length scales is modeled considering the inverse opal geometry, surface scattering, and grain boundaries. Understanding the characteristics of electron conduction at the nanoscale is essential to minimizing the total resistance of porous metals for interfacial transport applications, such as the total electrical resistance of battery electrodes and the total thermal resistance of microscale heat exchangers. PMID:26986050

  7. Quasi-ballistic Electronic Thermal Conduction in Metal Inverse Opals.

    PubMed

    Barako, Michael T; Sood, Aditya; Zhang, Chi; Wang, Junjie; Kodama, Takashi; Asheghi, Mehdi; Zheng, Xiaolin; Braun, Paul V; Goodson, Kenneth E

    2016-04-13

    Porous metals are used in interfacial transport applications that leverage the combination of electrical and/or thermal conductivity and the large available surface area. As nanomaterials push toward smaller pore sizes to increase the total surface area and reduce diffusion length scales, electron conduction within the metal scaffold becomes suppressed due to increased surface scattering. Here we observe the transition from diffusive to quasi-ballistic thermal conduction using metal inverse opals (IOs), which are metal films that contain a periodic arrangement of interconnected spherical pores. As the material dimensions are reduced from ∼230 nm to ∼23 nm, the thermal conductivity of copper IOs is reduced by more than 57% due to the increase in surface scattering. In contrast, nickel IOs exhibit diffusive-like conduction and have a constant thermal conductivity over this size regime. The quasi-ballistic nature of electron transport at these length scales is modeled considering the inverse opal geometry, surface scattering, and grain boundaries. Understanding the characteristics of electron conduction at the nanoscale is essential to minimizing the total resistance of porous metals for interfacial transport applications, such as the total electrical resistance of battery electrodes and the total thermal resistance of microscale heat exchangers.

  8. Electronic conduction in molten cryolite saturated with alumina

    SciTech Connect

    Haarberg, G.M.; Osen, K.S.; Thonstad, J. . Labs. of Industrial Electrochemistry); Heus, R.J.; Egan, J.J. )

    1990-01-01

    The Wagner polarization technique was used to study the electronic conduction in the melt Na{sub 3}AlF{sub 6} + Al{sub 2}O{sub 3} at 1000{degree}C. Cells of the following type were employed TaC(s) {vert bar} Na{sub 3}AlF{sub 6} + Al{sub 2}O{sub 3}(sat.)(l) {vert bar} Na {minus} Bi(l){sub x{sub Na}=0.05} (I). Currents were measured at applied potentials lower than the those which would decompose the melt. In this way ionic currents are suppressed and only electronic currents flow. The electronic conductivity is determined from the current versus potential relation. Transient measurements taken on cell (I) yield the diffusion coefficient of electrons in the melt. 8 refs., 3 figs., 1 tab.

  9. Electronic properties of Janus silicene: new direct band gap semiconductors

    NASA Astrophysics Data System (ADS)

    Sun, Minglei; Ren, Qingqiang; Wang, Sake; Yu, Jin; Tang, Wencheng

    2016-11-01

    Using first-principles calculations, we propose a new class of materials, Janus silicene, which is silicene asymmetrically functionalized with hydrogen and halogen atoms. Formation energies and phonon dispersion indicated that all the Janus silicene systems exhibit good kinetic stability. As compared to silicane, all Janus silicene systems are direct band gap semiconductors. The band gap of Janus silicene can take any value between 1.91 and 2.66 eV by carefully tuning the chemical composition of the adatoms. In addition, biaxial elastic strain can further reduce the band gap to 1.11 eV (under a biaxial tensile strain up to 10%). According to moderate direct band gap, these materials demonstrate potential applications in optoelectronics, exhibiting a very wide spectral range, and they are expected to be highly stable under ambient conditions.

  10. Optical Transitions and Electronic Band structure of Cuprous Oxide Thin Films

    NASA Astrophysics Data System (ADS)

    Lee, Hosun; Park, Jun-Woo; Jang, Hyungkeun; Kim, Sung; Choi, Suk-Ho; Kang, Joongoo; Wei, Su-Huai

    2012-02-01

    Cu2O thin films were grown on Si and SiO2/Si substrates via RF sputtering deposition at various temperatures. The Cu2O thin films had a smooth surface when grown at RT, but developed grain boundaries when grown at 300 ^oC. We observed the high-energy photoluminescence (PL) peaks at 3.18 eV (Ep) and 3.27 eV (Eq). The dielectric functions of the Cu2O thin films were measured using spectroscopic ellipsometry. To estimate the critical point (CP) energies, we applied the standard critical point (SCP) model to the second derivative spectra of the dielectric functions (d^2ɛ/dE^2). We also calculated the electronic band structure of bulk Cu2O by using the screened HSE hybrid density functional. Based on the band structure, the CP was estimated as 2.05 eV (E0A(E0B)), 2.77 eV (E0C(E0D)) at the γ point, 4.17 eV (E1A) and 6.10 eV (E2) at the X point, 4.94 eV (E1B) at the R point. The experimental CP energies are consistent with the HSE results, but are systematically smaller than the calculated values by 0.3-0.8 eV due to large electron-hole interaction in CuO2 that was not included in the simulations. The high-energy peaks in the PL spectra at 3.18 eV (Ep) and 3.27 eV (Eq) were attributed to the quasi-direct transitions between the γ valence band and the M and X conduction bands, respectively. The physical origin of the quasi-direct transitions was attributed to the grain boundaries.

  11. Toward Electronic Conductance Characterization of DNA Nucleotide Bases

    SciTech Connect

    Krstic, Predrag S; Wells, Jack C; Fuentes-Cabrera, Miguel A; Xu, Dong; Lee, James Weifu

    2007-03-01

    We calculate electron-transport properties within equilibrium, linear transport theory through the DNA nucleotide bases spanning two gold nanowires. Our quantum mechanical calculations show that single configurations of DNA bases A, C, T, and G have significantly different charge conductance characteristics. This result is consistent with the notion that it is possible to read the nucleotide base sequence on an individual DNA heteropolymer which is moving through a gap between electrically biased nanoelectrodes by measuring the changes in the electron-transport conductance.

  12. Toward Electronic Conductance Characterization of DNA Nucleotide Bases

    SciTech Connect

    Lee, James Weifu; Krstic, Predrag S; Wells, Jack C; Fuentes-Cabrera, Miguel A; Xu, Dong

    2007-01-01

    We calculate electron-transport properties within equilibrium, linear transport theory through the DNA nucleotide bases spanning two gold nanowires. Our quantum mechanical calculations show that single configurations of DNA bases A, C, T, and G have significantly different charge conductance characteristics. This result is consistent with the notion that it is possible to read the nucleotide base sequence on an individual DNA heteropolymer which is moving through a gap between electrically biased nanoelectrodes by measuring the changes in the electron-transport conductance.

  13. A study of electron beam-induced conductivity in resists.

    PubMed

    Hwu, J J; Joy, D C

    1999-01-01

    The charging of polymeric resist materials during electron beam irradiation leads to significant problems during imaging and lithography processes. Charging occurs because of charge deposition in the polymer and charge generation/trapping due to formation of electron-hole pairs in the dielectric. The presence of such charge also results in the phenomena of electron beam-induced conductivity (EBIC). Electron beam-induced conductivity data have been obtained for three commercial e-beam resists under a variety of dose rate and temperature conditions. From the observed values of induced conductivity under varying conditions significant information about the generation of electron-hole pair and the transport of charge in the resist can be obtained. Three electron beam resists, EBR900, ZEP7000, and PBS are examined by an external bias method. The difference in resist chemistry is considered to play the role in the initial state EBIC behaviors among three resists even though the way that it affects the behaviors is not clear. A comparison of the power consumption comparison is proposed as a measure to give a preliminary estimate of the carrier concentration and carrier drift velocity differences among the resists. A simple single trap model with constant activation energy is proposed and provides good agreement with experiment.

  14. Conduction-electron spin resonance in two-dimensional structures

    NASA Astrophysics Data System (ADS)

    Edelstein, Victor M.

    2016-09-01

    The influence of the conduction-electron spin magnetization density, induced in a two-dimensional electron layer by a microwave electromagnetic field, on the reflection and transmission of the field is considered. Because of the induced magnetization and electric current, both the electric and magnetic components of the field should have jumps on the layer. A way to match the waves on two sides of the layer, valid when the quasi-two-dimensional electron gas is in the one-mode state, is proposed. By following this way, the amplitudes of transmitted and reflected waves as well as the absorption coefficient are evaluated.

  15. Highly Spin-Polarized Conducting State at the Interface between Nonmagnetic Band Insulators: LaAlO3/FeS2 (001)

    NASA Astrophysics Data System (ADS)

    Burton, J. D.; Tsymbal, E. Y.

    2012-02-01

    Interface engineering of complex oxide heterostructures allows creating interfaces with properties and functionalities distinct from those typical for the respective bulk constituents. In the spirit of the well known conducting LaAlO3/SrTiO3 interface we study a similar interface with the added functionality of being unambiguously ferromagnetic. Our first-principles density functional calculations demonstrate that such a spin-polarized two-dimensional conducting state can be realized at the (001) interface between the two non-magnetic band insulators FeS2 and LaAlO3. The (001) surface of FeS2(pyrite), a diamagnetic insulator, supports a localized surface state deriving from the Fe d-orbitals near the conduction band minimum. We find that, similar to the LaAlO3/SrTiO3 system, the deposition of a few unit cells of the polar perovskite oxide LaAlO3 leads to electron transfer into these surface bands, thereby creating a conducting interface. The occupation of these narrow bands leads to an exchange splitting between the spin sub-bands, yielding a highly spin-polarized conducting state quite distinct from the rest of the non-magnetic, insulating bulk. [Ref: J. D. Burton and E. Y. Tsymbal, Phys. Rev. Lett. 107, 166601 (2011).

  16. Molecular and electronic structure of the peptide subunit of Geobacter sulfurreducens conductive pili from first principles.

    PubMed

    Feliciano, Gustavo T; da Silva, Antonio J R; Reguera, Gemma; Artacho, Emilio

    2012-08-01

    The respiration of metal oxides by the bacterium Geobacter sulfurreducens requires the assembly of a small peptide (the GS pilin) into conductive filaments termed pili. We gained insights into the contribution of the GS pilin to the pilus conductivity by developing a homology model and performing molecular dynamics simulations of the pilin peptide in vacuo and in solution. The results were consistent with a predominantly helical peptide containing the conserved α-helix region required for pilin assembly but carrying a short carboxy-terminal random-coiled segment rather than the large globular head of other bacterial pilins. The electronic structure of the pilin was also explored from first principles and revealed a biphasic charge distribution along the pilin and a low electronic HOMO-LUMO gap, even in a wet environment. The low electronic band gap was the result of strong electrostatic fields generated by the alignment of the peptide bond dipoles in the pilin's α-helix and by charges from ions in solution and amino acids in the protein. The electronic structure also revealed some level of orbital delocalization in regions of the pilin containing aromatic amino acids and in spatial regions of high resonance where the HOMO and LUMO states are, which could provide an optimal environment for the hopping of electrons under thermal fluctuations. Hence, the structural and electronic features of the pilin revealed in these studies support the notion of a pilin peptide environment optimized for electron conduction. PMID:22779741

  17. Inventory Control. Easily Made Electronic Device for Conductivity Experiments.

    ERIC Educational Resources Information Center

    Gadek, Frank J.

    1987-01-01

    Describes how to construct an electronic device to be used in conductivity experiments using a 35 millimeter film canister, nine volt battery replacement snaps, a 200-300 ohm resistor, and a light-emitting diode. Provides a diagram and photographs of the device. (TW)

  18. Electronically conductive ceramics for high temperature oxidizing environments

    DOEpatents

    Kucera, G.H.; Smith, J.L.; Sim, J.W.

    1983-11-10

    This invention pertains to a high temperature, ceramic composition having electronic conductivity as measured by resistivity below about 500 ohm-cm, chemical stability particularly with respect to cathode conditions in a molten carbonate fuel cell, and composed of an alkali metal, transition metal oxide containing a dopant metal in the crystalline structure to replace a portion of the alkali metal or transition metal.

  19. Electronically conductive ceramics for high temperature oxidizing environments

    DOEpatents

    Kucera, Gene H.; Smith, James L.; Sim, James W.

    1986-01-01

    A high temperature, ceramic composition having electronic conductivity as measured by resistivity below about 500 ohm-cm, chemical stability particularly with respect to cathode conditions in a molten carbonate fuel cell, and composed of an alkali metal, transition metal oxide containing a dopant metal in the crystalline structure to replace a portion of the alkali metal or transition metal.

  20. Organic photovoltaics incorporating electron conducting exciton blocking layers

    NASA Astrophysics Data System (ADS)

    Lassiter, Brian E.; Wei, Guodan; Wang, Siyi; Zimmerman, Jeramy D.; Diev, Viacheslav V.; Thompson, Mark E.; Forrest, Stephen R.

    2011-06-01

    We demonstrate that 3,4,9,10 perylenetetracarboxylic bisbenzimidazole (PTCBI) and 1,4,5,8-napthalene-tetracarboxylic-dianhydride (NTCDA) can function as electron conducting and exciton blocking layers when interposed between the acceptor layer and cathode. A low-resistance contact is provided by PTCBI, while NTCDA acts as an exciton blocking layer and optical spacer. 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 in a functionalized-squaraine/C60-based device, we obtain a spectrally corrected power conversion efficiency of 5.1±0.1% under 1 sun, AM 1.5G simulated solar illumination, an improvement of >25% compared to an analogous device using a conventional bathocuproine layer that has previously been shown to conduct electrons via damage-induced midgap states.

  1. Two-temperature radiative shocks with electron thermal conduction

    NASA Technical Reports Server (NTRS)

    Borkowski, Kazimierz J.; Shull, J. Michael; Mckee, Christopher F.

    1989-01-01

    The influence of electron thermal conduction on radiative shock structure is studied for both one- and two-temperature plasmas. The dimensionless ratio of the conductive length to the cooling length determines whether or not conduction is important, and shock jump conditions with conduction are established for a collisionless shock front. Approximate solutions are obtained, with the assumptions that the ionization state of the gas is constant and the cooling rate is a function of temperature alone. In the absence of magnetic fields, these solutions indicate that conduction noticeably influences normal-abundance interstellar shocks with velocities 50-100 km/s and dramatically affects metal-dominated shocks over a wide range of shock velocities.

  2. Electronic Structure and Doping of P-Type Transparent Conducting Oxides: Preprint

    SciTech Connect

    Wei, S.-H.; Nie, X.; Zhang, S. B.

    2002-05-01

    Transparent conducting oxides (TCOs) are a group of materials that are widely used in solar cells and other optoelectronic devices. Recently, Cu-containing p-type TCOs such as MII Cu2 O2 (MIII=Mg, Ca, Sr, Ba) and CuMIII O2 (MIII=Al, Ga, In) have been proposed. Using first-principles band structure methods, we have systematically studied the electronic and optical properties of these p-type transparent oxides. For MII Cu2 O2 , we predict that adding a small amount of Ca into Sr Cu2 O2 can increase the transparency and conductivity. For CuMIII O2 , we explained the doping and band gap anomalies in this system and proposed a new approach to search for bipolar dopable wide-gap materials.

  3. SrCu2O2: A p-type conductive oxide with wide band gap

    NASA Astrophysics Data System (ADS)

    Kudo, Atsushi; Yanagi, Hiroshi; Hosono, Hideo; Kawazoe, Hiroshi

    1998-07-01

    SrCu2O2 thin films were prepared on SiO2 glass substrates by pulsed laser deposition. The film deposited in O2 atmosphere of 7×10-4 Pa at 573 K showed high optical transmission in visible and near-infrared regions. Potassium was doped at Sr site for substitutional doping. The optical band gap of the K-doped film was estimated to be ˜3.3 eV. The dc electrical conductivity of the K-doped film at 300 K was 4.8×10-2 S cm-1 and the activation energy was 0.10 eV. Positive sign of Seebeck and Hall coefficients demonstrated the p-type conduction of the film. Hole concentration and mobility at 300 K were 6.1×1017cm-3 and 0.46 cm2 V-1 s-1, respectively.

  4. Dimensionality and Localization of Electron States in Conducting Polymers

    NASA Astrophysics Data System (ADS)

    Wang, Zhao Hui

    The electron localization and the dimensionality of conducting polymers are studied by a variety of transport and magnetic techniques. Two model conducting polymer systems, the emeraldine salt form of polyaniline (PAN-ES) and one of its derivatives (POT-ES), are employed in the studies. The electron localization is increased with increasing one-dimensionality of a quasi-one-dimensional disordered system (Quasi-1d-DS). This concept is tested by studying electron localization in polyaniline (PAN) and its methyl ring-substituted derivative poly(o-toluidine) (POT). The experimental results showed greater electron localization in the HCl salt of POT than that of PAN, reflected in much smaller sigma_{DC}, sigma_{MW} and epsilon, increased Curie susceptibility and decreased Pauli-like susceptibility. The localization is attributed to the reduced interchain diffusion rate caused by decreased interchain coherence and increased interchain separation, both of which result from the presence of CH_3 on the C_6 rings. The T-dependences of lnsigma ~ -T^{-1/2} and S(T) ~ S_0 + B/T are interpreted as quasi-1d variable range hopping (VRH) between the nearest neighboring chains. Within the model, electric field (F) dependence of sigma(F)~{cal K}F^{1/2} with { cal K}~ T^{-1/2} can be understood. Charging energy limited tunneling model for granular metals and three-dimensional VRH model with a Coulomb gap are not consistent with the experiment. Other possible mechanisms for electron localization and the general implications for control of dimensionality and conductivity are discussed. The interchain coupling may change the dimensionality of electron states of conducting polymers. It is an open question if "metallic" polymers have one dimensional or three dimensional conduction states. We investigate this issue by studying the oriented polyaniline system. The thermopower, microwave dielectric constant and EPR data suggest that the electrons are three-dimensionally delocalized while the

  5. How to suppress the backscattering of conduction electrons?

    NASA Astrophysics Data System (ADS)

    Kibis, O. V.

    2014-09-01

    It is shown theoretically that the strong coupling of electrons to a high-frequency electromagnetic field results in the nulling of electron backscattering within the Born approximation. The conditions of the effect depend only on field parameters and do not depend on the concrete form of the scattering potential. As a consequence, this phenomenon is of universal physical nature and can take place in various conducting systems. Since the suppression of electron backscattering results in decreasing electrical resistance, the solved quantum-mechanical problem opens a new way to control electronic transport properties of conductors by a laser-generated field. Particularly, the elaborated theory is applicable to nanostructures exposed to a strong monochromatic electromagnetic wave.

  6. Visualizing One-Dimensional Electronic States and their Scattering in Semi-conducting Nanowires

    NASA Astrophysics Data System (ADS)

    Beidenkopf, Haim; Reiner, Jonathan; Norris, Andrew; Nayak, Abhay Kumar; Avraham, Nurit; Shtrikman, Hadas

    One-dimensional electronic systems constitute a fascinating playground for the emergence of exotic electronic effects and phases, within and beyond the Tomonaga-Luttinger liquid paradigm. More recently topological superconductivity and Majorana modes were added to that long list of phenomena. We report scanning tunneling microscopy and spectroscopy measurements conducted on pristine, epitaxialy grown InAs nanowires. We resolve the 1D electronic band structure manifested both via Van-Hove singularities in the local density-of-states, as well as by the quasi-particle interference patterns, induced by scattering from surface impurities. By studying the scattering of the one-dimensional electronic states off various scatterers, including crystallographic defects and the nanowire end, we identify new one-dimensional relaxation regimes and yet unexplored effects of interactions. Some of these may bear implications on the topological superconducting state and Majorana modes therein. The authors acknowledge support from the Israeli Science Foundation (ISF).

  7. The effect of the electron-phonon coupling on the thermal conductivity of silicon nanowires.

    PubMed

    Wan, Wenhui; Xiong, Bangguo; Zhang, Wenxing; Feng, Ji; Wang, Enge

    2012-07-25

    The thermal conductivity of free-standing silicon nanowires (SiNWs) with diameters from 1-3 nm has been studied by using the one-dimensional Boltzmann's transport equation. Our model explicitly accounts for the Umklapp scattering process and electron-phonon coupling effects in the calculation of the phonon scattering rates. The role of the electron-phonon coupling in the heat transport is relatively small for large silicon nanowires. It is found that the effect of the electron-phonon coupling on the thermal conduction is enhanced as the diameter of the silicon nanowires decreases. Electrons in the conduction band scatter low-energy phonons effectively where surface modes dominate, resulting in a smaller thermal conductivity. Neglecting the electron-phonon coupling leads to overestimation of the thermal transport for ultra-thin SiNWs. The detailed study of the phonon density of states from the surface atoms and central atoms shows a better understanding of the nontrivial size dependence of the heat transport in silicon nanowire.

  8. Flat conduction-band alignment at the CdS/CuInSe2 thin-film solar-cell heterojunction

    NASA Astrophysics Data System (ADS)

    Morkel, M.; Weinhardt, L.; Lohmüller, B.; Heske, C.; Umbach, E.; Riedl, W.; Zweigart, S.; Karg, F.

    2001-12-01

    By combining ultraviolet and x-ray photoelectron spectroscopy with inverse photoemission spectroscopy, we find that the conduction-band alignment at the CdS/CuInSe2 thin-film solar-cell heterojunction is flat (0.0±0.2 eV). Furthermore, we observe a valence-band offset of 0.8±0.2 eV. The electronic level alignment is dominated by (1) an unusually large surface band gap of the CuInSe2 thin film (1.4 eV), (2) by a reduced surface band gap of the CdS overlayer (2.2 eV) due to intermixing effects, and (3) by a general influence of the intermixing on the chemical state near the interface.

  9. Micro-metric electronic patterning of a topological band structure using a photon beam

    PubMed Central

    Frantzeskakis, E.; De Jong, N.; Zwartsenberg, B.; Huang, Y. K.; Bay, T. V.; Pronk, P.; Van Heumen, E.; Wu, D.; Pan, Y.; Radovic, M.; Plumb, N. C.; Xu, N.; Shi, M.; De Visser, A.; Golden, M. S.

    2015-01-01

    In an ideal 3D topological insulator (TI), the bulk is insulating and the surface conducting due to the existence of metallic states that are localized on the surface; these are the topological surface states. Quaternary Bi-based compounds of Bi2−xSbxTe3−ySey with finely-tuned bulk stoichiometries are good candidates for realizing ideal 3D TI behavior due to their bulk insulating character. However, despite its insulating bulk in transport experiments, the surface region of Bi2−xSbxTe3−ySey crystals cleaved in ultrahigh vacuum also exhibits occupied states originating from the bulk conduction band. This is due to adsorbate-induced downward band-bending, a phenomenon known from other Bi-based 3D TIs. Here we show, using angle-resolved photoemission, how an EUV light beam of moderate flux can be used to exclude these topologically trivial states from the Fermi level of Bi1.46Sb0.54Te1.7Se1.3 single crystals, thereby re-establishing the purely topological character of the low lying electronic states of the system. We furthermore prove that this process is highly local in nature in this bulk-insulating TI, and are thus able to imprint structures in the spatial energy landscape at the surface. We illustrate this by ‘writing’ micron-sized letters in the Dirac point energy of the system. PMID:26543011

  10. Micro-metric electronic patterning of a topological band structure using a photon beam.

    PubMed

    Frantzeskakis, E; De Jong, N; Zwartsenberg, B; Huang, Y K; Bay, T V; Pronk, P; Van Heumen, E; Wu, D; Pan, Y; Radovic, M; Plumb, N C; Xu, N; Shi, M; De Visser, A; Golden, M S

    2015-01-01

    In an ideal 3D topological insulator (TI), the bulk is insulating and the surface conducting due to the existence of metallic states that are localized on the surface; these are the topological surface states. Quaternary Bi-based compounds of Bi(2-x)Sb(x)Te(3-y)Se(y) with finely-tuned bulk stoichiometries are good candidates for realizing ideal 3D TI behavior due to their bulk insulating character. However, despite its insulating bulk in transport experiments, the surface region of Bi(2-x)Sb(x)Te(3-y)Se(y) crystals cleaved in ultrahigh vacuum also exhibits occupied states originating from the bulk conduction band. This is due to adsorbate-induced downward band-bending, a phenomenon known from other Bi-based 3D TIs. Here we show, using angle-resolved photoemission, how an EUV light beam of moderate flux can be used to exclude these topologically trivial states from the Fermi level of Bi1.46Sb0.54Te1.7Se1.3 single crystals, thereby re-establishing the purely topological character of the low lying electronic states of the system. We furthermore prove that this process is highly local in nature in this bulk-insulating TI, and are thus able to imprint structures in the spatial energy landscape at the surface. We illustrate this by 'writing' micron-sized letters in the Dirac point energy of the system. PMID:26543011

  11. Energy band engineering and controlled p-type conductivity of CuAlO2 thin films by nonisovalent Cu-O alloying

    NASA Astrophysics Data System (ADS)

    Yao, Z. Q.; He, B.; Zhang, L.; Zhuang, C. Q.; Ng, T. W.; Liu, S. L.; Vogel, M.; Kumar, A.; Zhang, W. J.; Lee, C. S.; Lee, S. T.; Jiang, X.

    2012-02-01

    The electronic band structure and p-type conductivity of CuAlO2 films were modified via synergistic effects of energy band offset and partial substitution of less-dispersive Cu+ 3d10 with Cu2+ 3d9 orbitals in the valence band maximum by alloying nonisovalent Cu-O with CuAlO2 host. The Cu-O/CuAlO2 alloying films show excellent electronic properties with tunable wide direct bandgaps (˜3.46-3.87 eV); Hall measurements verify the highest hole mobilities (˜11.3-39.5 cm2/Vs) achieved thus far for CuAlO2 thin films and crystals. Top-gate thin film transistors constructed on p-CuAlO2 films were presented, and the devices showed pronounced performance with Ion/Ioff of ˜8.0 × 102 and field effect mobility of 0.97 cm2/Vs.

  12. Hydrogen production by Tuning the Photonic Band Gap with the Electronic Band Gap of TiO2

    NASA Astrophysics Data System (ADS)

    Waterhouse, G. I. N.; Wahab, A. K.; Al-Oufi, M.; Jovic, V.; Anjum, D. H.; Sun-Waterhouse, D.; Llorca, J.; Idriss, H.

    2013-10-01

    Tuning the photonic band gap (PBG) to the electronic band gap (EBG) of Au/TiO2 catalysts resulted in considerable enhancement of the photocatalytic water splitting to hydrogen under direct sunlight. Au/TiO2 (PBG-357 nm) photocatalyst exhibited superior photocatalytic performance under both UV and sunlight compared to the Au/TiO2 (PBG-585 nm) photocatalyst and both are higher than Au/TiO2 without the 3 dimensionally ordered macro-porous structure materials. The very high photocatalytic activity is attributed to suppression of a fraction of electron-hole recombination route due to the co-incidence of the PBG with the EBG of TiO2 These materials that maintain their activity with very small amount of sacrificial agents (down to 0.5 vol.% of ethanol) are poised to find direct applications because of their high activity, low cost of the process, simplicity and stability.

  13. Theory of the spin relaxation of conduction electrons in silicon.

    PubMed

    Cheng, J L; Wu, M W; Fabian, J

    2010-01-01

    A realistic pseudopotential model is introduced to investigate the phonon-induced spin relaxation of conduction electrons in bulk silicon. We find a surprisingly subtle interference of the Elliott and Yafet processes affecting the spin relaxation over a wide temperature range, suppressing the significance of the intravalley spin-flip scattering, previously considered dominant, above roughly 120 K. The calculated spin relaxation times T1 agree with the spin resonance and spin injection data, following a T(-3) temperature dependence. The valley anisotropy of T1 and the spin relaxation rates for hot electrons are predicted.

  14. Effect of band gap energy on the electrical conductivity in doped ZnO thin film

    NASA Astrophysics Data System (ADS)

    Benramache, Said; Belahssen, Okba; Ben Temam, Hachemi

    2014-07-01

    The transparent conductive pure and doped zinc oxide thin films with aluminum, cobalt and indium were deposited by ultrasonic spray technique on glass substrate at 350 °C. This paper is to present a new approach to the description of correlation between electrical conductivity and optical gap energy with dopants' concentration of Al, Co and In. The correlation between the electrical and optical properties with doping level suggests that the electrical conductivity of the films is predominantly estimated by the band gap energy and the concentrations of Al, Co and In. The measurement in the electrical conductivity of doped films with correlation is equal to the experimental value, the error of this correlation is smaller than 13%. The minimum error value was estimated in the cobalt-doped ZnO thin films. This result indicates that such Co-doped ZnO thin films are chemically purer and have far fewer defects and less disorder owing to an almost complete chemical decomposition.

  15. Quantum Unfolding: A program for unfolding electronic energy bands of materials

    NASA Astrophysics Data System (ADS)

    Zheng, Fawei; Zhang, Ping; Duan, Wenhui

    2015-04-01

    We present Quantum Unfolding, a Fortran90 program for unfolding first-principles electronic energy bands. It unfolds energy bands accurately by handling the Fourier components of Bloch wavefunctions, which are reconstructed from Wannier functions from Wannier90. Due to the wide application of Wannier90 package and the possibility of focusing only on the most important energy bands, the present code works very conveniently.

  16. Band offsets of n-type electron-selective contacts on cuprous oxide (Cu2O) for photovoltaics

    NASA Astrophysics Data System (ADS)

    Brandt, Riley E.; Young, Matthew; Park, Helen Hejin; Dameron, Arrelaine; Chua, Danny; Lee, Yun Seog; Teeter, Glenn; Gordon, Roy G.; Buonassisi, Tonio

    2014-12-01

    The development of cuprous oxide (Cu2O) photovoltaics (PVs) is limited by low device open-circuit voltages. A strong contributing factor to this underperformance is the conduction-band offset between Cu2O and its n-type heterojunction partner or electron-selective contact. In the present work, a broad range of possible n-type materials is surveyed, including ZnO, ZnS, Zn(O,S), (Mg,Zn)O, TiO2, CdS, and Ga2O3. Band offsets are determined through X-ray photoelectron spectroscopy and optical bandgap measurements. A majority of these materials is identified as having a negative conduction-band offset with respect to Cu2O; the detrimental impact of this on open-circuit voltage (VOC) is evaluated through 1-D device simulation. These results suggest that doping density of the n-type material is important as well, and that a poorly optimized heterojunction can easily mask changes in bulk minority carrier lifetime. Promising heterojunction candidates identified here include Zn(O,S) with [S]/[Zn] ratios >70%, and Ga2O3, which both demonstrate slightly positive conduction-band offsets and high VOC potential. This experimental protocol and modeling may be generalized to evaluate the efficiency potential of candidate heterojunction partners for other PV absorbers, and the materials identified herein may be promising for other absorbers with low electron affinities.

  17. Rearrangement of 1D conducting nanomaterials towards highly electrically conducting nanocomposite fibres for electronic textiles.

    PubMed

    Han, Joong Tark; Choi, Sua; Jang, Jeong In; Seol, Seung Kwon; Woo, Jong Seok; Jeong, Hee Jin; Jeong, Seung Yol; Baeg, Kang-Jun; Lee, Geon-Woong

    2015-01-01

    Nanocarbon-based conducting fibres have been produced using solution- or dry-spinning techniques. Highly conductive polymer-composite fibres containing large amounts of conducting nanomaterials have not been produced without dispersants, however, because of the severe aggregation of conducting materials in high-concentration colloidal solutions. Here we show that highly conductive (electrical conductivity ~1.5 × 10(5) S m(-1)) polymer-composite fibres containing carbon nanotubes and silver nanowires can be fabricated via a conventional solution-spinning process without any other treatment. Spinning dopes were fabricated by a simple mixing of a polyvinyl alcohol solution in dimethylsulfoxide with a paste of long multi-walled carbon nanotubes dispersed in organic solvents, assisted by quadruple hydrogen-bonding networks and an aqueous silver nanowire dispersion. The high electrical conductivity of the fibre was achieved by rearrangement of silver nanowires towards the fibre skin during coagulation because of the selective favourable interaction between the silver nanowires and coagulation solvents. The prepared conducting fibres provide applications in electronic textiles such as a textile interconnector of light emitting diodes, flexible textile heaters, and touch gloves for capacitive touch sensors. PMID:25792333

  18. Rearrangement of 1D Conducting Nanomaterials towards Highly Electrically Conducting Nanocomposite Fibres for Electronic Textiles

    NASA Astrophysics Data System (ADS)

    Han, Joong Tark; Choi, Sua; Jang, Jeong In; Seol, Seung Kwon; Woo, Jong Seok; Jeong, Hee Jin; Jeong, Seung Yol; Baeg, Kang-Jun; Lee, Geon-Woong

    2015-03-01

    Nanocarbon-based conducting fibres have been produced using solution- or dry-spinning techniques. Highly conductive polymer-composite fibres containing large amounts of conducting nanomaterials have not been produced without dispersants, however, because of the severe aggregation of conducting materials in high-concentration colloidal solutions. Here we show that highly conductive (electrical conductivity ~1.5 × 105 S m-1) polymer-composite fibres containing carbon nanotubes and silver nanowires can be fabricated via a conventional solution-spinning process without any other treatment. Spinning dopes were fabricated by a simple mixing of a polyvinyl alcohol solution in dimethylsulfoxide with a paste of long multi-walled carbon nanotubes dispersed in organic solvents, assisted by quadruple hydrogen-bonding networks and an aqueous silver nanowire dispersion. The high electrical conductivity of the fibre was achieved by rearrangement of silver nanowires towards the fibre skin during coagulation because of the selective favourable interaction between the silver nanowires and coagulation solvents. The prepared conducting fibres provide applications in electronic textiles such as a textile interconnector of light emitting diodes, flexible textile heaters, and touch gloves for capacitive touch sensors.

  19. Rearrangement of 1D Conducting Nanomaterials towards Highly Electrically Conducting Nanocomposite Fibres for Electronic Textiles

    PubMed Central

    Han, Joong Tark; Choi, Sua; Jang, Jeong In; Seol, Seung Kwon; Woo, Jong Seok; Jeong, Hee Jin; Jeong, Seung Yol; Baeg, Kang-Jun; Lee, Geon-Woong

    2015-01-01

    Nanocarbon-based conducting fibres have been produced using solution- or dry-spinning techniques. Highly conductive polymer-composite fibres containing large amounts of conducting nanomaterials have not been produced without dispersants, however, because of the severe aggregation of conducting materials in high-concentration colloidal solutions. Here we show that highly conductive (electrical conductivity ~1.5 × 105 S m−1) polymer-composite fibres containing carbon nanotubes and silver nanowires can be fabricated via a conventional solution-spinning process without any other treatment. Spinning dopes were fabricated by a simple mixing of a polyvinyl alcohol solution in dimethylsulfoxide with a paste of long multi-walled carbon nanotubes dispersed in organic solvents, assisted by quadruple hydrogen-bonding networks and an aqueous silver nanowire dispersion. The high electrical conductivity of the fibre was achieved by rearrangement of silver nanowires towards the fibre skin during coagulation because of the selective favourable interaction between the silver nanowires and coagulation solvents. The prepared conducting fibres provide applications in electronic textiles such as a textile interconnector of light emitting diodes, flexible textile heaters, and touch gloves for capacitive touch sensors. PMID:25792333

  20. Magnetic bistability and Overhauser shift of conduction electrons in gallium oxide

    NASA Astrophysics Data System (ADS)

    Aubay, Eric; Gourier, Didier

    1993-06-01

    We study the intrinsic magnetic bistability of conduction-electron spins in gallium oxide β-Ga2O3 by electron-paramagnetic-resonance (EPR) spectroscopy. This compound, normally an insulator, becomes an n-type semiconductor when synthesized under reducing conditions. The crystals studied in this work have a conductivity of 180-200 Ω-1 cm-1 at room temperature and 140 Ω-1 cm-1 at liquid-helium temperature. It has been previously shown [J. Phys. Chem. 96, 5513 (1992)] that the hyperfine interaction between conduction-electron spins and nuclear spins of gallium is responsible for a strong dynamic nuclear polarization when the EPR of conduction electrons is saturated (Overhauser effect). The resulting nuclear field acting on the electron spins was found to be bistable, which causes a hysteresis of the resonance line. In this work we demonstrate that hysteresis can be theoretically produced by three different control parameters: the external magnetic field B0, the microwave frequency ν, and the microwave field B1 (or the microwave power P). A model is presented for the EPR line shape under bistable dynamic nuclear polarization, which is in fair agreement with experimental results for gallium oxide. We verify in this compound the existence of hysteresis of the EPR intensity upon positive and negative variations of the incident microwave power. The effect of sample size on bistability is also investigated. It is shown that this phenomenon can disappear if the sample size is larger than the skin depth of the compound. Bistability at room temperature in gallium oxide is found to be very sensitive to this size effect. The Overhauser shift of conduction electrons is also studied as a function of temperature. This parameter gives details on the hyperfine interaction between charge carriers and magnetic nuclei despite the extreme motional narrowing of the EPR line. The results are interpreted in terms of electronic transport at low temperatures involving an impurity band

  1. Mixed ionic and electronic conducting ceramic membranes for hydrocarbon processing

    DOEpatents

    Van Calcar, Pamela; Mackay, Richard; Sammells, Anthony F.

    2002-01-01

    The invention relates to mixed phase materials for the preparation of catalytic membranes which exhibit ionic and electronic conduction and which exhibit improved mechanical strength compared to single phase ionic and electronic conducting materials. The mixed phase materials are useful for forming gas impermeable membranes either as dense ceramic membranes or as dense thin films coated onto porous substrates. The membranes and materials of this invention are useful in catalytic membrane reactors in a variety of applications including synthesis gas production. One or more crystalline second phases are present in the mixed phase material at a level sufficient to enhance the mechanical strength of the mixture to provide membranes for practical application in CMRs.

  2. Electronic conduction processes in DNA-doped polypyrrole nanocomposite films

    NASA Astrophysics Data System (ADS)

    Dutta, P.; Mandal, S. K.

    2004-03-01

    The electron transport process in DNA-doped polypyrrole (PPY) nanocomposite film deposited on tin oxide coated glass by a simple electrodeposition technique is demonstrated here. Optical absorbance spectra clearly exhibited features corresponding to doped PPY nanocomposite film. The I-V characteristics of the films were non-ohmic and showed a significant change when illuminated with light. Photoinduced I-V profiles suggested carrier hopping to be the dominant transport mechanism in the nanocomposite PPY film. The temperature-dependent dc electrical conductivity data showed a crossover from variable-range hopping to thermally activated hopping of electrons with the increase in temperature. The ac electrical transport properties displayed a frequency-independent region below a characteristic frequency of {\\sim } 400 kHz, above which the conductivity showed a strong frequency-dependent behaviour.

  3. Effects of electron-beam irradiation on conducting polypyrrole nanowires

    SciTech Connect

    Hong, Young Ki; Park, Dong Hyuk; Park, Se Hee; Park, Soung Kyu; Joo, Jinsoo

    2009-02-02

    Conducting polypyrrole (PPy) nanowires (NWs) were irradiated by a relatively high energy (300 keV-2 MeV) electron-beam (e-beam) generated from a linear electron accelerator in an atmospheric environment. From the current-voltage characteristics of pristine and 2 MeV e-beam irradiated PPy NWs, we observed a dramatic variation in resistance from 8.0x10{sup 2} to 1.45x10{sup 8} {omega}, that is, we observed a transition from conducting states to nonconducting states through the e-beam irradiation. To discern conformational changes and the doping states of PPy NWs through the e-beam irradiation, we measured Raman and ultraviolet-visible absorption spectra for the PPy NWs. As the energy of the e-beam irradiation increased, we observed that the PPy NWs were changed from doping states to dedoping states with conformational modification including the variation in {pi}-conjugation length.

  4. Molecular Models for Conductance in Junctions and Electrochemical Electron Transfer

    NASA Astrophysics Data System (ADS)

    Mazinani, Shobeir Khezr Seddigh

    This thesis develops molecular models for electron transport in molecular junctions and intra-molecular electron transfer. The goal is to identify molecular descriptors that afford a substantial simplification of these electronic processes. First, the connection between static molecular polarizability and the molecular conductance is examined. A correlation emerges whereby the measured conductance of a tunneling junction decreases as a function of the calculated molecular polarizability for several systems, a result consistent with the idea of a molecule as a polarizable dielectric. A model based on a macroscopic extension of the Clausius-Mossotti equation to the molecular domain and Simmon's tunneling model is developed to explain this correlation. Despite the simplicity of the theory, it paves the way for further experimental, conceptual and theoretical developments in the use of molecular descriptors to describe both conductance and electron transfer. Second, the conductance of several biologically relevant, weakly bonded, hydrogen-bonded systems is systematically investigated. While there is no correlation between hydrogen bond strength and conductance, the results indicate a relation between the conductance and atomic polarizability of the hydrogen bond acceptor atom. The relevance of these results to electron transfer in biological systems is discussed. Hydrogen production and oxidation using catalysts inspired by hydrogenases provides a more sustainable alternative to the use of precious metals. To understand electrochemical and spectroscopic properties of a collection of Fe and Ni mimics of hydrogenases, high-level density functional theory calculations are described. The results, based on a detailed analysis of the energies, charges and molecular orbitals of these metal complexes, indicate the importance of geometric constraints imposed by the ligand on molecular properties such as acidity and electrocatalytic activity. Based on model calculations of

  5. New secondary batteries utilizing electronically conductive polymer cathodes

    NASA Technical Reports Server (NTRS)

    Martin, Charles R.; White, Ralph E.

    1987-01-01

    The objectives are to optimize the transport rates in electronically conductive polypyrrole films by controlling the morphology of the film and to assess the utility of these films as cathodes in a lithium/polypyrrole secondary battery. During this research period, a better understanding was gained of the fundamental electrochemical switching processes within the polypyrrole film. Three publications were submitted based on the work completed.

  6. Millimeter scale electron conduction through exoelectrogenic mixed species biofilms.

    PubMed

    Li, Cheng; Lesnik, Keaton Larson; Fan, Yanzhen; Liu, Hong

    2016-08-01

    The functioning of many natural and engineered environments is dependent on long distance electron transfer mediated through electrical currents. These currents have been observed in exoelectrogenic biofilms and it has been proposed that microbial biofilms can mediate electron transfer via electrical currents on the centimeter scale. However, direct evidence to confirm this hypothesis has not been demonstrated and the longest known electrical transfer distance for single species exoelectrogenic biofilms is limited to 100 μm. In the present study, biofilms were developed on electrodes with electrically non-conductive gaps from 50 μm to 1 mm and the in situ conductance of biofilms was evaluated over time. Results demonstrated that the exoelectrogenic mixed species biofilms in the present study possess the ability to transfer electrons through electrical currents over a distance of up to 1 mm, 10 times further than previously observed. Results indicate the possibility of interspecies interactions playing an important role in the spatial development of exoelectrogenic biofilms, suggesting that these biological networks might remain conductive even at longer distance. These findings have significant implications in regards to future optimization of microbial electrochemical systems.

  7. Electron Exchange and Conduction in Nontronite from First-Principles

    SciTech Connect

    Alexandrov, Vitali Y.; Neumann, Anke; Scherer, Michelle; Rosso, Kevin M.

    2013-01-11

    Fe-bearing clay minerals serve as an important source and sink for electrons in redox reactions in various subsurface geochemical environments, and electron transfer (ET) properties of the Fe2+/Fe3+ redox couple play a decisive role in a variety of physicochemical processes involving clays. Here, we apply first-principles calculations using both periodic GGA+U planewave and Hartree-Fock molecular-cluster frameworks in conjuction with small polaron hopping approach and Marcus electron transfer theory to examine electron exchange mobilities in an Fe-rich smectite, taking nontronite as a case study. GGA+U calculations of the activation barrier for small-polaron migration provide rates of electron hopping that agree very well with values deduced from variable temperature Mössbauer data (M. V. Schaefer, et. al., Environ. Sci. Technol. 45, 540, (2011)), indicating a surprisingly fast electron mobility at room temperature. Based on molecular cluster calculations, we show that the state with tetrahedral Fe2+ ion in the nontronite lattice is about 0.9 eV higher than the one with octahedral Fe2+. Also, evaluation of the ET rates for the Fe2+/Fe3+ electron hopping in tetrahedral (TS) and octahedral sheets (OS), as well as across the sheets (TS–OS) shows that the dominant contribution to the bulk electronic conductivity should come from the ET within the OS. Deprotonation of structural OH groups mediating ET between the Fe ions in the OS is found to decrease the internal reorganization energy and to increase the magnitude of the electronic coupling matrix element, whereas protonation (to OH2 groups) has the opposite effect. Overall, our calculations suggest that the major factors affecting ET rates are the nature and structure of the nearest-neighbor local environment and the degree of covalency of the bonds between Fe and ligands mediating electron hops. The generally higher reorganization energy and weaker electronic coupling found in Fe-bearing clay minerals leads to

  8. Shear-deformation-potential constant of the conduction-band minima of Si: Experimental determination by the deep-level capacitance transient method

    NASA Astrophysics Data System (ADS)

    Li, Ming-Fu; Zhao, Xue-Shu; Gu, Zong-Quan; Chen, Jian-Xin; Li, Yan-Jin; Wang, Jian-Qing

    1991-06-01

    The shear-deformation-potential constant Ξu of the conduction-band minima of Si has been measured by a method which we called deep-level capacitance transient under uniaxial stress. The uniaxial-stress (F) dependence of the electron emission rate en from deep levels to the split conduction-band minima of Si has been analyzed. Theoretical curves are in good agreement with experimental data for the S0 and S+ deep levels in Si. The values of Ξu obtained by the method are 11.1+/-0.3 eV at 148.9 K and 11.3+/-0.3 eV at 223.6 K. The analysis and the Ξu values obtained are also valuable for symmetry determination of deep electron traps in Si.

  9. Studies of Electronic Conduction in Some Small Gallium Arsenic Based.

    NASA Astrophysics Data System (ADS)

    Whittington, Geoffrey

    Available from UMI in association with The British Library. Requires signed TDF. This thesis describes experimental investigations of the physics involved with low temperature electronic conduction in three different semiconductor systems. The research relies upon technological advances in fabrication of such semiconductor samples. The first work deals with the effects of quantum interference of electrons in some submicron size, heavily doped Gallium Arsenide wire samples. The interesting effect of aperiodic fluctuations in the magnetoresistance of these samples is studied, making use of recently formulated theory on the subject, and with experimental data taken over the magnetic field range 0 to 10 tesla. The results verify the connection between the mean amplitude of the fluctuations and the field correlation period, in terms of the correlation function introduced in the theory. The second work is on the impurity-assisted tunnelling conduction in a magnetic field of three thin rm n^{+}/n^{-}/n^ {+} GaAs sandwich layer structures. The conduction of the system is shown to be determined by impurities lying in the centre of the middle layer. This allows the connection to be made between the conductivity of the system in a magnetic field, and the field-dependent shape of the donor electron wavefunction. The relative variation in resistance with angle to an applied magnetic field was measured, and is shown to be in agreement with predictions based on calculations of the shape of a normalised hydrogenic state wavefunction in high magnetic fields. The third work concerns the tunnelling conduction of a symmetrical GaAs/(AlGa)As/GaAs hetero-barrier system. The current-voltage characteristics at low temperature are fully modelled for applied voltages up to 180mV, using conventional theory of tunnelling and a position-dependent effective mass in the barrier. Low current oscillations in the Fowler-Nordheim tunnelling regime, corresponding to quantum reflection at the

  10. Differential cross sections for electron impact excitation of the electronic bands of phenol

    SciTech Connect

    Neves, R. F. C.; Jones, D. B.; Lopes, M. C. A.; Nixon, K. L.; Silva, G. B. da; Duque, H. V.; Oliveira, E. M. de; Lima, M. A. P.; Costa, R. F. da; Varella, M. T. do N.; Bettega, M. H. F.; and others

    2015-03-14

    We report results from a joint theoretical and experimental investigation into electron scattering from the important organic species phenol (C{sub 6}H{sub 5}OH). Specifically, differential cross sections (DCSs) have been measured and calculated for the electron-impact excitation of the electronic states of C{sub 6}H{sub 5}OH. The measurements were carried out at energies in the range 15–40 eV, and for scattered-electron angles between 10{sup ∘} and 90{sup ∘}. The energy resolution of those experiments was typically ∼80 meV. Corresponding Schwinger multichannel method with pseudo-potentials calculations, with and without Born-closure, were also performed for a sub-set of the excited electronic-states that were accessed in the measurements. Those calculations were conducted at the static exchange plus polarisation (SEP)-level using a minimum orbital basis for single configuration interaction (MOBSCI) approach. Agreement between the measured and calculated DCSs was typically fair, although to obtain quantitative accord, the theory would need to incorporate even more channels into the MOBSCI.

  11. Waveguide Characterization of S-Band Microwave Mantle Cloaks for Dielectric and Conducting Objects

    NASA Astrophysics Data System (ADS)

    Vitiello, Antonino; Moccia, Massimo; Papari, Gian Paolo; D'Alterio, Giuliana; Vitiello, Roberto; Galdi, Vincenzo; Andreone, Antonello

    2016-01-01

    We present the experimental characterization of mantle cloaks designed so as to minimize the electromagnetic scattering of moderately-sized dielectric and conducting cylinders at S-band microwave frequencies. Our experimental setup is based on a parallel-plate waveguide system, which emulates a two-dimensional plane-wave scattering scenario, and allows the collection of near-field maps as well as more quantitative assessments in terms of global scattering observables (e.g., total scattering width). Our results, in fairly good agreement with full-wave numerical simulations, provide a further illustration of the mantle- cloak mechanism, including its frequency-sensitivity, and confirm its effectiveness both in restoring the near-field impinging wavefront around the scatterer, and in significantly reducing the overall scattering.

  12. Shear-deformation-potential constant of the conduction-band minima of Si: Pseudopotential calculations

    NASA Astrophysics Data System (ADS)

    Li, Ming-Fu; Gu, Zong-Quan; Wang, Jian-Qing

    1990-09-01

    We have calculated the value of the shear-deformation-potential constant Ξu of the conduction-band minima of Si and its temperature coefficient dΞu/dT. The value of Ξu is 9.0 eV for an ab initio pseudopotential calculation and 10.8 eV by the empirical-pseudopotential method (EPM), in good agreement with our experiment. The EPM calculations of the temperature dependence of Ξu yield the values of (dΞu/dT)||DW=-0.04 meV/K due to the Debye-Waller contribution, and (dΞu/dT)||TE=-0.04 meV/K for thermal expansion. We suspect and suggest that the existing experimental value of dΞu/dT~=+3 meV/K is unreliable due to large experimental uncertainty.

  13. Waveguide Characterization of S-Band Microwave Mantle Cloaks for Dielectric and Conducting Objects

    PubMed Central

    Vitiello, Antonino; Moccia, Massimo; Papari, Gian Paolo; D’Alterio, Giuliana; Vitiello, Roberto; Galdi, Vincenzo; Andreone, Antonello

    2016-01-01

    We present the experimental characterization of mantle cloaks designed so as to minimize the electromagnetic scattering of moderately-sized dielectric and conducting cylinders at S-band microwave frequencies. Our experimental setup is based on a parallel-plate waveguide system, which emulates a two-dimensional plane-wave scattering scenario, and allows the collection of near-field maps as well as more quantitative assessments in terms of global scattering observables (e.g., total scattering width). Our results, in fairly good agreement with full-wave numerical simulations, provide a further illustration of the mantle- cloak mechanism, including its frequency-sensitivity, and confirm its effectiveness both in restoring the near-field impinging wavefront around the scatterer, and in significantly reducing the overall scattering. PMID:26803985

  14. Experimental Observation of Quantum Confinement in the Conduction Band of CdSe Quantum Dots

    SciTech Connect

    Lee, J I; Meulenberg, R W; Hanif, K M; Mattoussi, H; Klepeis, J E; Terminello, L J; van Buuren, T

    2006-12-15

    Recent theoretical descriptions as to the magnitude of effect that quantum confinement has on he conduction band (CB) of CdSe quantum dots (QD) have been conflicting. In this manuscript, we experimentally identify quantum confinement effects in the CB of CdSe QDs for the first time. Using X-ray absorption spectroscopy, we have unambiguously witnessed the CB minimum shift to higher energy with decreasing particle size and have been able to compare these results to recent theories. Our experiments have been able to identify which theories correctly describe the CB states in CdSe QDs. In particular, our experiments suggest that multiple theories describe the shifts in the CB of CdSe QDs and are not mutually exclusive.

  15. Development of 256 x 256 Element Impurity Band Conduction Infrared Detector Arrays for Astronomy

    NASA Technical Reports Server (NTRS)

    Domingo, George

    1997-01-01

    This report describes the work performed on a one and a half year advance technology program to develop Impurity Band Conduction (IBC) detectors with very low dark current, high quantum efficiency, and with good repeatable processes. The program fabricated several epitaxial growths of Si:As detecting layers from 15 to 35 microns thick and analyzed the performance versus the thickness and the Arsenic concentration of these epitaxial layers. Some of the epitaxial runs did not yield because of excessive residual impurities. The thicker epitaxial layers and the ones with higher Arsenic concentration resulted in good detectors with low dark currents and good quantum efficiency. The program hybridized six detector die from the best detector wafers to a low noise, 256 x 256 readout array and delivered the hybrids to NASA Ames for a more detailed study of the performance of the detectors.

  16. Improvement by heating of the electronic conductivity of cobalt spinel phases, electrochemically synthesized in various electrolytes

    SciTech Connect

    Douin, Myriam; Guerlou-Demourgues, Liliane; Menetrier, Michel; Bekaert, Emilie; Goubault, Lionel; Bernard, Patrick; Delmas, Claude

    2009-05-15

    The nature of the alkaline electrolyte (based on KOH, NaOH, LiOH), in which Co{sub 3}O{sub 4} spinel type phases are synthesized by electrooxidation of CoO, is shown to play a key role on the composition, the structure and the electronic conductivity of the materials. In the materials, prepared in pure LiOH electrolyte or in mixed ternary electrolyte (KOH, NaOH, LiOH), Co{sup 4+} ions are present in the octahedral framework, which entails electronic delocalization in the cobalt T{sub 2g} band and a high conductivity. The structure of the sample, synthesized in KOH, is on the opposite closer to that of ideal Co{sub 3}O{sub 4}, with only Co{sup 3+} in the octahedral sublattice, which leads to a semi-conducting behavior. Whatever the initial material, a thermal treatment induces an increase of the Co{sup 4+}/Co{sup 3+} ratio in the octahedral network, resulting in a significant increase of the electronic conductivity. - Graphical abstract: In 'Co{sub 3}O{sub 4}' type spinel phases synthesized by eleectrooxidation, the nature of the alkaline electrolyte allows to monitor the amounts of hydrogen and lithium, inserted in spinel framework and therefore the electronic conductivity. Whatever the initial synthesis electrolyte, a moderate thermal treatment of the materials induces a significant increase of the electronic conductivity, due to a structural reorganization (illustrated by the evolution of the cell parameter) and an increase of the Co{sup 4+}/Co{sup 3+} ratio in the octahedral framework.

  17. The effect of driven electron-phonon coupling on the electronic conductance of a polar nanowire

    SciTech Connect

    Mardaani, Mohammad Rabani, Hassan; Esmaili, Esmat; Shariati, Ashrafalsadat

    2015-08-07

    A semi-classical model is proposed to explore the effect of electron-phonon coupling on the coherent electronic transport of a polar chain which is confined between two rigid leads in the presence of an external electric field. To this end, we construct the model by means of Green's function technique within the nearest neighbor tight-binding and harmonic approximations. For a time-periodic electric field, the atomic displacements from the equilibrium positions are obtained precisely. The result is then used to compute the electronic transport properties of the chain within the Peierls-type model. The numerical results indicate that the conductance of the system shows interesting behavior in some special frequencies. For each special frequency, there is an electronic quasi-state in which the scattering of electrons by vibrating atoms reaches maximum. The system electronic conductance decreases dramatically at the strong electron-phonon couplings and low electron energies. In the presence of damping forces, the electron-phonon interaction has a less significant effect on the conductance.

  18. Electronic conductivity studies on oxyhalide glasses containing TMO

    NASA Astrophysics Data System (ADS)

    Vijayatha, D.; Viswanatha, R.; Sujatha, B.; Narayana Reddy, C.

    2016-05-01

    Microwave-assisted synthesis is cleaner, more economical and much faster than conventional methods. The development of new routes for the synthesis of solid materials is an integral part of material science and technology. The electronic conductivity studies on xPbCl2 - 60 PbO - (40-x) V2O5 (1 ≥ x ≤ 10) glass system has been carried out over a wide range of composition and temperature (300 K to 423 K). X-ray diffraction study confirms the amorphous nature of the samples. The Scanning electron microscopic studies reveal the formation of cluster like morphology in PbCl2 containing glasses. The d.c conductivity exhibits Arrhenius behaviour and increases with V2O5 concentration. Analysis of the results is interpreted in view Austin-Mott's small polaron model of electron transport. Activation energies calculated using regression analysis exhibit composition dependent trend and the variation is explained in view of the structure of lead-vanadate glass.

  19. Vibrational renormalisation of the electronic band gap in hexagonal and cubic ice

    NASA Astrophysics Data System (ADS)

    Engel, Edgar A.; Monserrat, Bartomeu; Needs, Richard J.

    2015-12-01

    Electron-phonon coupling in hexagonal and cubic water ice is studied using first-principles quantum mechanical methods. We consider 29 distinct hexagonal and cubic ice proton-orderings with up to 192 molecules in the simulation cell to account for proton-disorder. We find quantum zero-point vibrational corrections to the minimum electronic band gaps ranging from -1.5 to -1.7 eV, which leads to improved agreement between calculated and experimental band gaps. Anharmonic nuclear vibrations play a negligible role in determining the gaps. Deuterated ice has a smaller band-gap correction at zero-temperature of -1.2 to -1.4 eV. Vibrations reduce the differences between the electronic band gaps of different proton-orderings from around 0.17 eV to less than 0.05 eV, so that the electronic band gaps of hexagonal and cubic ice are almost independent of the proton-ordering when quantum nuclear vibrations are taken into account. The comparatively small reduction in the band gap over the temperature range 0 - 240 K of around 0.1 eV does not depend on the proton ordering, or whether the ice is protiated or deuterated, or hexagonal, or cubic. We explain this in terms of the atomistic origin of the strong electron-phonon coupling in ice.

  20. Vibrational renormalisation of the electronic band gap in hexagonal and cubic ice

    SciTech Connect

    Engel, Edgar A. Needs, Richard J.; Monserrat, Bartomeu

    2015-12-28

    Electron-phonon coupling in hexagonal and cubic water ice is studied using first-principles quantum mechanical methods. We consider 29 distinct hexagonal and cubic ice proton-orderings with up to 192 molecules in the simulation cell to account for proton-disorder. We find quantum zero-point vibrational corrections to the minimum electronic band gaps ranging from −1.5 to −1.7 eV, which leads to improved agreement between calculated and experimental band gaps. Anharmonic nuclear vibrations play a negligible role in determining the gaps. Deuterated ice has a smaller band-gap correction at zero-temperature of −1.2 to −1.4 eV. Vibrations reduce the differences between the electronic band gaps of different proton-orderings from around 0.17 eV to less than 0.05 eV, so that the electronic band gaps of hexagonal and cubic ice are almost independent of the proton-ordering when quantum nuclear vibrations are taken into account. The comparatively small reduction in the band gap over the temperature range 0 − 240 K of around 0.1 eV does not depend on the proton ordering, or whether the ice is protiated or deuterated, or hexagonal, or cubic. We explain this in terms of the atomistic origin of the strong electron-phonon coupling in ice.

  1. Mixed oxygen ion/electron-conducting ceramics for oxygen separation

    SciTech Connect

    Stevenson, J.W.; Armstrong, T.R.; Armstrong, B.L.

    1996-08-01

    Mixed oxygen ion and electron-conducting ceramics are unique materials that can passively separate high purity oxygen from air. Oxygen ions move through a fully dense ceramic in response to an oxygen concentration gradient, charge-compensated by an electron flux in the opposite direction. Compositions in the system La{sub 1{minus}x}M{sub x}Co{sub 1{minus}y{minus}z}Fe{sub y}N{sub z}O{sub 3{minus}{delta}}, perovskites where M=Sr, Ca, and Ba, and N=Mn, Ni, Cu, Ti, and Al, have been prepared and their electrical, oxygen permeation, oxygen vacancy equilibria, and catalytic properties evaluated. Tubular forms, disks, and asymmetric membrane structures, a thin dense layer on a porous support of the same composition, have been fabricated for testing purposes. In an oxygen partial gradient, the passive oxygen flux through fully dense structures was highly dependent on composition. An increase in oxygen permeation with increased temperature is attributed to both enhanced oxygen vacancy mobility and higher vacancy populations. Highly acceptor-doped compositions resulted in oxygen ion mobilities more than an order of magnitude higher than yttria-stabilized zirconia. The mixed conducting ceramics have been utilized in a membrane reactor configuration to upgrade methane to ethane and ethylene. Conditions were established to balance selectivity and throughput in a catalytic membrane reactor constructed from mixed conducting ceramics.

  2. Polarization Effects of GaN and AlGaN: Polarization Bound Charge, Band Bending, and Electronic Surface States

    NASA Astrophysics Data System (ADS)

    Eller, Brianna S.; Yang, Jialing; Nemanich, Robert J.

    2014-12-01

    GaN-based devices are currently limited by reliability issues such as gate leakage and current collapse, where the mechanisms responsible for degradation are closely related to the electronic surface state configuration. Therefore, understanding the electronic surface state configuration of GaN-based materials will help improve device performance. Since GaN has an inherent polarization, these materials are also subject to a bound polarization charge, which influences the electronic state configuration. In this study, the surface band bending of N-face GaN, Ga-face GaN, and Ga-face AlGaN was measured with x-ray photoemission spectroscopy after various cleaning steps to investigate the effects of the polarization. Despite the different surface bound charge on these materials, similar band bending was observed regardless of the magnitude or direction of the charge. Specifically, the band bending varied from -0.1 eV to 0.9 eV on these samples, which supported the models of a Fermi level pinning state at ˜0.4 eV to 0.8 eV below the conduction band. Based on available literature, we suggest this pinning state is indirectly evident of a nitrogen vacancy or gallium-dangling bond.

  3. Molecular Electronic Angular Motion Transducer Broad Band Self-Noise

    PubMed Central

    Zaitsev, Dmitry; Agafonov, Vadim; Egorov, Egor; Antonov, Alexander; Shabalina, Anna

    2015-01-01

    Modern molecular electronic transfer (MET) angular motion sensors combine high technical characteristics with low cost. Self-noise is one of the key characteristics which determine applications for MET sensors. However, until the present there has not been a model describing the sensor noise in the complete operating frequency range. The present work reports the results of an experimental study of the self-noise level of such sensors in the frequency range of 0.01–200 Hz. Based on the experimental data, a theoretical model is developed. According to the model, self-noise is conditioned by thermal hydrodynamic fluctuations of the operating fluid flow in the frequency range of 0.01–2 Hz. At the frequency range of 2–100 Hz, the noise power spectral density has a specific inversely proportional dependence of the power spectral density on the frequency that could be attributed to convective processes. In the high frequency range of 100–200 Hz, the noise is conditioned by the voltage noise of the electronics module input stage operational amplifiers and is heavily reliant to the sensor electrical impedance. The presented results allow a deeper understanding of the molecular electronic sensor noise nature to suggest the ways to reduce it. PMID:26610502

  4. Excess electron kinetics by dispersive conductivity: A proposition

    NASA Astrophysics Data System (ADS)

    Schiller, Robert; Nagy, Gabor

    2007-08-01

    A proposition for the simultaneous experimental determination of mobility and scavenger rate coefficient of localized excess electrons is exposed. Based on an earlier theory [Schiller, R., Balog, J., Nagy, G., 2005. Continuous-time random-walk theory of interfering diffusion and chemical reaction with an application to electrochemical impedance spectra of oxidized Zr-1%Nb. J. Chem. Phys. 123, 094704-1-7], it is expected that the steady state conductivity of an insulating liquid, irradiated or illuminated in the presence of some scavenger, depends on frequency. By analyzing the frequency dependence one can obtain the values of the above material properties.

  5. New secondary batteries utilizing electronically conductive polymer cathodes

    NASA Technical Reports Server (NTRS)

    Martin, Charles R.; White, Ralph E.

    1989-01-01

    The objectives of this project are to optimize the transport rates in electronically conductive polypyrrole films by controlling the morphology of the film and to assess the utility of these films as cathodes in a lithium/polypyrrole secondary battery. During this research period, progress has been made in improving the charge transport rate of the supermolecular-engineered polypyrrole electrode by eliminating the polypyrrole baselayer that hampered earlier work. Also, the fibril density of the polypyrrole electrode was increased, providing more electroactive sites per unit area.

  6. New secondary batteries utilizing electronically conductive polymer cathodes

    NASA Technical Reports Server (NTRS)

    Martin, Charles R.; White, Ralph E.

    1989-01-01

    The objectives of this project are to characterize the transport properties in electronically conductive polymers and to assess the utility of these films as cathodes in lithium/polymer secondary batteries. During this research period, progress has been made in a literature survey of the historical background, methods of preparation, the physical and chemical properties, and potential technological applications of polythiophene. Progress has also been made in the characterization of polypyrrole flat films and fibrillar films. Cyclic voltammetry and potential step chronocoulometry were used to gain information on peak currents and potentials switching reaction rates, charge capacity, and charge retention. Battery charge/discharge studies were also performed.

  7. Interaction of Cr(3+) with valence and conduction bands in the long persistent phosphor ZnGa2O4:Cr(3+), studied by ENDOR spectroscopy.

    PubMed

    Binet, Laurent; Sharma, Suchinder K; Gourier, Didier

    2016-09-28

    Cr(3+)-doped zinc gallate ZnGa2O4 is a red-near infrared (IR) long persistent phosphor that can be excited by orange-red light, in the transparency window of living tissues. With this property, persistent luminescence nanoparticles were recently used for in vivo optical imaging of tumors in mice. In order to understand the origin of the excitability of persistent luminescence by visible light in this material, a Q-band ENDOR investigation of (71/69)Ga and (53)Cr nuclei was performed in ZnGa2O4:Cr(3+) to get information on the interaction of Cr(3+) with valence and conduction bands. The positive electron spin density at Ga nuclei revealed a dominant interaction of the (4)A2 ground state of Cr(3+) with the valence band, and a weaker interaction with the conduction band. The latter may occur only in the excited (2)E and (4)T2 states of Cr(3+). It is proposed that when these two interactions are present, pairs of electrons and holes can be generated from excited Cr(3+) in distorted sites undergoing local electric field produced by neighboring defects with opposite charges. PMID:27460505

  8. Interaction of Cr3+ with valence and conduction bands in the long persistent phosphor ZnGa2O4:Cr3+, studied by ENDOR spectroscopy

    NASA Astrophysics Data System (ADS)

    Binet, Laurent; Sharma, Suchinder K.; Gourier, Didier

    2016-09-01

    Cr3+-doped zinc gallate ZnGa2O4 is a red-near infrared (IR) long persistent phosphor that can be excited by orange-red light, in the transparency window of living tissues. With this property, persistent luminescence nanoparticles were recently used for in vivo optical imaging of tumors in mice. In order to understand the origin of the excitability of persistent luminescence by visible light in this material, a Q-band ENDOR investigation of 71/69Ga and 53Cr nuclei was performed in ZnGa2O4:Cr3+ to get information on the interaction of Cr3+ with valence and conduction bands. The positive electron spin density at Ga nuclei revealed a dominant interaction of the 4A2 ground state of Cr3+ with the valence band, and a weaker interaction with the conduction band. The latter may occur only in the excited 2E and 4T2 states of Cr3+. It is proposed that when these two interactions are present, pairs of electrons and holes can be generated from excited Cr3+ in distorted sites undergoing local electric field produced by neighboring defects with opposite charges.

  9. Interaction of Cr(3+) with valence and conduction bands in the long persistent phosphor ZnGa2O4:Cr(3+), studied by ENDOR spectroscopy.

    PubMed

    Binet, Laurent; Sharma, Suchinder K; Gourier, Didier

    2016-09-28

    Cr(3+)-doped zinc gallate ZnGa2O4 is a red-near infrared (IR) long persistent phosphor that can be excited by orange-red light, in the transparency window of living tissues. With this property, persistent luminescence nanoparticles were recently used for in vivo optical imaging of tumors in mice. In order to understand the origin of the excitability of persistent luminescence by visible light in this material, a Q-band ENDOR investigation of (71/69)Ga and (53)Cr nuclei was performed in ZnGa2O4:Cr(3+) to get information on the interaction of Cr(3+) with valence and conduction bands. The positive electron spin density at Ga nuclei revealed a dominant interaction of the (4)A2 ground state of Cr(3+) with the valence band, and a weaker interaction with the conduction band. The latter may occur only in the excited (2)E and (4)T2 states of Cr(3+). It is proposed that when these two interactions are present, pairs of electrons and holes can be generated from excited Cr(3+) in distorted sites undergoing local electric field produced by neighboring defects with opposite charges.

  10. Topological band order, structural, electronic and optical properties of XPdBi (X = Lu, Sc) compounds

    NASA Astrophysics Data System (ADS)

    Narimani, M.; Nourbakhsh, Z.

    2016-05-01

    In this paper, the structural, electronic and optical properties of LuPdBi and ScPdBi compounds are investigated using the density functional theory by WIEN2K package within the generalized gradient approximation, local density approximation, Engel-Vosco generalized gradient approximations and modified Becke-Johnson potential approaches. The topological phases and band orders of these compounds are studied. The effect of pressure on band inversion strength, electron density of states and the linear coefficient of the electronic specific heat of these compounds is investigated. Furthermore, the effect of pressure on real and imaginary parts of dielectric function, absorption and reflectivity coefficients of these compounds is studied.

  11. Exploring the Electronic Band Structure of Organometal Halide Perovskite via Photoluminescence Anisotropy of Individual Nanocrystals.

    PubMed

    Täuber, Daniela; Dobrovolsky, Alexander; Camacho, Rafael; Scheblykin, Ivan G

    2016-08-10

    Understanding electronic processes in organometal halide perovskites, flourishing photovoltaic, and emitting materials requires unraveling the origin of their electronic transitions. Light polarization studies can provide important information regarding transition dipole moment orientations. Investigating individual methylammonium lead triiodide perovskite nanocrystals enabled us to detect the polarization of photoluminescence intensity and photoluminescence excitation, hidden in bulk samples by ensemble averaging. Polarization properties of the crystals were correlated with their photoluminescence spectra and electron microscopy images. We propose that distortion of PbI6 octahedra leads to peculiarities of the electronic band structure close to the band-edge. Namely, the lowest band transition possesses a transition dipole moment along the apical Pb-I-Pb bond resulting in polarized photoluminescence. Excitation of photoluminescence above the bandgap is unpolarized because it involves molecular orbitals delocalized both in the apical and equatorial directions of the perovskite octahedron. Trap-assisted emission at 77 K, rather surprisingly, was polarized similar to the bandgap emission.

  12. Band structure and fermi surface of Electron-Doped C{sub 60} Monolayers

    SciTech Connect

    Yang, W.L.; Brouet, V.; Zhou, X.J.; Choi, Hyoung J.; Louie, Steven G.; Cohen, Marvin L.; Kellar, S.A.; Bogdanov, P.V.; Lanzara, A.; Goldoni, A.; Parmigiani, F.; Hussain, Z.; Shen, Z-X.

    2003-11-06

    C60 fullerides are challenging systems because both the electron-phonon and electron-electron interactions are large on the energy scale of the expected narrow band width. We report angle-resolved photoemission data on the band dispersion for an alkali doped C60 monolayer and a detailed comparison with theory. Compared to the maximum bare theoretical band width of 170 meV, the observed 100-meV dispersion is within the range of renormalization by electron-phonon coupling. This dispersion is only a fraction of the integrated peak width, revealing the importance of many-body effects. Additionally, measurements on the Fermi surface indicate the robustness of the Luttinger theorem even for materials with strong interactions.

  13. Band gaps, ionization potentials, and electron affinities of periodic electron systems via the adiabatic-connection fluctuation-dissipation theorem

    NASA Astrophysics Data System (ADS)

    Trushin, Egor; Betzinger, Markus; Blügel, Stefan; Görling, Andreas

    2016-08-01

    An approach to calculate fundamental band gaps, ionization energies, and electron affinities of periodic electron systems is explored. Starting from total energies obtained with the help of the adiabatic-connection fluctuation-dissipation (ACFD) theorem, these physical observables are calculated according to their basic definition by differences of the total energies of the N -, (N -1 ) -, and (N +1 ) -electron system. The response functions entering the ACFD theorem are approximated here by the direct random phase approximation (dRPA). For a set of prototypical semiconductors and insulators it is shown that even with this quite drastic approximation the resulting band gaps are very close to experiment and of a similar quality to those from the computationally more involved G W approximation. By going beyond the dRPA in the future the accuracy of the calculated band gaps may be significantly improved further.

  14. Phase coherence of conduction electrons below the Kondo temperature

    NASA Astrophysics Data System (ADS)

    Alzoubi, Gassem M.; Birge, Norman O.

    2007-03-01

    The scattering of conduction electrons by magnetic impurities is known as the Kondo effect. This effect has been the subject of theoretical and experimental investigations for several decades. Until very recently [1, 2], however, there was no theoretical expression for the temperature dependence of the inelastic scattering rate valid for temperatures T not too far below the Kondo temperature, TK. We present experimental measurements of the phase decoherence rate, τφ-1, of conduction electrons in disordered dilute AgFe Kondo wires [3]. We compare the temperature dependence of the magnetic scattering rate, γm, with a recent theory of dephasing by Kondo impurities [2]. A good agreement with theory is obtained for T/TK > 0.1. At lower T, γm deviates from theory with a flatter T-dependence. [1] G. Zarand, L. Borda, J. von Delft, and N. Andrei, Phys.Rev. Lett. 93, 107204 (2004). [2] T. Micklitz, A. Altland, T. A. Costi, A. Rosch, Phys.Rev. Lett. 96, 226601 (2006). [3] G.M. Alzoubi and N.O. Birge, Phys.Rev. Lett. in press (2006).

  15. Spin states and electronic conduction in Ni oxides

    NASA Astrophysics Data System (ADS)

    Dionne, Gerald F.

    1990-05-01

    Magnetic and electronic properties of the mixed-valence semiconductor LixNi2+1-2xNi3+xO are reinterpreted in terms of low-spin states for both Ni ions. Anomalous decreases in hopping electron activation energies are discussed on the basis of (i) breakdown in antiferromagnetic ordering through spin canting of the Ni sublattices through exchange isolation caused by diamagnetic Li1+ ions that group with the low-spin Ni3+ (S= (1)/(2) ) to form polarons, and (ii) enhanced disruption of magnetic superexchange that results from a combination of Li1+ dilutants and S=0 states of surrounding Ni2+ ions induced at low temperatures by static Jahn-Teller tetragonal distortions of the oxygen octahedra around the Ni3+ polarons. Reported magnetic ordering and conduction anomalies in La2-xSrxNiO4 are then compared to the behavior of Cu in LixCu1-xO, and in the high-Tc superconducting La2-xSrxCuO4 system. Spontaneous conduction through molecular-orbital states involving zero-spin Ni and Cu ions is discussed, together with the role of S=0 polarons in other oxide superconductors.

  16. Ion-Electron-Conducting Polymer Composites: Promising Electromagnetic Interference Shielding Material.

    PubMed

    Vyas, Manoj Kumar; Chandra, Amita

    2016-07-20

    Polymer nanocomposites consisting of poly(vinylidenefluoride-co-hexafluoropropylene) PVdF-HFP, inorganic salt (LiBF4), organic salt (EMIMBF4), multiwalled carbon nanotubes (MWCNTs), and Fe3O4 nanoparticles were prepared as electromagnetic shield material. Improvement in conductivity and dielectric property due to the introduction of EMIMBF4, LiBF4, and MWCNTs was confirmed by complex impedance spectroscopy. The highest conductivity obtained is ∼1.86 mS/cm. This is attributed to the high ionic conductivity of the ionic liquids and the formation of a connecting network by the MWCNTs facilitating electron conduction. The total electromagnetic interference (EMI) shielding effectiveness has a major contribution to it due to absorption. Although the total shielding effectiveness in the Ku band (12.4-18 GHz) of pure ion-conducting system was found to be ∼19 dB and that for the polymer composites which are mixed (ion + electron) conductors is ∼46 dB, the contributions due to absorption are ∼16 and ∼42 dB, respectively. PMID:27351810

  17. Anisotropic optical conductivity and electron-hole asymmetry in doped monolayer graphene in the presence of the Rashba coupling

    NASA Astrophysics Data System (ADS)

    Sadeghi, S. S.; Phirouznia, A.; Fallahi, V.

    2015-06-01

    In this study, the optical conductivity of substitutionary doped graphene is investigated in the presence of the Rashba spin orbit coupling (RSOC). Calculations have been performed within the coherent potential approximation (CPA) beyond the Dirac cone approximation. Results of the current study demonstrate that the optical conductivity is increased by increasing the RSOC strength. Meanwhile it was observed that the anisotropy of the band energy results in a considerable anisotropic optical conductivity (AOC) in monolayer graphene. The sign and magnitude of this anisotropic conductivity was shown to be controlled by the external field frequency. It was also shown that the Rashba interaction results in electron-hole asymmetry in monolayer graphene.

  18. Meissner Effect of Dirac Electrons in Superconducting State Due to Inter-Band Effect

    NASA Astrophysics Data System (ADS)

    Mizoguchi, Tomonari; Ogata, Masao

    2015-08-01

    Dirac electrons in solids show characteristic physical properties due to their linear dispersion relation and two-band nature. Although the transport phenomena of Dirac electrons in a normal state have intensively been studied, the transport phenomena in a superconducting state have not been fully understood. In particular, it is not clear whether Dirac electrons in a superconducting state show Meissner effect (ME), since a diamagnetic term of a current operator is absent as a result of the linear dispersion. We investigate the ME of three dimensional massive Dirac electrons in a superconducting state on the basis of Kubo formula, and clarify that Meissner kernel becomes finite by use of the inter-band contribution. This mechanism of the ME for Dirac electrons is completely different from that for the electrons in usual metals. Our result shows that the Meissner kernel remains finite even when the superconducting gap vanishes. This is an unavoidable problem in the Dirac electron system as reported in the previous works. Thus, we use a prescription in which we subtract the normal state contribution. In order to justify this prescription, we develop a specific model where the Meissner kernel is obtained by the prescription. We also derive the result for the electron gas by taking the non-relativistic limit of Dirac Hamiltonian, and clarify that the diamagnetic term of the Meissner kernel can be regarded as the inter-band contribution between electrons and positrons in terms of the Dirac model.

  19. Ag-graphene hybrid conductive ink for writing electronics.

    PubMed

    Xu, L Y; Yang, G Y; Jing, H Y; Wei, J; Han, Y D

    2014-02-01

    With the aim of preparing a method for the writing of electronics on paper by the use of common commercial rollerball pens loaded with conductive ink, hybrid conductive ink composed of Ag nanoparticles (15 wt%) and graphene-Ag composite nanosheets (0.15 wt%) formed by depositing Ag nanoparticles (∼10 nm) onto graphene sheets was prepared for the first time. Owing to the electrical pathway effect of graphene and the decreased contact resistance of graphene junctions by depositing Ag nanoparticles (NPs) onto graphene sheets, the concentration of Ag NPs was significantly reduced while maintaining high conductivity at a curing temperature of 100 ° C. A typical resistivity value measured was 1.9 × 10(-7) Ω m, which is 12 times the value for bulk silver. Even over thousands of bending cycles or rolling, the resistance values of writing tracks only increase slightly. The stability and flexibility of the writing circuits are good, demonstrating the promising future of this hybrid ink and direct writing method. PMID:24406681

  20. Ag-graphene hybrid conductive ink for writing electronics

    NASA Astrophysics Data System (ADS)

    Xu, L. Y.; Yang, G. Y.; Jing, H. Y.; Wei, J.; Han, Y. D.

    2014-02-01

    With the aim of preparing a method for the writing of electronics on paper by the use of common commercial rollerball pens loaded with conductive ink, hybrid conductive ink composed of Ag nanoparticles (15 wt%) and graphene-Ag composite nanosheets (0.15 wt%) formed by depositing Ag nanoparticles (˜10 nm) onto graphene sheets was prepared for the first time. Owing to the electrical pathway effect of graphene and the decreased contact resistance of graphene junctions by depositing Ag nanoparticles (NPs) onto graphene sheets, the concentration of Ag NPs was significantly reduced while maintaining high conductivity at a curing temperature of 100 ° C. A typical resistivity value measured was 1.9 × 10-7 Ω m, which is 12 times the value for bulk silver. Even over thousands of bending cycles or rolling, the resistance values of writing tracks only increase slightly. The stability and flexibility of the writing circuits are good, demonstrating the promising future of this hybrid ink and direct writing method.

  1. Hydrogen production by Tuning the Photonic Band Gap with the Electronic Band Gap of TiO2

    PubMed Central

    Waterhouse, G. I. N.; Wahab, A. K.; Al-Oufi, M.; Jovic, V.; Anjum, D. H.; Sun-Waterhouse, D.; Llorca, J.; Idriss, H.

    2013-01-01

    Tuning the photonic band gap (PBG) to the electronic band gap (EBG) of Au/TiO2 catalysts resulted in considerable enhancement of the photocatalytic water splitting to hydrogen under direct sunlight. Au/TiO2 (PBG-357 nm) photocatalyst exhibited superior photocatalytic performance under both UV and sunlight compared to the Au/TiO2 (PBG-585 nm) photocatalyst and both are higher than Au/TiO2 without the 3 dimensionally ordered macro-porous structure materials. The very high photocatalytic activity is attributed to suppression of a fraction of electron-hole recombination route due to the co-incidence of the PBG with the EBG of TiO2 These materials that maintain their activity with very small amount of sacrificial agents (down to 0.5 vol.% of ethanol) are poised to find direct applications because of their high activity, low cost of the process, simplicity and stability. PMID:24108361

  2. Tuning two-dimensional band structure of Cu(111) surface-state electrons that interplay with artificial supramolecular architectures

    NASA Astrophysics Data System (ADS)

    Wang, Shiyong; Wang, Weihua; Tan, Liang Z.; Li, Xing Guang; Shi, Zilang; Kuang, Guowen; Liu, Pei Nian; Louie, Steven G.; Lin, Nian

    2013-12-01

    We report on the modulation of two-dimensional (2D) bands of Cu(111) surface-state electrons by three isostructural supramolecular honeycomb architectures with different periodicity or constituent molecules. Using Fourier-transformed scanning tunneling spectroscopy and model calculations, we resolved the 2D band structures and found that the intrinsic surface-state band is split into discrete bands. The band characteristics including band gap, band bottom, and bandwidth are controlled by the network unit cell size and the nature of the molecule-surface interaction. In particular, Dirac cones emerge where the second and third bands meet at the K points of the Brillouin zone of the supramolecular lattice.

  3. Analysis of mid-infrared optical conductivity in electron-doped cuprates

    NASA Astrophysics Data System (ADS)

    Varshney, Dinesh; Patel, G. S.; Singh, R. K.

    2003-05-01

    Observed frequency dependent optical conductivity sigma(omega) of electron-doped cuprate Nd1.85Ce0.15CuO4-delta (delta approx 0.02, Tc approx 25 K) superconductors has been theoretically analysed. Starting from an effective two-dimensional (2D) interaction potential for superlattice of electron-doped cuprates treated as a layered electron gas, the spectral function is developed. Calculations of sigma(omega) have been made within the two component scheme: one is the coherent Drude carriers responsible for superconductivity and the other is incoherent motion of carriers from one site to the other that leads to a pairing between Drude carriers. The approach accounts for the anomalies observed (frequency dependence of optical conductivity) in the optical measurements for the normal state. Estimating the effective mass from specific heat measurement and varepsiloninfty from band structure calculations for the low-energy charge density waves, the model has only one free parameter, the relaxation rate. The frequency dependent relaxation rates are expressed in terms of memory functions, and the coherent Drude carriers from the effective interaction potential lead to a sharp peak at zero frequency and a long tail at higher frequencies, i.e. in the infrared region, while the hopping of carriers from one site to the other (incoherent motion of doped carriers) yields a peak value in the optical conductivity centred at mid-infrared region. We find that both the Drude and hopping carriers in the superlattice of electron-doped cuprates will contribute to the optical process of conduction in the CuO2 planes and show similar results on optical conductivity in the mid-infrared as well as infrared frequency regions as those revealed from experiments.

  4. Visualizing the influence of point defects on the electronic band structure of graphene.

    PubMed

    Farjam, M

    2014-04-16

    The supercell approach enables us to treat the electronic structure of defective crystals, but the calculated energy bands are too complicated to understand or compare with angle-resolved photoemission spectra because of inevitable zone folding. We discuss how to visualize supercell band structures more effectively by incorporating unfolded spectral weights and orbital decompositions into them. We then apply these ideas to gain a better understanding of the band structure of graphene containing various types of point defects, including nitrogen impurity, hydrogen adsorbate, vacancy defects and the Stone-Wales defect.

  5. The LDA+U calculation of electronic band structure of GaAs

    NASA Astrophysics Data System (ADS)

    Bahuguna, B. P.; Sharma, R. O.; Saini, L. K.

    2016-05-01

    We present the electronic band structure of bulk gallium arsenide (GaAs) using first principle approach. A series of calculations has been performed by applying norm-conserving pseudopotentials and ultrasoft non-norm-conserving pseudopotentials within the density functional theory. These calculations yield too small band gap as compare to experiment. Thus, we use semiemperical approach called local density approximation plus the multi-orbital mean-field Hubbard model (LDA+U), which is quite effective in order to describe the band gap of GaAs.

  6. Engineering the electronic structure and band gap of boron nitride nanoribbon via external electric field

    NASA Astrophysics Data System (ADS)

    Chegel, Raad

    2016-06-01

    By using the third nearest neighbor modified tight binding (3NN-TB) method, the electronic structure and band gap of BNNRs under transverse electric fields are explored. The band gap of the BNNRs has a decreasing with increasing the intensity of the applied electric field, independent on the ribbon edge types. Furthermore, an analytic model for the dependence of the band gap in armchair and zigzag BNNRs on the electric field is proposed. The reduction of E g is similar for some N a armchair and N z zigzag BNNRs independent of their edges.

  7. Spatially resolved band alignments at Au-hexadecanethiol monolayer-GaAs(001) interfaces by ballistic electron emission microscopy

    SciTech Connect

    Junay, A.; Guézo, S. Turban, P.; Delhaye, G.; Lépine, B.; Tricot, S.; Ababou-Girard, S.; Solal, F.

    2015-08-28

    We study structural and electronic inhomogeneities in Metal—Organic Molecular monoLayer (OML)—semiconductor interfaces at the sub-nanometer scale by means of in situ Ballistic Electron Emission Microscopy (BEEM). BEEM imaging of Au/1-hexadecanethiols/GaAs(001) heterostructures reveals the evolution of pinholes density as a function of the thickness of the metallic top-contact. Using BEEM in spectroscopic mode in non-short-circuited areas, local electronic fingerprints (barrier height values and corresponding spectral weights) reveal a low-energy tunneling regime through the insulating organic monolayer. At higher energies, BEEM evidences new conduction channels, associated with hot-electron injection in the empty molecular orbitals of the OML. Corresponding band diagrams at buried interfaces can be thus locally described. The energy position of GaAs conduction band minimum in the heterostructure is observed to evolve as a function of the thickness of the deposited metal, and coherently with size-dependent electrostatic effects under the molecular patches. Such BEEM analysis provides a quantitative diagnosis on metallic top-contact formation on organic molecular monolayer and appears as a relevant characterization for its optimization.

  8. Coexisting Honeycomb and Kagome Characteristics in the Electronic Band Structure of Molecular Graphene.

    PubMed

    Paavilainen, Sami; Ropo, Matti; Nieminen, Jouko; Akola, Jaakko; Räsänen, Esa

    2016-06-01

    We uncover the electronic structure of molecular graphene produced by adsorbed CO molecules on a copper (111) surface by means of first-principles calculations. Our results show that the band structure is fundamentally different from that of conventional graphene, and the unique features of the electronic states arise from coexisting honeycomb and Kagome symmetries. Furthermore, the Dirac cone does not appear at the K-point but at the Γ-point in the reciprocal space and is accompanied by a third, almost flat band. Calculations of the surface structure with Kekulé distortion show a gap opening at the Dirac point in agreement with experiments. Simple tight-binding models are used to support the first-principles results and to explain the physical characteristics behind the electronic band structures.

  9. Variable-energy microtron-injector for a compact wide-band FIR free electron laser

    NASA Astrophysics Data System (ADS)

    Kazakevitch, Grigori M.; Jeong, Young Uk; Lee, Byung Cheol; Gavrilov, Nikolay G.; Kondaurov, Mikhail N.

    2003-07-01

    A microtron-injector (Proceedings of the 2001 Particle Accelerator Conference, USA, 2001, 2739) for the KAERI compact far infrared free electron laser (FIR FEL) facility has been upgraded to provide tuning of the FEL wavelength from 100 μm to more than 300 μm. The wide-band tunability of the radiation has been achieved by changing the kinetic energy of the accelerated electrons from 6.5 to 4.9 MeV. To do so, the position of an RF cavity inside the microtron is movable within the range of ˜170 mm, and it changes the maximum orbit number of the electrons from 12 to 8. Dependence of the electron beam parameters on the orbit number has been investigated to choose acceptable operating conditions of the microtron for stable operation of the wide-band FIR FEL. Measured parameters of the electron beam and corresponding lasing results of the FIR FEL are presented and discussed.

  10. Topological Metal of NaBi with Ultralow Lattice Thermal Conductivity and Electron-phonon Superconductivity

    PubMed Central

    Li, Ronghan; Cheng, Xiyue; Xie, Qing; Sun, Yan; Li, Dianzhong; Li, Yiyi; Chen, Xing-Qiu

    2015-01-01

    By means of first-principles and ab initio tight-binding calculations, we found that the compound of NaBi is a three-dimensional non-trivial topological metal. Its topological feature can be confirmed by the presence of band inversion, the derived effective Z2 invariant and the non-trivial surface states with the presence of Dirac cones. Interestingly, our calculations further demonstrated that NaBi exhibits the uniquely combined properties between the electron-phonon coupling superconductivity in nice agreement with recent experimental measurements and the obviously anisotropic but extremely low thermal conductivity. The spin-orbit coupling effects greatly affect those properties. NaBi may provide a rich platform to study the relationship among metal, topology, superconductivity and thermal conductivity. PMID:25676863

  11. Observation of 'Band' Structures in Spacecraft Observations of Inner Magnetosphere Plasma Electrons

    NASA Astrophysics Data System (ADS)

    Mohan Narasimhan, Kirthika; Fazakerley, Andrew; Milhaljcic, Branislav; Grimald, Sandrine; Dandouras, Iannis; Owen, Chris

    2013-04-01

    In previous studies, several authors have reported inner magnetosphere observations of proton distributions confined to narrow energy bands in the range of 1-25 keV. These structures have been known as "nose structures", with reference to their appearance in energy-time spectrograms and are known as "bands" if they are observed for extended periods of time. These proton structures have been studied quite extensively with multiple mechanisms proposed for their formation, not all of which apply for electrons. We examine Double-Star TC1 PEACE electron data recorded in the inner magnetosphere (L<15) near the equatorial plane to see if these features are also observed in the electron energy spectra. These "bands" also appear in electron spectrograms, spanning an energy range of 0.2-30 keV, and are shown to occur predominantly towards the dayside and dusk sectors. We also see multiple bands in some instances. We investigate the properties of these multi-banded structures and carry out a statistical survey analysing them as a function of geomagnetic activity, looking at both the Kp and Auroral Indices, in an attempt to explain their presence.

  12. Comparison of the electronic band structures of LiCaAlF6 and LiSrAlF6 ultraviolet laser host media from ab initio calculations

    NASA Astrophysics Data System (ADS)

    Viet Luong, Mui; Cadatal-Raduban, Marilou; Empizo, Melvin John F.; Arita, Ren; Minami, Yuki; Shimizu, Toshihiko; Sarukura, Nobuhiko; Azechi, Hiroshi; Pham, Minh Hong; Nguyen, Hung Dai; Kawazoe, Yoshiyuki

    2015-12-01

    We report the electronic structures and density of states (DOS) of perfect LiCAF and LiSAF crystals calculated from density functional theory (DFT) with local density approximation (LDA) using optimized lattice constants. DOS calculations reveal that the valence band is mainly derived from F 2p, thereby resulting to a very narrow valence band manifold. Meanwhile, the conduction band is mainly derived from Ca 4s or Sr 5s resulting to Sr having a broader band dispersion compared to Ca. Both fluoride compounds have indirect band gaps with LiCAF having a band gap of 8.02 eV and LiSAF a band gap of 7.92 eV. This is, to the best of our knowledge, the first report on the electronic structure of LiSAF calculated using DFT with LDA. Our results suggest that when doped with Ce3+, the shorter 5d-conduction band distance in Ce:LiSAF combined with the difficulty of growing high-purity crystals lead to the more pronounced excited state absorption (ESA) and solarization effect experimentally observed in Ce:LiSAF, limiting its potential as a laser material compared with Ce:LiCAF.

  13. Thermal Conductivity of the Iron-Based Superconductor FeSe: Nodeless Gap with a Strong Two-Band Character

    NASA Astrophysics Data System (ADS)

    Bourgeois-Hope, P.; Chi, S.; Bonn, D. A.; Liang, R.; Hardy, W. N.; Wolf, T.; Meingast, C.; Doiron-Leyraud, N.; Taillefer, Louis

    2016-08-01

    The thermal conductivity κ of the iron-based superconductor FeSe was measured at temperatures down to 75 mK in magnetic fields up to 17 T. In a zero magnetic field, the electronic residual linear term in the T =0 K limit, κ0/T , is vanishingly small. The application of a magnetic field B causes an exponential increase in κ0/T initially. Those two observations show that there are no zero-energy quasiparticles that carry heat and therefore no nodes in the superconducting gap of FeSe. The full field dependence of κ0/T has the classic two-step shape of a two-band superconductor: a first rise at very low field, with a characteristic field B⋆≪Bc 2, and then a second rise up to the upper critical field Bc 2. This shows that the superconducting gap is very small (but finite) on one of the pockets in the Fermi surface of FeSe. We estimate that the minimum value of the gap, Δmin, is an order of magnitude smaller than the maximum value, Δmax.

  14. Thermal Conductivity of the Iron-Based Superconductor FeSe: Nodeless Gap with a Strong Two-Band Character.

    PubMed

    Bourgeois-Hope, P; Chi, S; Bonn, D A; Liang, R; Hardy, W N; Wolf, T; Meingast, C; Doiron-Leyraud, N; Taillefer, Louis

    2016-08-26

    The thermal conductivity κ of the iron-based superconductor FeSe was measured at temperatures down to 75 mK in magnetic fields up to 17 T. In a zero magnetic field, the electronic residual linear term in the T=0  K limit, κ_{0}/T, is vanishingly small. The application of a magnetic field B causes an exponential increase in κ_{0}/T initially. Those two observations show that there are no zero-energy quasiparticles that carry heat and therefore no nodes in the superconducting gap of FeSe. The full field dependence of κ_{0}/T has the classic two-step shape of a two-band superconductor: a first rise at very low field, with a characteristic field B^{⋆}≪B_{c2}, and then a second rise up to the upper critical field B_{c2}. This shows that the superconducting gap is very small (but finite) on one of the pockets in the Fermi surface of FeSe. We estimate that the minimum value of the gap, Δ_{min}, is an order of magnitude smaller than the maximum value, Δ_{max}. PMID:27610878

  15. Thermal Conductivity of the Iron-Based Superconductor FeSe: Nodeless Gap with a Strong Two-Band Character.

    PubMed

    Bourgeois-Hope, P; Chi, S; Bonn, D A; Liang, R; Hardy, W N; Wolf, T; Meingast, C; Doiron-Leyraud, N; Taillefer, Louis

    2016-08-26

    The thermal conductivity κ of the iron-based superconductor FeSe was measured at temperatures down to 75 mK in magnetic fields up to 17 T. In a zero magnetic field, the electronic residual linear term in the T=0  K limit, κ_{0}/T, is vanishingly small. The application of a magnetic field B causes an exponential increase in κ_{0}/T initially. Those two observations show that there are no zero-energy quasiparticles that carry heat and therefore no nodes in the superconducting gap of FeSe. The full field dependence of κ_{0}/T has the classic two-step shape of a two-band superconductor: a first rise at very low field, with a characteristic field B^{⋆}≪B_{c2}, and then a second rise up to the upper critical field B_{c2}. This shows that the superconducting gap is very small (but finite) on one of the pockets in the Fermi surface of FeSe. We estimate that the minimum value of the gap, Δ_{min}, is an order of magnitude smaller than the maximum value, Δ_{max}.

  16. A multi-band, multi-level, multi-electron model for efficient FDTD simulations of electromagnetic interactions with semiconductor quantum wells

    NASA Astrophysics Data System (ADS)

    Ravi, Koustuban; Wang, Qian; Ho, Seng-Tiong

    2015-08-01

    We report a new computational model for simulations of electromagnetic interactions with semiconductor quantum well(s) (SQW) in complex electromagnetic geometries using the finite-difference time-domain method. The presented model is based on an approach of spanning a large number of electron transverse momentum states in each SQW sub-band (multi-band) with a small number of discrete multi-electron states (multi-level, multi-electron). This enables accurate and efficient two-dimensional (2-D) and three-dimensional (3-D) simulations of nanophotonic devices with SQW active media. The model includes the following features: (1) Optically induced interband transitions between various SQW conduction and heavy-hole or light-hole sub-bands are considered. (2) Novel intra sub-band and inter sub-band transition terms are derived to thermalize the electron and hole occupational distributions to the correct Fermi-Dirac distributions. (3) The terms in (2) result in an explicit update scheme which circumvents numerically cumbersome iterative procedures. This significantly augments computational efficiency. (4) Explicit update terms to account for carrier leakage to unconfined states are derived, which thermalize the bulk and SQW populations to a common quasi-equilibrium Fermi-Dirac distribution. (5) Auger recombination and intervalence band absorption are included. The model is validated by comparisons to analytic band-filling calculations, simulations of SQW optical gain spectra, and photonic crystal lasers.

  17. Electron pairing in the presence of incipient bands in iron-based superconductors

    NASA Astrophysics Data System (ADS)

    Chen, Xiao; Maiti, S.; Linscheid, A.; Hirschfeld, P. J.

    2015-12-01

    Recent experiments on certain Fe-based superconductors have hinted at a role for paired electrons in "incipient" bands that are close to, but do not cross, the Fermi level. Related theoretical works disagree on whether or not strong-coupling superconductivity is required to explain such effects, and whether a critical interaction strength exists. In this work, we consider various versions of the model problem of pairing of electrons in the presence of an incipient band, within a simple multiband weak-coupling BCS approximation. We categorize the problem into two cases: case (i), where superconductivity arises from the "incipient band pairing" alone, and case (ii), where it is induced on an incipient band by pairing due to Fermi-surface-based interactions. Negative conclusions regarding the importance of incipient bands have been drawn so far largely based on case (i), but we show explicitly that models under case (ii) are qualitatively different, and can explain the nonexponential suppression of Tc, as well as robust large gaps on an incipient band. In the latter situation, large gaps on the incipient band do not require a critical interaction strength. We also model the interplay between phonon and spin fluctuation driven superconductivity and describe situations in which they can enhance each other rather than compete. Finally, we discuss the effect of the dimensionality of the incipient band on our results. We argue that pairing on incipient bands may be significant and important in several Fe-based materials, including LiFeAs, FeSe intercalates, and FeSe monolayers on strontium titanate, and indeed may contribute to high critical temperatures in some cases.

  18. Band offsets of n-type electron-selective contacts on cuprous oxide (Cu{sub 2}O) for photovoltaics

    SciTech Connect

    Brandt, Riley E. E-mail: buonassisi@mit.edu; Lee, Yun Seog; Buonassisi, Tonio E-mail: buonassisi@mit.edu; Young, Matthew; Dameron, Arrelaine; Teeter, Glenn; Park, Helen Hejin; Chua, Danny; Gordon, Roy G.

    2014-12-29

    The development of cuprous oxide (Cu{sub 2}O) photovoltaics (PVs) is limited by low device open-circuit voltages. A strong contributing factor to this underperformance is the conduction-band offset between Cu{sub 2}O and its n-type heterojunction partner or electron-selective contact. In the present work, a broad range of possible n-type materials is surveyed, including ZnO, ZnS, Zn(O,S), (Mg,Zn)O, TiO{sub 2}, CdS, and Ga{sub 2}O{sub 3}. Band offsets are determined through X-ray photoelectron spectroscopy and optical bandgap measurements. A majority of these materials is identified as having a negative conduction-band offset with respect to Cu{sub 2}O; the detrimental impact of this on open-circuit voltage (V{sub OC}) is evaluated through 1-D device simulation. These results suggest that doping density of the n-type material is important as well, and that a poorly optimized heterojunction can easily mask changes in bulk minority carrier lifetime. Promising heterojunction candidates identified here include Zn(O,S) with [S]/[Zn] ratios >70%, and Ga{sub 2}O{sub 3}, which both demonstrate slightly positive conduction-band offsets and high V{sub OC} potential. This experimental protocol and modeling may be generalized to evaluate the efficiency potential of candidate heterojunction partners for other PV absorbers, and the materials identified herein may be promising for other absorbers with low electron affinities.

  19. Electronic band structure effects in the stopping of protons in copper

    NASA Astrophysics Data System (ADS)

    Quashie, Edwin E.; Saha, Bidhan C.; Correa, Alfredo A.

    2016-10-01

    We present an ab initio study of the electronic stopping power of protons in copper over a wide range of proton velocities v =0.02 -10 a .u . where we take into account nonlinear effects. Time-dependent density functional theory coupled with molecular dynamics is used to study electronic excitations produced by energetic protons. A plane-wave pseudopotential scheme is employed to solve the time-dependent Kohn-Sham equations for a moving ion in a periodic crystal. The electronic excitations and the band structure determine the stopping power of the material and alter the interatomic forces for both channeling and off-channeling trajectories. Our off-channeling results are in quantitative agreement with experiments, and at low velocity they unveil a crossover region of superlinear velocity dependence (with a power of ˜1.5 ) in the velocity range v =0.07 -0.3 a .u . , which we associate to the copper crystalline electronic band structure. The results are rationalized by simple band models connecting two separate regimes. We find that the limit of electronic stopping v →0 is not as simple as phenomenological models suggest and it is plagued by band-structure effects.

  20. A microscopic two-band model for the electron-hole asymmetry in high-Tc superconductors and reentering behavior

    NASA Astrophysics Data System (ADS)

    Bru, J.-B.; Pedra, W. de Siqueira; Dömel, A.-S.

    2011-07-01

    To our knowledge there is no rigorously analyzed microscopic model explaining the electron-hole asymmetry of the critical temperature seen in high-Tc cuprate superconductors - at least no model not breaking artificially this symmetry. We present here a microscopic two-band model based on the structure of energetic levels of holes in CuO2 conducting layers of cuprates. In particular, our Hamiltonian does not contain ad hoc terms implying - explicitly - different masses for electrons and holes. We prove that two energetically near-lying interacting bands can explain the electron-hole asymmetry. Indeed, we rigorously analyze the phase diagram of the model and show that the critical temperatures for fermion densities below half-filling can manifest a very different behavior as compared to the case of densities above half-filling. This fact results from the inter-band interaction and intra-band Coulomb repulsion in interplay with thermal fluctuations between two energetic levels. So, if the energy difference between bands is too big (as compared to the energy scale defined by the critical temperatures of superconductivity) then the asymmetry disappears. Moreover, the critical temperature turns out to be a non-monotonic function of the fermion density and the phase diagram of our model shows "superconducting domes" as in high-Tc cuprate superconductors. This explains why the maximal critical temperature is attained at donor densities away from the maximal one. Outside the superconducting phase and for fermion densities near half-filling the thermodynamics governed by our Hamiltonian corresponds, as in real high-Tc materials, to a Mott-insulating phase. The nature of the inter-band interaction can be electrostatic (screened Coulomb interaction), magnetic (for instance, some Heisenberg-type one-site spin-spin interaction), or a mixture of both. If the inter-band interaction is predominately magnetic then - additionally to the electron-hole asymmetry - we observe a

  1. Vanishing Electronic Energy Loss of Very Slow Light Ions in Insulators with Large Band Gaps

    SciTech Connect

    Markin, S. N.; Primetzhofer, D.; Bauer, P.

    2009-09-11

    Electronic energy loss of light ions in nanometer films of materials with large band gaps has been studied for very low velocities. For LiF, a threshold velocity is observed at 0.1 a.u. (250 eV/u), below which the ions move without transferring energy to the electronic system. For KCl, a lower (extrapolated) threshold velocity is found, identical for H and He ions. For SiO{sub 2}, no clear velocity threshold is observed for He particles. For protons and deuterons, electronic stopping is found to perfectly fulfill velocity scaling, as expected for binary ion-electron interaction.

  2. Minority-spin band parameters in a NiMnSb thin film determined by spectral conductivity

    SciTech Connect

    Grigorescu, C.E.A.; Trodahl, H.J.; Strickland, N.M.; Bittar, A.; Manea, S.A.; Giapintzakis, J.; Monnereau, O.; Notonier, R.; Kennedy, V.J.

    2004-12-01

    NiMnSb is expected to be a ferromagnetic half metal, an expectation that is based in part on band structure calculations. Here we report optical conductivity studies of the band structure for a film prepared by pulsed laser deposition onto a Si substrate held at a relatively low temperature as is required for some device applications--films which are susceptible to site disorder associated with the vacant site in this half-Heusler compound. We demonstrate that the direct interband transitions are essentially unshifted in comparison with bulk material, though they are somewhat broadened. Below the direct-transition absorption edge we report the presence of indirect spin-reversing transitions between the Fermi energy (E{sub f}) and the extrema of the minority-spin valence and conduction bands, providing a measure of the band edge energies. Both of these edges appear closer to E{sub f} than is seen in well-ordered bulk NiMnSb, with the conduction-band minimum showing weight at only 200 cm{sup -1} above E{sub f}, close enough to have substantial occupation at ambient temperature.

  3. Band gap bowing and electron localization of (GaxIn1-x)N

    SciTech Connect

    Lee, Byounghak; Wang, Lin-Wang

    2006-05-09

    The band gap bowing and the electron localization ofGaxIn1-xN are calculated using both the local density approximation (LDA)and screened-exchange local density functional (sX-LDA) methods. Thecalculated sX-LDA band gaps are in good agreement with the experimentallyobserved values, with errors of -0.26 and 0.09 eV for bulk GaN and InN,respectively. The LDA band gap errors are 1.33 and 0.81 eV for GaN andInN, in order. In contrast to the gap itself, the band gap bowingparameter is found to be very similar in sX-LDA and LDA. We identify thelocalization of hole states in GaxIn1-xN alloys along In-N-In chains. Thepredicted localizationis stronger in sX-LDA.

  4. Electron microscopy and x-ray diffraction evidence for two Z-band structural states.

    PubMed

    Perz-Edwards, Robert J; Reedy, Michael K

    2011-08-01

    In vertebrate muscles, Z-bands connect adjacent sarcomeres, incorporate several cell signaling proteins, and may act as strain sensors. Previous electron microscopy (EM) showed Z-bands reversibly switch between a relaxed, "small-square" structure, and an active, "basketweave" structure, but the mechanism of this transition is unknown. Here, we found the ratio of small-square to basketweave in relaxed rabbit psoas muscle varied with temperature, osmotic pressure, or ionic strength, independent of activation. By EM, the A-band and both Z-band lattice spacings varied with temperature and pressure, not ionic strength; however, the basketweave spacing was consistently 10% larger than small-square. We next sought evidence for the two Z-band structures in unfixed muscles using x-ray diffraction, which indicated two Z-reflections whose intensity ratios and spacings correspond closely to the EM measurements for small-square and basketweave if the EM spacings are adjusted for 20% shrinkage due to EM processing. We conclude that the two Z-reflections arise from the small-square and basketweave forms of the Z-band as seen by EM. Regarding the mechanism of transition during activation, the effects of Ca(2+) in the presence of force inhibitors suggested that the interconversion of Z-band forms was correlated with tropomyosin movement on actin. PMID:21806939

  5. Electronic band structure trends of perovskite halides: Beyond Pb and Sn to Ge and Si

    NASA Astrophysics Data System (ADS)

    Huang, Ling-yi; Lambrecht, Walter R. L.

    2016-05-01

    The trends in electronic band structure are studied in the cubic A B X3 halide perovskites for A =Cs ; B =Pb , Sn, Ge, Si; and X =I , Br, Cl. The gaps are found to decrease from Pb to Sn and from Ge to Si, but increase from Sn to Ge. The trend is explained in terms of the atom s levels of the group-IV element and the atomic sizes which changes the amount of hybridization with X -p and hence the valence bandwidth. Along the same series spin-orbit coupling also decreases and this tends to increase the gap because of the smaller splitting of the conduction band minimum. Both effects compensate each other to a certain degree. The trend with halogens is to reduce the gap from Cl to I, i.e., with decreasing electronegativity. The role of the tolerance factor in avoiding octahedron rotations and octahedron edge sharing is discussed. The Ge containing compounds have tolerance factor t >1 and hence do not show the series of octahedral rotation distortions and the existence of edge-sharing octahedral phases known for Pb and Sn-based compounds, but rather a rhombohedral distortion. CsGeI3 is found to have a suitable gap for photovoltaics both in its cubic (high-temperature) and rhombohedral (low-temperature) phases. The structural stability of the materials in the different phases is also discussed. We find the rhombohedral phase to have lower total energy and slightly larger gaps but to present a less significant distortion of the band structure than the edge-sharing octahedral phases, such as the yellow phase in CsSnI3. The corresponding silicon based compounds have not yet been synthesized and therefore our estimates are less certain but indicate a small gap for cubic CsSiI3 and CsSiBr3 of about 0.2 ±0.2 eV and 0.8 ±0.6 eV for CsSiCl3. The intrinsic stability of the Si compounds is discussed.

  6. Electron concentrations calculated from the lower hybrid resonance noise band observed by Ogo 3.

    NASA Technical Reports Server (NTRS)

    Burtis, W. J.

    1973-01-01

    A noise band at the lower hybrid resonance (LHR) is often detected by the VLF and ELF receivers on Ogo 3, using the electric antenna. In some cases the noise band is at the geometric mean gyrofrequency as measured by the Goddard Space Flight Center (GSFC) magnetometer, and local LHR in a dense H(+) plasma is indicated; in such cases, electron concentration can be calculated, if it is assumed that heavy ions are negligible. Observations at midlatitudes and altitudes of a few earth radii show local concentrations as low as 1.4 electrons/cu cm. In one case the concentrations obtained from the LHR noise band agree with those measured simultaneously by the GSFC ion mass spectrometer within a factor of 2. In another case the concentration is observed to fall by a factor of 2 in 150 km and then to decrease roughly as R to the minus fourth power, in agreement with whistler measurements outside the plasmapause.

  7. Valence-band electronic structure evolution of graphene oxide upon thermal annealing for optoelectronics

    DOE PAGES

    Yamaguchi, Hisato; Ogawa, Shuichi; Watanabe, Daiki; Hozumi, Hideaki; Gao, Yongqian; Eda, Goki; Mattevi, Cecilia; Fujita, Takeshi; Yoshigoe, Akitaka; Ishizuka, Shinji; et al

    2016-04-08

    We report valence band electronic structure evolution of graphene oxide (GO) upon its thermal reduction. Degree of oxygen functionalization was controlled by annealing temperatures, and an electronic structure evolution was monitored using real-time ultraviolet photoelectron spectroscopy. We observed a drastic increase in density of states around the Fermi level upon thermal annealing at ~600 °C. The result indicates that while there is an apparent band gap for GO prior to a thermal reduction, the gap closes after an annealing around that temperature. This trend of band gap closure was correlated with electrical, chemical, and structural properties to determine a setmore » of GO material properties that is optimal for optoelectronics. The results revealed that annealing at a temperature of ~500 °C leads to the desired properties, demonstrated by a uniform and an order of magnitude enhanced photocurrent map of an individual GO sheet compared to as-synthesized counterpart.« less

  8. Band gap and electronic structure of MgSiN{sub 2}

    SciTech Connect

    Quirk, J. B. Råsander, M.; McGilvery, C. M.; Moram, M. A.; Palgrave, R.

    2014-09-15

    Density functional theory calculations and electron energy loss spectroscopy indicate that the electronic structure of ordered orthorhombic MgSiN{sub 2} is similar to that of wurtzite AlN. A band gap of 5.7 eV was calculated for both MgSiN{sub 2} (indirect) and AlN (direct) using the Heyd-Scuseria-Ernzerhof approximation. Correction with respect to the experimental room-temperature band gap of AlN indicates that the true band gap of MgSiN{sub 2} is 6.2 eV. MgSiN{sub 2} has an additional direct gap of 6.3 eV at the Γ point.

  9. Strongly correlated flat-band systems: The route from Heisenberg spins to Hubbard electrons

    NASA Astrophysics Data System (ADS)

    Derzhko, Oleg; Richter, Johannes; Maksymenko, Mykola

    2015-05-01

    On a large class of lattices (such as the sawtooth chain, the kagome and the pyrochlore lattices), the quantum Heisenberg and the repulsive Hubbard models may host a completely dispersionless (flat) energy band in the single-particle spectrum. The flat-band states can be viewed as completely localized within a finite volume (trap) of the lattice and allow for construction of many-particle states, roughly speaking, by occupying the traps with particles. If the flat-band happens to be the lowest-energy one, the manifold of such many-body states will often determine the ground-state and low-temperature physics of the models at hand even in the presence of strong interactions. The localized nature of these many-body states makes possible the mapping of this subset of eigenstates onto a corresponding classical hard-core system. As a result, the ground-state and low-temperature properties of the strongly correlated flat-band systems can be analyzed in detail using concepts and tools of classical statistical mechanics (e.g., classical lattice-gas approach or percolation approach), in contrast to more challenging quantum many-body techniques usually necessary to examine strongly correlated quantum systems. In this review, we recapitulate the basic features of the flat-band spin systems and briefly summarize earlier studies in the field. The main emphasis is made on recent developments which include results for both spin and electron flat-band models. In particular, for flat-band spin systems, we highlight field-driven phase transitions for frustrated quantum Heisenberg antiferromagnets at low temperatures, chiral flat-band states, as well as the effect of a slight dispersion of a previously strictly flat-band due to nonideal lattice geometry. For electronic systems, we discuss the universal low-temperature behavior of several flat-band Hubbard models, the emergence of ground-state ferromagnetism in the square-lattice Tasaki-Hubbard model and the related Pauli

  10. Transmission zero in a quantum dot with strong electron-electron interaction: Perturbative conductance calculations

    NASA Astrophysics Data System (ADS)

    Kim, Sejoong; Lee, Hyun-Woo

    2006-05-01

    A pioneering experiment [E. Schuster, E. Buks, M. Heiblum, D. Mahalu, V. Umansky, and Hadas Shtrikman, Nature 385, 417 (1997)] reported the measurement of the transmission phase of an electron traversing a quantum dot and found the intriguing feature of a sudden phase drop in the conductance valleys. Based on the Friedel sum rule for a spinless effective one-dimensional system, it has been previously argued [H.-W. Lee, Phys. Rev. Lett. 82, 2358 (1999)] that the sudden phase drop should be accompanied by the vanishing of the transmission amplitude, or transmission zero. Here we address roles of strong electron-electron interactions on the electron transport through a two-level quantum dot where one level couples with the leads much more strongly than the other level does [P. G. Silvestrov and Y. Imry, Phys. Rev. Lett. 85, 2565 (2000)]. We perform a perturbative conductance calculation with an explicit account of large charging energy and verify that the resulting conductance exhibits transmission zero, in agreement with the analysis based on the Friedel sum rule.

  11. Effects of nitridation for SiO2/SiC interface on defect properties near the conduction band edge

    NASA Astrophysics Data System (ADS)

    Takeuchi, Wakana; Yamamoto, Kensaku; Taoka, Noriyuki; Sakashita, Mitsuo; Kanemura, Takashi; Nakatsuka, Osamu; Zaima, Shigeaki

    2016-04-01

    We have investigated the effects of NO annealing on the electrical properties of a SiO2/4H-SiC interface. The electrical properties of the NO-annealed sample are different from those of the wet-annealed sample. NO or wet annealing generates positive or negative charges, respectively, in the insulator. The interface trap density (D it) near the conduction band edge (E c - 0.1 eV, where E c is the conduction band edge) increases with NO annealing. In contrast, the D it of the NO-annealed sample at around E c - 0.2 eV is lower than that of the wet-annealed sample. The interface state near the conduction band edge in the NO-annealed sample is identified to be of the donor type. Thus, it is considered that the higher D it near the conduction band edge and/or Coulomb scattering due to positive charges causes a decrease in the n-channel mobility in the nitrided SiO2/SiC interface by NO annealing.

  12. Tuning the electronic band-gap of fluorinated 3C-silicon carbide nanowires

    NASA Astrophysics Data System (ADS)

    Miranda Durán, Álvaro; Trejo Baños, Alejandro; Pérez, Luis Antonio; Cruz Irisson, Miguel

    The possibility of control and modulation of the electronic properties of silicon carbide nanowires (SiCNWs) by varying the wire diameter is well known. SiCNWs are particularly interesting and technologically important, due to its electrical and mechanical properties, allowing the development of materials with specific electronic features for the design of stable and robust electronic devices. Tuning the band gap by chemical surface passivation constitutes a way for the modification of the electronic band gap of these nanowires. We present, the structural and electronic properties of fluorinated SiCNWs, grown along the [111] crystallographic direction, which are investigated by first principles. We consider nanowires with six diameters, varying from 0.35 nm to 2.13 nm, and eight random covering schemes including fully hydrogen- and fluorine terminated ones. Gibbs free energy of formation and electronic properties were calculated for the different surface functionalization schemes and diameters considered. The results indicate that the stability and band gap of SiCNWs can be tuned by surface passivation with fluorine atoms This work was supported by CONACYT infrastructure project 252749 and UNAM-DGAPA-PAPIIT IN106714. A.M. would like to thank for financial support from CONACyT-Retención. Computing resources from proyect SC15-1-IR-27 of DGTIC-UNAM are acknowledged.

  13. Electron pairing in the presence of incipient bands in iron-based superconductors

    NASA Astrophysics Data System (ADS)

    Linscheid, Andy; Chen, Xiao; Maiti, Saurabh; Hirschfeld, Peter

    Recent experiments on certain Fe-based superconductors (SC) have hinted at a role for paired electrons in ``incipient'' bands that are close to, but do not cross the Fermi level. Within a simple multiband weak-coupling BCS approximation, we categorize the problem into two cases: case(I) where SC arises from the incipient band pairing alone, and case(II) where it is induced on an incipient band by pairing due to Fermi-surface based interactions. Negative conclusions regarding the importance of incipient bands are largely based on case(I). However, we show explicitly that models under case(II) can explain the mild suppression of Tc, as well as robust large gaps on an incipient band. We also model the interplay between phonon and spin fluctuation (SF) driven SC and describe the bootstrap of electron-phonon SC by SF coupling the incipient and the regular bands. We argue that pairing on incipient bands may be important in several Fe-based materials, including LiFeAs, FeSe intercalates and FeSe monolayers on SrTiO3, and indeed may contribute to high Tc in some cases. In addition, we address the question whether this conclusion holds if the SF interaction is derived explicitly in the incipient band scenario and retardation effects are included on the level of the Eliashberg equations. SM was supported by NHMFL through NSF-DMR-1157490, AL and PJH were supported in part by DOE DE-FG02-05ER46236.

  14. Lithium-modulated conduction band edge shifts and charge-transfer dynamics in dye-sensitized solar cells based on a dicyanamide ionic liquid.

    PubMed

    Bai, Yu; Zhang, Jing; Wang, Yinghui; Zhang, Min; Wang, Peng

    2011-04-19

    Lithium ions are known for their potent function in modulating the energy alignment at the oxide semiconductor/dye/electrolyte interface in dye-sensitized solar cells (DSCs), offering the opportunity to control the associated multichannel charge-transfer dynamics. Herein, by optimizing the lithium iodide content in 1-ethyl-3-methylimidazolium dicyanamide-based ionic liquid electrolytes, we present a solvent-free DSC displaying an impressive 8.4% efficiency at 100 mW cm(-2) AM1.5G conditions. We further scrutinize the origins of evident impacts of lithium ions upon current density-voltage characteristics as well as photocurrent action spectra of DSCs based thereon. It is found that, along with a gradual increase of the lithium content in ionic liquid electrolytes, a consecutive diminishment of the open-circuit photovoltage arises, primarily owing to a noticeable downward movement of the titania conduction band edge. The conduction band edge displacement away from vacuum also assists the formation of a more favorable energy offset at the titania/dye interface, and thereby leads to a faster electron injection rate and a higher exciton dissociation yield as implied by transient emission measurements. We also notice that the adverse influence of the titania conduction band edge downward shift arising from lithium addition upon photovoltage is partly compensated by a concomitant suppression of the triiodide involving interfacial charge recombination.

  15. Time-resolved observation of band-gap shrinking and electron-lattice thermalization within X-ray excited gallium arsenide.

    PubMed

    Ziaja, Beata; Medvedev, Nikita; Tkachenko, Victor; Maltezopoulos, Theophilos; Wurth, Wilfried

    2015-01-01

    Femtosecond X-ray irradiation of solids excites energetic photoelectrons that thermalize on a timescale of a few hundred femtoseconds. The thermalized electrons exchange energy with the lattice and heat it up. Experiments with X-ray free-electron lasers have unveiled so far the details of the electronic thermalization. In this work we show that the data on transient optical reflectivity measured in GaAs irradiated with femtosecond X-ray pulses can be used to follow electron-lattice relaxation up to a few tens of picoseconds. With a dedicated theoretical framework, we explain the so far unexplained reflectivity overshooting as a result of band-gap shrinking. We also obtain predictions for a timescale of electron-lattice thermalization, initiated by conduction band electrons in the temperature regime of a few eVs. The conduction and valence band carriers were then strongly non-isothermal. The presented scheme is of general applicability and can stimulate further studies of relaxation within X-ray excited narrow band-gap semiconductors. PMID:26655671

  16. Time-resolved observation of band-gap shrinking and electron-lattice thermalization within X-ray excited gallium arsenide.

    PubMed

    Ziaja, Beata; Medvedev, Nikita; Tkachenko, Victor; Maltezopoulos, Theophilos; Wurth, Wilfried

    2015-12-11

    Femtosecond X-ray irradiation of solids excites energetic photoelectrons that thermalize on a timescale of a few hundred femtoseconds. The thermalized electrons exchange energy with the lattice and heat it up. Experiments with X-ray free-electron lasers have unveiled so far the details of the electronic thermalization. In this work we show that the data on transient optical reflectivity measured in GaAs irradiated with femtosecond X-ray pulses can be used to follow electron-lattice relaxation up to a few tens of picoseconds. With a dedicated theoretical framework, we explain the so far unexplained reflectivity overshooting as a result of band-gap shrinking. We also obtain predictions for a timescale of electron-lattice thermalization, initiated by conduction band electrons in the temperature regime of a few eVs. The conduction and valence band carriers were then strongly non-isothermal. The presented scheme is of general applicability and can stimulate further studies of relaxation within X-ray excited narrow band-gap semiconductors.

  17. Time-resolved observation of band-gap shrinking and electron-lattice thermalization within X-ray excited gallium arsenide

    NASA Astrophysics Data System (ADS)

    Ziaja, Beata; Medvedev, Nikita; Tkachenko, Victor; Maltezopoulos, Theophilos; Wurth, Wilfried

    2015-12-01

    Femtosecond X-ray irradiation of solids excites energetic photoelectrons that thermalize on a timescale of a few hundred femtoseconds. The thermalized electrons exchange energy with the lattice and heat it up. Experiments with X-ray free-electron lasers have unveiled so far the details of the electronic thermalization. In this work we show that the data on transient optical reflectivity measured in GaAs irradiated with femtosecond X-ray pulses can be used to follow electron-lattice relaxation up to a few tens of picoseconds. With a dedicated theoretical framework, we explain the so far unexplained reflectivity overshooting as a result of band-gap shrinking. We also obtain predictions for a timescale of electron-lattice thermalization, initiated by conduction band electrons in the temperature regime of a few eVs. The conduction and valence band carriers were then strongly non-isothermal. The presented scheme is of general applicability and can stimulate further studies of relaxation within X-ray excited narrow band-gap semiconductors.

  18. Effect of boron localized states on the conduction band transport in B{sub x}Ga{sub 1−x}P

    SciTech Connect

    Petznick, S.; Ostheim, L. Klar, P. J.; Liebich, S.; Volz, K.; Stolz, W.

    2014-12-01

    We study the magnetotransport properties of an n-type (B,Ga)P:Te alloy and an n-type GaP:Te reference under hydrostatic pressure up to 17 kilobars in the temperature range from 1.5 to 300 K. The free carrier concentration and the mobility of the reference sample are almost independent of the applied hydrostatic pressure at room temperature. In contrast, the free carrier concentration as well as the mobility in the B{sub 0.012}Ga{sub 0.988}P:Te alloy increase by about 30% over the accessible pressure range. The observations are explained by assuming that a boron-related density of localized states exists in the vicinity of the conduction band edge of the alloy. These boron states act as electron traps as well as efficient scatter centers. Applying hydrostatic pressure shifts the energetic positions of conduction band edge at the X-point (where the electron transport takes place) and of the boron states apart reducing the impact of boron on the electronic transport properties of the alloy.

  19. Analysis of Kikuchi band contrast reversal in electron backscatter diffraction patterns of silicon.

    PubMed

    Winkelmann, Aimo; Nolze, Gert

    2010-02-01

    We analyze the contrast reversal of Kikuchi bands that can be seen in electron backscatter diffraction (EBSD) patterns under specific experimental conditions. The observed effect can be reproduced using dynamical electron diffraction calculations. Two crucial contributions are identified to be at work: First, the incident beam creates a depth distribution of incoherently backscattered electrons which depends on the incidence angle of the beam. Second, the localized inelastic scattering in the outgoing path leads to pronounced anomalous absorption effects for electrons at grazing emission angles, as these electrons have to go through the largest amount of material. We use simple model depth distributions to account for the incident beam effect, and we assume an exit angle dependent effective crystal thickness in the dynamical electron diffraction calculations. Very good agreement is obtained with experimental observations for silicon at 20keV primary beam energy.

  20. Observations of Multi-band Structures in Double Star TC-1 PEACE Electron and HIA Ion Data

    NASA Astrophysics Data System (ADS)

    Mohan Narasimhan, K.; Fazakerley, A. N.; Grimald, S.; Dandouras, I. S.; Mihaljcic, B.; Kistler, L. M.; Owen, C. J.

    2015-12-01

    Several authors have reported inner magnetosphere observations of proton distributions confined to narrow energy bands in the range 1 - 25 keV (Smith and Hoffman (1974), etc). These structures have been described as "nose structures", with reference to their appearance in energy-time spectrograms and are also known as "bands" if they occur for extended periods of time. Multi-nose structures have been observed if 2 or more noses appear at the same time (Vallat et al., 2007). Gaps between "noses" (or "bands") have been explained in terms of the competing corotation, convection and magnetic gradient drifts. Charge exchange losses in slow drift paths for steady state scenarios and the role of substorm injections have also been considered (Li et al., 2000; Ebihara et al., 2004). We analyse observations of electron and ion multi-band structures frequently seen in Double-Star TC1 PEACE and HIA data. We present results from statistical surveys conducted using data from the duration of the mission. Furthermore, using a combination of both statistics and simulations, we test previous theories as to possible formation mechanisms and explore other possible explanations.

  1. Doping and strain dependence of the electronic band structure in Ge and GeSn alloys

    NASA Astrophysics Data System (ADS)

    Xu, Chi; Gallagher, James; Senaratne, Charutha; Brown, Christopher; Fernando, Nalin; Zollner, Stefan; Kouvetakis, John; Menendez, Jose

    2015-03-01

    A systematic study of the effect of dopants and strain on the electronic structure of Ge and GeSn alloys is presented. Samples were grown by UHV-CVD on Ge-buffered Si using Ge3H8 and SnD4 as the sources of Ge and Sn, and B2H6/P(GeH3)3 as dopants. High-energy critical points in the joint-density of electronic states were studied using spectroscopic ellipsometry, which yields detailed information on the strain and doping dependence of the so-called E1, E1 +Δ1 , E0' and E2 transitions. The corresponding dependencies of the lowest direct band gap E0 and the fundamental indirect band gap Eindwere studied via room-T photoluminescence spectroscopy. Of particular interest for this work were the determination of deformation potentials, band gap renormalization effects, Burstein-Moss shifts due to the presence of carriers at band minima, and the dependence of other critical point parameters, such as amplitudes and phase angles, on the doping concentration. The selective blocking of transitions due to high doping makes it possible to investigate the precise k-space location of critical points. These studies are complemented with detailed band-structure calculations within a full-zone k-dot- p approach. Supported by AFOSR under DOD AFOSR FA9550-12-1-0208 and DOD AFOSR FA9550-13-1-0022.

  2. A class of monolayer metal halogenides MX2: Electronic structures and band alignments

    NASA Astrophysics Data System (ADS)

    Lu, Feng; Wang, Weichao; Luo, Xiaoguang; Xie, Xinjian; Cheng, Yahui; Dong, Hong; Liu, Hui; Wang, Wei-Hua

    2016-03-01

    With systematic first principles calculations, a class of monolayer metal halogenides MX2 (M = Mg, Ca, Zn, Cd, Ge, Pb; M = Cl, Br, I) has been proposed. Our study indicates that these monolayer materials are semiconductors with the band gaps ranging from 2.03 eV of ZnI2 to 6.08 eV of MgCl2. Overall, the band gap increases with the increase of the electronegativity of the X atom or the atomic number of the metal M. Meanwhile, the band gaps of monolayer MgX2 (X = Cl, Br) are direct while those of other monolayers are indirect. Based on the band edge curvatures, the derived electron (me) and hole (mh) effective masses of MX2 monolayers are close to their corresponding bulk values except that the me of CdI2 is three times larger and the mh for PbI2 is twice larger. Finally, the band alignments of all the studied MX2 monolayers are provided using the vacuum level as energy reference. These theoretical results may not only introduce the monolayer metal halogenides family MX2 into the emerging two-dimensional materials, but also provide insights into the applications of MX2 in future electronic, visible and ultraviolet optoelectronic devices.

  3. Band Coupling Model of Electron and Hole Mediated Ferromagnetism in Semiconductors: The Case of GaN

    SciTech Connect

    Wei, S. H.; Dalpian, G. M.

    2008-01-01

    Transition metal (TM) doped diluted magnetic semiconductors (DMSs) have many unique physical properties that can be used for magneto-optical and spintronic applications. The DMSs exhibit a wide range of magnetic ordering behavior. For example, Mn doped GaN can be either ferromagnetic or antiferromagnetic, depending on the Mn concentration, carrier density, or pressure. A unified band coupling model based on the p-d and d-d level repulsions between the TM and host elements are developed to explain the hole-induced ferromagnetism. We show that kinetic s-d coupling can be introduced through chemical ordering and strain, thus leading to electron-mediated ferromagnetism. Moreover, by using rare-earth elements (e.g., Gd) as magnetic dopants, the symmetry-allowed s-f coupling can also lead to a large splitting at the conduction band edge, producing electron-mediated ferromagnetism. Our model, therefore, provides a simple guideline for future band structure engineering of magnetic semiconductors.

  4. More light on the low electronic transition energy bands of dithizone

    NASA Astrophysics Data System (ADS)

    Mahmoud, M. R.; El Gaber, A. A. Abd; El Roudi, A. M.; Soliman, E. M.

    The visible electronic spectral behaviour of different concentrations of dithizone in pure and mixed various organic solvents has been investigated. It is identified that in dilute basic solvents solutions, dithizone (H 2DZ) exists mainly in monovalent anionic form (HDZ -), where its extent of ionization is largely dependent on the solvent basicity effect. The visible absorption band belonging to absorption of HDZ - form and the shorter visible one belonging to absorption of H 2DZ form are assigned to a transition involving the whole solute associated with intramolecular CT interaction. On the other hand, the longer wavelength visible band observed in the spectrum of the H 2DZ form is assigned to absorption of hydrogen bonding solvated molecular complex. This involves an electron transfer from the lone pair of electrons belonging to solvent molecule to the σ*-antibonding orbital of the acidic NH bond belongs to H 2DZ form.

  5. X-Band Microwave Undulators for Short Wavelength Free-Electron Lasers

    SciTech Connect

    Pellegrini, C.

    2006-01-03

    Microwave undulators have two features that make them attractive to use in free-electron lasers, when compared with conventional static magnetic undulators. One is that the beam aperture is larger than the period, and thus the undulator period is smaller than that achievable with static systems. The second is the possibility of easily producing both circular and planar polarization and dynamically controlling the polarization characteristic and the undulator field intensity. The recent development of high power klystrons and pulse compression techniques at X-band frequency, near 12 GHz, is making this type of undulators very attractive for use in short wavelength free-electron lasers operating in the few nanometers to the Angstrom spectral region. In this paper we discuss the choice of parameters for X-band microwave undulators, the effect of microwave energy losses in the waveguide walls and its possible compensation by tapering the waveguide geometry, and the characteristics of free-electron lasers based on these systems.

  6. Excitation of the ligand-to-metal charge transfer band induces electron tunnelling in azurin

    SciTech Connect

    Baldacchini, Chiara; Bizzarri, Anna Rita; Cannistraro, Salvatore

    2014-03-03

    Optical excitation of azurin blue copper protein immobilized on indium-tin oxide, in resonance with its ligand-to-metal charge transfer absorption band, resulted in a light-induced current tunnelling within the protein milieu. The related electron transport rate is estimated to be about 10{sup 5} s{sup −1}. A model based on resonant tunnelling through an azurin excited molecular state is proposed. The capability of controlling electron transfer processes through light pulses opens interesting perspectives for implementation of azurin in bio-nano-opto-electronic devices.

  7. The two dimensional electron system as a nanoantenna in the microwave and terahertz bands

    NASA Astrophysics Data System (ADS)

    Iñarrea, Jesús

    2011-12-01

    We study the magnetoresistance of two-dimensional electron systems under several radiation sources of different frequencies for moderate power. We use the model of radiation-driven electron orbits extended to this regime. First, we consider the case of two different radiations and we find a regime of superposition or interference of harmonic motions, i.e., a modulated magnetoresistance response with pulses and beats. Finally, we consider a multiple photoexcitation case where we propose the two-dimensional electron system as a potential nanoantenna device or ultrasensitive detector for the microwave and terahertz bands. Thus, these results could be of special interest in nanophotonics and nanoelectronics.

  8. X-ray absorption and reflection as probes of the GaN conduction bands: Theory and experiments

    SciTech Connect

    Lambrecht, W.R.L.; Rashkeev, S.N.; Segall, B.

    1997-04-01

    X-ray absorption measurements are a well-known probe of the unoccupied states in a material. The same information can be obtained by using glancing angle X-ray reflectivity. In spite of several existing band structure calculations of the group III nitrides and previous optical studies in UV range, a direct probe of their conduction band densities of states is of interest. The authors performed a joint experimental and theoretical investigation using both of these experimental techniques for wurtzite GaN.

  9. Long-term drift induced by the electronic crosstalk in Terra MODIS Band 29

    NASA Astrophysics Data System (ADS)

    Sun, Junqiang; Madhavan, Sriharsha; Xiong, Xiaoxiong; Wang, Menghua

    2015-10-01

    Terra MODerate Resolution Imaging Spectroradiometer (MODIS) is one of the key sensors in the NASA's Earth Observing System, which has successfully completed 15 years of on-orbit operation. Terra MODIS continues to collect valuable information of the Earth's energy radiation from visible to thermal infrared wavelengths. The instrument has been well characterized over its lifetime using onboard calibrators whose calibration references are traceable to the National Institute of Standards and Technology standards. In this paper, we focus on the electronic crosstalk effect of Terra MODIS band 29, a thermal emissive band (TEB) whose center wavelength is 8.55 µm. Previous works have established the mechanism to describe the effect of the electronic crosstalk in the TEB channels of Terra MODIS. This work utilizes the established methodology to apply to band 29. The electronic crosstalk is identified and characterized using the regularly scheduled lunar observations. The moon being a near-pulse-like source allowed easy detection of extraneous signals around the actual Moon surface. First, the crosstalk-transmitting bands are identified along with their amplitudes. The crosstalk effect then is characterized using a moving average mechanism that allows a high fidelity of the magnitude to be corrected. The lunar-based analysis unambiguously shows that the crosstalk contamination is becoming more severe in recent years and should be corrected in order to maintain calibration quality for the affected spectral bands. Finally, two radiometrically well-characterized sites, Pacific Ocean and Libya 1 desert, are used to assess the impact of crosstalk effect. It is shown that the crosstalk contamination induces a long-term upward drift of 1.5 K in band 29 brightness temperature of MODIS Collection 6 L1B, which could significantly impact the science products. The crosstalk effect also induces strong detector-to-detector differences, which result in severe stripping in the Earth view

  10. Enhanced tunable narrow-band THz emission from laser-modulated electron beams

    SciTech Connect

    Xiang, D.; Stupakov, G.; /SLAC

    2009-06-19

    We propose and analyze a scheme to generate enhanced narrow-band terahertz (THz) radiation through down-conversion of the frequency of optical lasers using laser-modulated electron beams. In the scheme the electron beam is first energy modulated by two lasers with wave numbers k{sub 1} and k2, respectively. After passing through a dispersion section, the energy modulation is converted to density modulation. Due to the nonlinear conversion process, the beam will have density modulation at wave number k = nk{sub 1} + mk{sub 2}, where n and m are positive or negative integers. By properly choosing the parameters for the lasers and dispersion section, one can generate density modulation at THz frequency in the beam using optical lasers. This density-modulated beam can be used to generate powerful narrow-band THz radiation. Since the THz radiation is in tight synchronization with the lasers, it should provide a high temporal resolution for the optical-pump THz-probe experiments. The central frequency of the THz radiation can be easily tuned by varying the wavelength of the two lasers and the energy chirp of the electron beam. The proposed scheme is in principle able to generate intense narrow-band THz radiation covering the whole THz range and offers a promising way towards the tunable intense narrow-band THz sources.

  11. Electronic band structure and optical properties of the cubic, Sc, Y and La hydride systems

    SciTech Connect

    Peterman, D.J.

    1980-01-01

    Electronic band structure calculations are used to interpret the optical spectra of the cubic Sc, Y and La hydride systems. Self-consistent band calculations of ScH/sub 2/ and YH/sub 2/ were carried out. The respective joint densities of states are computed and compared to the dielectric functions determined from the optical measurements. Additional calculations were performed in which the Fermi level or band gap energies are rigidly shifted by a small energy increment. These calculations are then used to simulate the derivative structure in thermomodulation spectra and relate the origin of experimental interband features to the calculated energy bands. While good systematic agreement is obtained for several spectral features, the origin of low-energy interband transitions in YH/sub 2/ cannot be explained by these calculated bands. A lattice-size-dependent premature occupation of octahedral sites by hydrogen atoms in the fcc metal lattice is suggested to account for this discrepancy. Various non-self-consistent calculations are used to examine the effect of such a premature occupation. Measurements of the optical absorptivity of LaH/sub x/ with 1.6 < x < 2.9 are presented which, as expected, indicate a more premature occupation of the octahedral sites in the larger LaH/sub 2/ lattice. These experimental results also suggest that, in contrast to recent calculations, LaH/sub 3/ is a small-band-gap semiconductor.

  12. Electronic structure descriptor for the discovery of narrow-band red-emitting phosphors

    DOE PAGES

    Wang, Zhenbin; Chu, Iek -Heng; Zhou, Fei; Ong, Shyue Ping

    2016-05-09

    Narrow-band red-emitting phosphors are a critical component of phosphor-converted light-emitting diodes for highly efficient illumination-grade lighting. In this work, we report the discovery of a quantitative descriptor for narrow-band Eu2+-activated emission identified through a comparison of the electronic structures of known narrow-band and broad-band phosphors. We find that a narrow emission bandwidth is characterized by a large splitting of more than 0.1 eV between the two highest Eu2+ 4f7 bands. By incorporating this descriptor in a high-throughput first-principles screening of 2259 nitride compounds, we identify five promising new nitride hosts for Eu2+-activated red-emitting phosphors that are predicted to exhibit goodmore » chemical stability, thermal quenching resistance, and quantum efficiency, as well as narrow-band emission. Lastly, our findings provide important insights into the emission characteristics of rare-earth activators in phosphor hosts and a general strategy to the discovery of phosphors with a desired emission peak and bandwidth.« less

  13. Phase analysis on dual-phase steel using band slope of electron backscatter diffraction pattern.

    PubMed

    Kang, Jun-Yun; Park, Seong-Jun; Moon, Man-Been

    2013-08-01

    A quantitative and automated phase analysis of dual-phase (DP) steel using electron backscatter diffraction (EBSD) was attempted. A ferrite-martensite DP microstructure was produced by intercritical annealing and quenching. An EBSD map of the microstructure was obtained and post-processed for phase discrimination. Band slope (BS), which was a measure of pattern quality, exhibited much stronger phase contrast than another conventional one, band contrast. Owing to high sensitivity to lattice defect and little orientation dependence, BS provided handiness in finding a threshold for phase discrimination. Its grain average gave a superior result on the discrimination and volume fraction measurement of the constituent phases in the DP steel.

  14. Analysis of the electronic structure of crystals through band structure unfolding

    NASA Astrophysics Data System (ADS)

    Gordienko, A. B.; Kosobutsky, A. V.

    2016-03-01

    In this work, we consider an alternative implementation of the band structure unfolding method within the framework of the density functional theory, which combines the advantages of the basis of localized functions and plane waves. This approach has been used to analyze the electronic structure of the ordered CuCl x Br1- x copper halide alloys and F 0 center in MgO that enables us to reveal qualitatively the features remaining hidden when using the standard supercell method, because of the complex band structure of systems with defects.

  15. Dual electron-phonon coupling model for gigantic photoenhancement of the dielectric constant and electronic conductivity in SrTi O3

    NASA Astrophysics Data System (ADS)

    Qiu, Y.; Wu, C. Q.; Nasu, K.

    2005-12-01

    In connection with the recent experimental discovery on photoenhancements of the electronic conductivity and the quasi-static electric susceptibility in SrTiO3 , we theoretically study a photogeneration mechanism of charged and conductive ferroelectric domains in this perovskite type quantum dielectric. The photo-generated electron, being quite itinerant in the 3d band of Ti4+ , is assumed to couple weakly but quadratically with soft-anharmonic T1u phonons in this quantum dielectric, in view of the parity of this lattice vibration. The photo-generated electron is also assumed to couple strongly but linearly with the breathing type high energy phonons. Using a tight-binding model for electrons, we will show that this dual electron-phonon coupling results in two types of polarons, a “super-para-electric (SPE) large polaron” with a quasi-globle parity violation, and an “off-center type self-trapped polaron” with only a local parity violation. This SPE large polaron is shown to be equal to a singly charged (e-) and conductive ferroelectric domain with a quasi-macroscopic range. Two of such large polarons are shown to aggregate and form an SPE large bipolaron, which is still conductive. Various other bipolaron clusters are also shown to be formed in this electron-phonon coupled system. These large polarons have a high mobility and an enhanced quasi-static dielectric susceptibility. Effect of adulteration is also discussed.

  16. Influence of variations in the electron-electron interaction on the ground state metric space "band structure" of a two-electron magnetic system

    NASA Astrophysics Data System (ADS)

    Sharp, P. M.; D'Amico, I.

    2016-02-01

    We consider a model system of two electrons confined in a two-dimensional harmonic oscillator potential, with the electrons interacting via an α / r2 potential, and subject to a magnetic field applied perpendicular to the plane of confinement. Our results show that variations in the strength of the electron-electron interaction generate a "band structure" in ground state metric spaces, which shares many characteristics with those generated as a result of varying the confinement potential. In particular, the metric spaces for wavefunctions, particle densities, and paramagnetic current densities all exhibit distinct "bands" and "gaps". The behavior of the polar angle of the bands also shares traits with that obtained by varying the confinement potential, but the behavior of the arc lengths of the bands on the metric space spheres can be seen to be different for the two cases and opposite for a large range of angular momentum values. The findings here and in Refs. [1,2] demonstrate that the "band structure" that arises in ground state metric spaces when a magnetic field is applied is a robust feature.

  17. Growth of the 889 per cm infrared band in annealed electron-irradiated silicon

    NASA Technical Reports Server (NTRS)

    Svensson, B. G.; Lindstrom, J. L.; Corbett, J. W.

    1985-01-01

    Isothermal annealing of electron-irradiated Czochralski silicon has been studied at four different temperatures ranging from 304 to 350 C using infrared spectroscopy. At annealing temperatures above 300 C the irradiation-induced band at 830 per cm, usually attributed to a vacancy-oxygen complex (the A center), disappears and a new band at 889 per cm grows up. Within the experimental accuracy, the activation energy for the growth of this band is found to be identical with the value given by Stavola et al. for 'anomalous' oxygen diffusion in silicon. Also the frequency factors for the two processes are in reasonable agreement. The results show that a vacancy-assisted process may provide an explanation for enhanced motion of oxygen in silicon.

  18. Electronic Band Structures and Native Point Defects of Ultrafine ZnO Nanocrystals.

    PubMed

    Zeng, Yu-Jia; Schouteden, Koen; Amini, Mozhgan N; Ruan, Shuang-Chen; Lu, Yang-Fan; Ye, Zhi-Zhen; Partoens, Bart; Lamoen, Dirk; Van Haesendonck, Chris

    2015-05-20

    Ultrafine ZnO nanocrystals with a thickness down to 0.25 nm are grown by a metalorganic chemical vapor deposition method. Electronic band structures and native point defects of ZnO nanocrystals are studied by a combination of scanning tunneling microscopy/spectroscopy and first-principles density functional theory calculations. Below a critical thickness of ∼1 nm ZnO adopts a graphitic-like structure and exhibits a wide band gap similar to its wurtzite counterpart. The hexagonal wurtzite structure, with a well-developed band gap evident from scanning tunneling spectroscopy, is established for a thickness starting from ∼1.4 nm. With further increase of the thickness to 2 nm, VO-VZn defect pairs are easily produced in ZnO nanocrystals due to the self-compensation effect in highly doped semiconductors. PMID:25923131

  19. Electronic d-band properties of gold nanoclusters grown on amorphous carbon

    SciTech Connect

    Visikovskiy, Anton; Matsumoto, Hisashi; Mitsuhara, Kei; Nakada, Toshitaka; Kido, Yoshiaki; Akita, Tomoki

    2011-04-15

    The electronic d-band properties are important factors for the emerging catalytic activity of Au nanoclusters of sub-5-nm size. We analyzed the d-band properties of Au nanoclusters grown on amorphous carbon supports by photoelectron spectroscopy using synchrotron-radiation light coupled with high-resolution ion scattering spectrometry which enables us to estimate the size and shape of Au nanoclusters. The d-band width (W{sub d}), d-band center position (E{sub d}), and apparent 5d{sub 3/2}-d{sub 5/2} spin-orbit splitting (E{sub SO}) were determined as a function of a number of Au atoms per cluster (n{sub A}) and an average coordination number (n{sub C}) in a wide range (11band narrowing which is caused by hybridization of fewer wave functions of the valence electrons. However, E{sub d} shifts to the higher binding energy side with decreasing cluster size. The rapid movement of E{sub d} is attributed to the dynamic final-state effect, which results in higher binding energy shifts of core and valence states due to a positive hole created after photoelectron emission. We have estimated the contribution from the final-state effect and derived the approximated initial-state spectra. Modified data, however, still show a slight movement of the d-band center away from the Fermi level (E{sub F}) although the E{sub d} values for Au nanoclusters are closer to E{sub F} compared to the bulk value. This behavior is ascribed to the contraction of average Au-Au bond length with decreasing cluster size.

  20. Interlayer interaction and π-band electron occupation on top layers of freshly cleaved bulk HOPG investigated with N(E) C KVV Auger electron spectroscopy

    NASA Astrophysics Data System (ADS)

    Dementjev, A. P.; Ivanov, K. E.; Tsyvkunova, E. A.

    2015-12-01

    N(E) C KVV Auger spectra (V = σsσpπ) were used for measurement of the π-band electron occupation of five outer layers on freshly cleaved bulk HOPG. The π-band electron occupation of the 1-5 graphene layers was measured relative to the electron concentration in the σp-band. In-depth π-band profiles were obtained by means of variation of the Auger electron takeoff angle within the range of 15-90°. Differences in the π-band electron occupation of the 1-5 graphene layers were determined. The π-band electron occupation varies from 0 at the top graphene layer to that of the π-band electron occupation typical for bulk HOPG at the 5th graphene layer counted from the outer surface. These results are discussed on the basis of the π-band formation under the interlayer interaction of the pz-electrons.

  1. Conducting Research on the Internet: Strategies for Electronic Interviewing.

    ERIC Educational Resources Information Center

    Persichitte, Kay A.; And Others

    This study provides guidelines for using electronic mail for data collection and sheds light on some of the substantive issues related to research via this medium. Researchers creating electronic interview situations for the study stressed that the atmosphere should be informal and conversational. Interviewees were encouraged to use typical…

  2. Structural characteristic correlated to the electronic band gap in Mo S2

    NASA Astrophysics Data System (ADS)

    Chu, Shengqi; Park, Changyong; Shen, Guoyin

    2016-07-01

    The structural evolution with pressure in bulk Mo S2 has been investigated by high-pressure x-ray diffraction using synchrotron radiation. We found that the out-of-plane S-Mo-S bond angle θ increases and that in in-plane angle ϕ decreases linearly with increasing pressure across the known semiconducting-to-metal phase transition, whereas the Mo-S bond length and the S-Mo-S trilayer thickness display only little change. Extrapolating the experimental result along the in-plane lattice parameter with pressure, both S-Mo-S bond angles trend to those found in monolayer Mo S2 , which manifests as a structural characteristic closely correlating the electronic band gap of Mo S2 to its physical forms and phases, e.g., monolayer as direct band gap semiconductor, multilayer or bulk as indirect band gap semiconductor, and high-pressure (>19 GPa ) bulk form as metal. Combined with the effects of bond strength and van der Waals interlayer interactions, the structural correlations between the characteristic bond angle and electronic band gaps are readily extendible to other transition metal dichalcogenide systems (M X2 , where M =Mo , W and X =S , Se, Te).

  3. Topologically nontrivial electronic bands and tunable Dirac cones in graphynes with spin-orbit coupling

    NASA Astrophysics Data System (ADS)

    Juricic, Vladimir; van Miert, Guido; Morais Smith, Cristiane

    2015-03-01

    Graphynes represent an emerging family of carbon allotropes that differ from graphene by the presence of the triple bonds (-C ≡C-) in their band structure. They have recently attracted much interest due to the tunability of the Dirac cones in the band structure. I will show that the spin-orbit coupling in β-graphyne could produce various effects related to the topological properties of its electronic bands. Intrinsic spin-orbit coupling yields high- and tunable Chern-number bands, which may host both topological and Chern insulators, in the presence and absence of time-reversal symmetry, respectively. Furthermore, Rashba spin-orbit coupling can be used to control the position and the number of Dirac cones in the Brillouin zone. Finally, I will also discuss the electronic properties of α - and γ - graphyne in the presence of the spin-orbit coupling within recently developed general theory of spin-orbit couplings in graphynes. Work supported by the Netherlands Organization for Scientific Research (NWO).

  4. Size effect on the electronic and optical band gap of CdSe QD

    SciTech Connect

    Sisodia, Namita

    2014-04-24

    Present paper deals with a critical and comprehensive analysis of the dependence of photo emission (PE) electronic band gap and optical absorption (OA) excitonic band gap on the size of CdSe QD, via connecting it with excitonic absorbance wavelength. Excitonic absorbance wavelength is determined through an empirical fit of established experimental evidences. Effective excitonic charge and Bohr radius is determined as a function of size. Increase in size of the CdSe QD results in greater Bohr radius and smaller effective excitonic charge. Excitonic binding energy as a degree of size of QD is also calculated which further relates with the difference in PE electronic and OA optical band gaps. It is also shown that with increase in size of CdSe QD, the excitonic binding energy decreases which consequently increases differences in two band gaps. Our results are very well comparable with the established results. Explanation for the origin of the unusual optical properties of CdSe QD has been also discussed.

  5. Band gap widening at random CIGS grain boundary detected by valence electron energy loss spectroscopy

    NASA Astrophysics Data System (ADS)

    Keller, Debora; Buecheler, Stephan; Reinhard, Patrick; Pianezzi, Fabian; Bissig, Benjamin; Carron, Romain; Hage, Fredrik; Ramasse, Quentin; Erni, Rolf; Tiwari, Ayodhya N.

    2016-10-01

    Cu(In,Ga) Se2 (CIGS) thin film solar cells have demonstrated very high efficiencies, but still the role of nanoscale inhomogeneities in CIGS and their impact on the solar cell performance are not yet clearly understood. Due to the polycrystalline structure of CIGS, grain boundaries are very common structural defects that are also accompanied by compositional variations. In this work, we apply valence electron energy loss spectroscopy in scanning transmission electron microscopy to study the local band gap energy at a grain boundary in the CIGS absorber layer. Based on this example, we demonstrate the capabilities of a 2nd generation monochromator that provides a very high energy resolution and allows for directly relating the chemical composition and the band gap energy across the grain boundary. A band gap widening of about 20 meV is observed at the grain boundary. Furthermore, the compositional analysis by core-loss EELS reveals an enrichment of In together with a Cu, Ga and Se depletion at the same area. The experimentally obtained results can therefore be well explained by the presence of a valence band barrier at the grain boundary.

  6. Microstructural evolution in adiabatic shear bands of copper at high strain rates: Electron backscatter diffraction characterization

    SciTech Connect

    Tang Lin; Chen Zhiyong; Zhan Congkun; Yang Xuyue; Liu Chuming; Cai Hongnian

    2012-02-15

    The microstructural evolution of adiabatic shear bands in annealed copper with different large strains at high strain rates has been investigated by electron backscatter diffraction. The results show that mechanical twinning can occur with minimal contribution to shear localization under dynamic loading. Elongated ultrafine grains with widths of 100-300 nm are observed during the evolution of the adiabatic shear bands. A rotational dynamic recrystallization mechanism is proposed to explain the formation of the elongated ultrafine grains. - Highlights: Black-Right-Pointing-Pointer The microstructural evolution of ASB is studied by electron backscatter diffraction. Black-Right-Pointing-Pointer Twinning can occur in ASB while the contribution to shear localization is slight. Black-Right-Pointing-Pointer Elongated ultrafine grains are observed during the evolution process of ASB. Black-Right-Pointing-Pointer A possible mechanism is proposed to explain the microstructure evolution of ASB.

  7. The change in dielectric constant, AC conductivity and optical band gaps of polymer electrolyte film: Gamma irradiation

    SciTech Connect

    Raghu, S. Subramanya, K. Sharanappa, C. Mini, V. Archana, K. Sanjeev, Ganesh Devendrappa, H.

    2014-04-24

    The effects of gamma (γ) irradiation on dielectric and optical properties of polymer electrolyte film were investigated. The dielectric constant and ac conductivity increases with γ dose. Also optical band gap decreased from 4.23 to 3.78ev after irradiation. A large dependence of the polymer properties on the irradiation dose was noticed. This suggests that there is a possibility of improving polymer electrolyte properties on gamma irradiation.

  8. Room-Temperature Electron Spin Relaxation of Triarylmethyl Radicals at X- and Q-bands

    PubMed Central

    Krumkacheva, Olesya A.; Strizhakov, Rodion K.; Rogozhnikova, Olga Yu.; Troitskaya, Tatiana I.

    2016-01-01

    Triarylmethyl radicals (trityls, TAMs) represent a relatively new class of spin labels. The long relaxation of trityls at room temperature in liquid solutions makes them a promising alternative for traditional nitroxides. In this work we have synthesized a series of TAMs including perdeuterated Finland trityl (D36 form) , mono-, di-, and tri-ester derivatives of Finland-D36 trityl, deuterated form of OX63, dodeca-n-butyl homologue of Finland trityl, and triamide derivatives of Finland trityl with primary and secondary amines attached. We have studied room-temperature relaxation properties of these TAMs in liquids using pulsed Electron Paramagnetic Resonance (EPR) at two microwave frequency bands. We have found the clear dependence of phase memory time (Tm~T2) on magnetic field: room-temperature Tm values are ~1.5-2.5 times smaller at Q-band (34 GHz, 1.2 T) compared to X-band (9 GHz, 0.3 T). This trend is ascribed to the contribution from g-anisotropy that is negligible at lower magnetic fields but comes into play at Q-band. In agreement with this, while T1~Tm at X-band, we observe T1>Tm at Q-band due to increased contributions from incomplete motional averaging of g-anisotropy. In addition, the viscosity dependence shows that (1/Tm-1/T1) is proportional to the tumbling correlation time of trityls. Based on the analysis of previous data and results of the present work, we conclude that in general situation where spin label is at least partly mobile, X-band is most suitable for application of trityls for room-temperature pulsed EPR distance measurements. PMID:26001103

  9. Novel Iron-based ternary amorphous oxide semiconductor with very high transparency, electronic conductivity, and mobility

    DOE PAGES

    Malasi, A.; Taz, H.; Farah, A.; Patel, M.; Lawrie, Benjamin; Pooser, R.; Baddorf, A.; Duscher, G.; Kalyanaraman, R.

    2015-12-16

    We report that ternary metal oxides of type (Me)2O3 with the primary metal (Me) constituent being Fe (66 atomic (at.) %) along with the two Lanthanide elements Tb (10 at.%) and Dy (24 at.%) can show excellent semiconducting transport properties. Thin films prepared by pulsed laser deposition at room temperature followed by ambient oxidation showed very high electronic conductivity (>5 × 104 S/m) and Hall mobility (>30 cm2/V-s). These films had an amorphous microstructure which was stable to at least 500 °C and large optical transparency with a direct band gap of 2.85 ± 0.14 eV. This material shows emergentmore » semiconducting behavior with significantly higher conductivity and mobility than the constituent insulating oxides. In conclusion, since these results demonstrate a new way to modify the behaviors of transition metal oxides made from unfilled d- and/or f-subshells, a new class of functional transparent conducting oxide materials could be envisioned.« less

  10. Novel Iron-based ternary amorphous oxide semiconductor with very high transparency, electronic conductivity, and mobility

    NASA Astrophysics Data System (ADS)

    Malasi, A.; Taz, H.; Farah, A.; Patel, M.; Lawrie, B.; Pooser, R.; Baddorf, A.; Duscher, G.; Kalyanaraman, R.

    2015-12-01

    Here we report that ternary metal oxides of type (Me)2O3 with the primary metal (Me) constituent being Fe (66 atomic (at.) %) along with the two Lanthanide elements Tb (10 at.%) and Dy (24 at.%) can show excellent semiconducting transport properties. Thin films prepared by pulsed laser deposition at room temperature followed by ambient oxidation showed very high electronic conductivity (>5 × 104 S/m) and Hall mobility (>30 cm2/V-s). These films had an amorphous microstructure which was stable to at least 500 °C and large optical transparency with a direct band gap of 2.85 ± 0.14 eV. This material shows emergent semiconducting behavior with significantly higher conductivity and mobility than the constituent insulating oxides. Since these results demonstrate a new way to modify the behaviors of transition metal oxides made from unfilled d- and/or f-subshells, a new class of functional transparent conducting oxide materials could be envisioned.

  11. Novel Iron-based ternary amorphous oxide semiconductor with very high transparency, electronic conductivity, and mobility

    SciTech Connect

    Malasi, A.; Taz, H.; Farah, A.; Patel, M.; Lawrie, Benjamin; Pooser, R.; Baddorf, A.; Duscher, G.; Kalyanaraman, R.

    2015-12-16

    We report that ternary metal oxides of type (Me)2O3 with the primary metal (Me) constituent being Fe (66 atomic (at.) %) along with the two Lanthanide elements Tb (10 at.%) and Dy (24 at.%) can show excellent semiconducting transport properties. Thin films prepared by pulsed laser deposition at room temperature followed by ambient oxidation showed very high electronic conductivity (>5 × 104 S/m) and Hall mobility (>30 cm2/V-s). These films had an amorphous microstructure which was stable to at least 500 °C and large optical transparency with a direct band gap of 2.85 ± 0.14 eV. This material shows emergent semiconducting behavior with significantly higher conductivity and mobility than the constituent insulating oxides. In conclusion, since these results demonstrate a new way to modify the behaviors of transition metal oxides made from unfilled d- and/or f-subshells, a new class of functional transparent conducting oxide materials could be envisioned.

  12. Novel Iron-based ternary amorphous oxide semiconductor with very high transparency, electronic conductivity, and mobility

    PubMed Central

    Malasi, A.; Taz, H.; Farah, A.; Patel, M.; Lawrie, B.; Pooser, R.; Baddorf, A.; Duscher, G.; Kalyanaraman, R.

    2015-01-01

    Here we report that ternary metal oxides of type (Me)2O3 with the primary metal (Me) constituent being Fe (66 atomic (at.) %) along with the two Lanthanide elements Tb (10 at.%) and Dy (24 at.%) can show excellent semiconducting transport properties. Thin films prepared by pulsed laser deposition at room temperature followed by ambient oxidation showed very high electronic conductivity (>5 × 104 S/m) and Hall mobility (>30 cm2/V-s). These films had an amorphous microstructure which was stable to at least 500 °C and large optical transparency with a direct band gap of 2.85 ± 0.14 eV. This material shows emergent semiconducting behavior with significantly higher conductivity and mobility than the constituent insulating oxides. Since these results demonstrate a new way to modify the behaviors of transition metal oxides made from unfilled d- and/or f-subshells, a new class of functional transparent conducting oxide materials could be envisioned. PMID:26670421

  13. Novel Iron-based ternary amorphous oxide semiconductor with very high transparency, electronic conductivity, and mobility.

    PubMed

    Malasi, A; Taz, H; Farah, A; Patel, M; Lawrie, B; Pooser, R; Baddorf, A; Duscher, G; Kalyanaraman, R

    2015-12-16

    Here we report that ternary metal oxides of type (Me)2O3 with the primary metal (Me) constituent being Fe (66 atomic (at.) %) along with the two Lanthanide elements Tb (10 at.%) and Dy (24 at.%) can show excellent semiconducting transport properties. Thin films prepared by pulsed laser deposition at room temperature followed by ambient oxidation showed very high electronic conductivity (>5 × 10(4) S/m) and Hall mobility (>30 cm(2)/V-s). These films had an amorphous microstructure which was stable to at least 500 °C and large optical transparency with a direct band gap of 2.85 ± 0.14 eV. This material shows emergent semiconducting behavior with significantly higher conductivity and mobility than the constituent insulating oxides. Since these results demonstrate a new way to modify the behaviors of transition metal oxides made from unfilled d- and/or f-subshells, a new class of functional transparent conducting oxide materials could be envisioned.

  14. Electron-impact excitation of the 31. 4-eV band in N sub 2

    SciTech Connect

    de Souza, G.G.B.; Bielschowsky, C.E.; Lucas, C.A.; Souza, A.C.A. )

    1990-08-01

    Generalized oscillator strengths (GOS) for the dipole-forbidden 31.4-eV band in N{sub 2} have been determined both experimentally and theoretically. The experimental values for the GOS were obtained using a crossed-beam electron spectrometer at 1-keV impact energy. The theoretical results were determined using the first Born approximation with {ital ab} {ital initio} configuration-interaction target wave functions.

  15. Effect of particle size on band gap and DC electrical conductivity of TiO2 nanomaterial

    NASA Astrophysics Data System (ADS)

    Avinash, B. S.; Chaturmukha, V. S.; Jayanna, H. S.; Naveen, C. S.; Rajeeva, M. P.; Harish, B. M.; Suresh, S.; Lamani, Ashok R.

    2016-05-01

    Materials reduced to the Nano scale can exhibit different properties compared to what they exhibit on a micro scale, enabling unique applications. When TiO2 is reduced to Nano scale it shows unique properties, of which the electrical aspect is highly important. This paper presents increase in the energy gap and decrease in conductivity with decrease in particle size of pure Nano TiO2 synthesized by hydrolysis and peptization of titanium isopropoxide. Aqueous solution with various pH and peptizing the resultant suspension will form Nano TiO2 at different particle sizes. As the pH of the solution is made acidic reduction in the particle size is observed. And it is confirmed from XRD using Scherer formula and SEM, as prepared samples are studied for UV absorbance, and DC conductivity from room temperature to 400°C. From the tauc plot it was observed, and calculated the energy band gap increases as the particle size decreases and shown TiO2 is direct band gap. From Arrhenius plot clearly we encountered, decrease in the conductivity for the decrease in particle size due to hopping of charge carriers and it is evident that, we can tailor the band gap by varying particle size.

  16. Theoretical and experimental differential cross sections for electron impact excitation of the electronic bands of furfural

    NASA Astrophysics Data System (ADS)

    Jones, D. B.; Neves, R. F. C.; Lopes, M. C. A.; da Costa, R. F.; do N. Varella, M. T.; Bettega, M. H. F.; Lima, M. A. P.; García, G.; Limão-Vieira, P.; Brunger, M. J.

    2016-03-01

    We report results from a joint experimental and theoretical investigation into electron scattering from the important industrial species furfural (C5H4O2). Specifically, differential cross sections (DCSs) have been measured and calculated for the electron-impact excitation of the electronic states of C5H4O2. The measurements were carried out at energies in the range 20-40 eV, and for scattered-electron angles between 10° and 90°. The energy resolution of those experiments was typically ˜80 meV. Corresponding Schwinger multichannel method with pseudo-potential calculations, for energies between 6-50 eV and with and without Born-closure, were also performed for a sub-set of the excited electronic-states that were accessed in the measurements. Those calculations were undertaken at the static exchange plus polarisation-level using a minimum orbital basis for single configuration interaction (MOB-SCI) approach. Agreement between the measured and calculated DCSs was qualitatively quite good, although to obtain quantitative accord, the theory would need to incorporate even more channels into the MOB-SCI. The role of multichannel coupling on the computed electronic-state DCSs is also explored in some detail.

  17. Theoretical modeling of low-energy electronic absorption bands in reduced cobaloximes

    DOE PAGES

    Bhattacharjee, Anirban; Chavarot-Kerlidou, Murielle; Dempsey, Jillian L.; Gray, Harry B.; Fujita, Etsuko; Muckerman, James T.; Fontecave, Marc; Artero, Vincent; Arantes, Guilherme M.; Field, Martin J.

    2014-08-11

    Here, we report that the reduced Co(I) states of cobaloximes are powerful nucleophiles that play an important role in the hydrogen-evolving catalytic activity of these species. In this work we have analyzed the low energy electronic absorption bands of two cobaloxime systems experimentally and using a variety of density functional theory and molecular orbital ab initio quantum chemical approaches. Overall we find a reasonable qualitative understanding of the electronic excitation spectra of these compounds but show that obtaining quantitative results remains a challenging task.

  18. Theoretical modeling of low-energy electronic absorption bands in reduced cobaloximes

    SciTech Connect

    Bhattacharjee, Anirban; Chavarot-Kerlidou, Murielle; Dempsey, Jillian L.; Gray, Harry B.; Fujita, Etsuko; Muckerman, James T.; Fontecave, Marc; Artero, Vincent; Arantes, Guilherme M.; Field, Martin J.

    2014-08-11

    Here, we report that the reduced Co(I) states of cobaloximes are powerful nucleophiles that play an important role in the hydrogen-evolving catalytic activity of these species. In this work we have analyzed the low energy electronic absorption bands of two cobaloxime systems experimentally and using a variety of density functional theory and molecular orbital ab initio quantum chemical approaches. Overall we find a reasonable qualitative understanding of the electronic excitation spectra of these compounds but show that obtaining quantitative results remains a challenging task.

  19. Surface-plasmon enhanced photodetection at communication band based on hot electrons

    SciTech Connect

    Wu, Kai; Zhan, Yaohui E-mail: xfli@suda.edu.cn; Wu, Shaolong; Deng, Jiajia; Li, Xiaofeng E-mail: xfli@suda.edu.cn

    2015-08-14

    Surface plasmons can squeeze light into a deep-subwavelength space and generate abundant hot electrons in the nearby metallic regions, enabling a new paradigm of photoconversion by the way of hot electron collection. Unlike the visible spectral range concerned in previous literatures, we focus on the communication band and design the infrared hot-electron photodetectors with plasmonic metal-insulator-metal configuration by using full-wave finite-element method. Titanium dioxide-silver Schottky interface is employed to boost the low-energy infrared photodetection. The photodetection sensitivity is strongly improved by enhancing the plasmonic excitation from a rationally engineered metallic grating, which enables a strong unidirectional photocurrent. With a five-step electrical simulation, the optimized device exhibits an unbiased responsivity of ∼0.1 mA/W and an ultra-narrow response band (FWHM = 4.66 meV), which promises to be a candidate as the compact photodetector operating in communication band.

  20. Micro-metric electronic patterning of a topological band structure using a photon beam

    NASA Astrophysics Data System (ADS)

    Golden, Mark; Frantzeskakis, Emmanouil; de Jong, Nick; Huang, Yingkai; Wu, Dong; Pan, Yu; de Visser, Anne; van Heumen, Erik; van Bay, Tran; Zwartsenberg, Berend; Pronk, Pieter; Varier Ramankutty, Shyama; Tytarenko, Alona; Xu, Nan; Plumb, Nick; Shi, Ming; Radovic, Milan; Varkhalov, Andrei

    2015-03-01

    The only states crossing EF in ideal, 3D TIs are topological surface states. Single crystals of Bi2Se3andBi2Te3 are too defective to exhibit bulk-insulating behaviour, and ARPES shows topologically trivial 2DEGs at EF in the surface region due to downward band bending. Ternary & quaternary alloys of Bi /Te /Se /Sb hold promise for obtaining bulk-insulating crystals. Here we report ARPES data from quaternary, bulk-insulating, Bi-based TIs. Shortly after cleavage in UHV, downward band bending pulls the bulk conduction band below EF, once again frustrating the ``topological only'' ambition for the Fermi surface. However, there is light at the end of the tunnel: we show that a super-band-gap photon beam generates a surface photovoltage sufficient to flatten the bands, thereby recovering the ideal, ``topological only'' situation. In our bulk-insulating quaternary TIs, this effect is local in nature, and permits the writing of arbitrary, micron-sized patterns in the topological energy landscape at the surface. Support from FOM, NWO and the EU is gratefully acknowledged.

  1. Universality of the Hall Conductivity in Interacting Electron Systems

    NASA Astrophysics Data System (ADS)

    Giuliani, Alessandro; Mastropietro, Vieri; Porta, Marcello

    2016-08-01

    We prove the quantization of the Hall conductivity for general weakly interacting gapped fermionic systems on two-dimensional periodic lattices. The proof is based on fermionic cluster expansion techniques combined with lattice Ward identities, and on a reconstruction theorem that allows us to compute the Kubo conductivity as the analytic continuation of its imaginary time counterpart.

  2. An electron-conducting pyrene-fused phenazinothiadiazole.

    PubMed

    Marco, A Belen; Cortizo-Lacalle, Diego; Gozalvez, Cristian; Olano, Mikel; Atxabal, Ainhoa; Sun, Xiangnan; Melle-Franco, Manuel; Hueso, Luis E; Mateo-Alonso, Aurelio

    2015-07-01

    A pyrene-fused phenazinothiadiazole that shows electron mobilities (μe = 0.016 cm(2) V(-1) s(-1)) two orders of magnitude higher than those reported for pyrene-fused pyrazaacenes is described. PMID:26051680

  3. Statistical Properties of Conduction Electrons in an Isolated Metal Nanosphere

    NASA Astrophysics Data System (ADS)

    Datsyuk, Vitaly V.; Ivanytska, Iryna V.

    2013-09-01

    We explore differences between canonical and grand canonical ensembles of 500-2000 free electrons confined in a spherical well with a radius from 1.2 to 2 nm. The averaged occupation numbers of the electronic energy levels and their variances are calculated. For isolated Ag and Au particles, the sum of the variances of all occupation numbers differs from the corresponding bulk-metal value by a factor of 0.005 to 2.

  4. Formation of high conductive nano-crystalline silicon embedded in amorphous silicon-carbide films with large optical band gap

    NASA Astrophysics Data System (ADS)

    Ji, Yang; Shan, Dan; Qian, Mingqing; Xu, Jun; Li, Wei; Chen, Kunji

    2016-10-01

    High conductive phosphorus-doped nano-crystalline Si embedded in Silicon-Carbide (SiC) host matrix (nc-Si:SiC) films were obtained by thermally annealing doped amorphous Si-rich SiC materials. It was found that the room conductivity is increased significantly accompanying with the increase of doping concentrations as well as the enhanced crystallizations. The conductivity can be as high as 630 S/cm for samples with the optical band gap around 2.7 eV, while the carrier mobility is about 17.9 cm2/ V.s. Temperature-dependent conductivity and mobility measurements were performed which suggested that the carrier transport process is strongly affected by both the grain boundaries and the doping concentrations.

  5. Correlation between morphology, electron band structure, and resistivity of Pb atomic chains on the Si(5 5 3)-Au surface.

    PubMed

    Jałochowski, M; Kwapiński, T; Łukasik, P; Nita, P; Kopciuszyński, M

    2016-07-20

    Structural and electron transport properties of multiple Pb atomic chains fabricated on the Si(5 5 3)-Au surface are investigated using scanning tunneling spectroscopy, reflection high electron energy diffraction, angular resolved photoemission electron spectroscopy and in situ electrical resistance. The study shows that Pb atomic chains growth modulates the electron band structure of pristine Si(5 5 3)-Au surface and hence changes its sheet resistivity. Strong correlation between chains morphology, electron band structure and electron transport properties is found. To explain experimental findings a theoretical tight-binding model of multiple atomic chains interacting on effective substrate is proposed.

  6. Banded structures in electron pitch angle diffusion coefficients from resonant wave-particle interactions

    NASA Astrophysics Data System (ADS)

    Tripathi, A. K.; Singhal, R. P.; Khazanov, G. V.; Avanov, L. A.

    2016-04-01

    Electron pitch angle (Dαα) and momentum (Dpp) diffusion coefficients have been calculated due to resonant interactions with electrostatic electron cyclotron harmonic (ECH) and whistler mode chorus waves. Calculations have been performed at two spatial locations L = 4.6 and 6.8 for electron energies ≤10 keV. Landau (n = 0) resonance and cyclotron harmonic resonances n = ±1, ±2, … ±5 have been included in the calculations. It is found that diffusion coefficient versus pitch angle (α) profiles show large dips and oscillations or banded structures. The structures are more pronounced for ECH and lower band chorus (LBC) and particularly at location 4.6. Calculations of diffusion coefficients have also been performed for individual resonances. It is noticed that the main contribution of ECH waves in pitch angle diffusion coefficient is due to resonances n = +1 and n = +2. A major contribution to momentum diffusion coefficients appears from n = +2. However, the banded structures in Dαα and Dpp coefficients appear only in the profile of diffusion coefficients for n = +2. The contribution of other resonances to diffusion coefficients is found to be, in general, quite small or even negligible. For LBC and upper band chorus waves, the banded structures appear only in Landau resonance. The Dpp diffusion coefficient for ECH waves is one to two orders smaller than Dαα coefficients. For chorus waves, Dpp coefficients are about an order of magnitude smaller than Dαα coefficients for the case n ≠ 0. In case of Landau resonance, the values of Dpp coefficient are generally larger than the values of Dαα coefficients particularly at lower energies. As an aid to the interpretation of results, we have also determined the resonant frequencies. For ECH waves, resonant frequencies have been estimated for wave normal angle 89° and harmonic resonances n = +1, +2, and +3, whereas for whistler mode waves, the frequencies have been calculated for angle 10° and Landau

  7. Cloaking core-shell nanoparticles from conducting electrons in solids.

    PubMed

    Liao, Bolin; Zebarjadi, Mona; Esfarjani, Keivan; Chen, Gang

    2012-09-21

    In this Letter, we aim at making nanoparticles embedded in a host semiconductor with a size comparable to electronic wavelengths "invisible" to the electron transport. Inspired by the recent progress made in optics and working within the framework of the expansion of partial waves, we demonstrate that the opposite effects imposed by potential barriers and wells of a core-shell nanoparticle on the phase shifts associated with the scattered electron wave could make the scattering cross section of the first two partial waves vanish simultaneously. We show that this is sufficient to cloak the nanoparticle from being detected by electrons with specific energy in the sense that a total scattering cross section smaller than 0.01% of the physical cross section can be obtained and a 4 orders of magnitude difference in the total scattering cross section can be presented within an energy range of only 40 meV, indicating possible applications of the "electron cloaks" as novel electronic switches and sensors, and in efficient energy harvesting and conversion technologies. PMID:23005976

  8. Cloaking core-shell nanoparticles from conducting electrons in solids.

    PubMed

    Liao, Bolin; Zebarjadi, Mona; Esfarjani, Keivan; Chen, Gang

    2012-09-21

    In this Letter, we aim at making nanoparticles embedded in a host semiconductor with a size comparable to electronic wavelengths "invisible" to the electron transport. Inspired by the recent progress made in optics and working within the framework of the expansion of partial waves, we demonstrate that the opposite effects imposed by potential barriers and wells of a core-shell nanoparticle on the phase shifts associated with the scattered electron wave could make the scattering cross section of the first two partial waves vanish simultaneously. We show that this is sufficient to cloak the nanoparticle from being detected by electrons with specific energy in the sense that a total scattering cross section smaller than 0.01% of the physical cross section can be obtained and a 4 orders of magnitude difference in the total scattering cross section can be presented within an energy range of only 40 meV, indicating possible applications of the "electron cloaks" as novel electronic switches and sensors, and in efficient energy harvesting and conversion technologies.

  9. Mixed ionic and electronic conductivity in polymers. Progress report, January 1, 1990--December 31, 1990

    SciTech Connect

    Shriver, D.F.

    1991-06-01

    New polymer films were synthesized that are mixed ionic-electronic conductors. Preliminary ion transport measurements have been made on these materials in the reduced state where electronic conductivity is negligible. We also have made preliminary measurements of switching times for these materials. Theoretical studies have been performed ion pairing in insulating and electronically conducting films.

  10. 12 CFR 7.5008 - Location of a national bank conducting electronic activities.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 12 Banks and Banking 1 2010-01-01 2010-01-01 false Location of a national bank conducting electronic activities. 7.5008 Section 7.5008 Banks and Banking COMPTROLLER OF THE CURRENCY, DEPARTMENT OF THE TREASURY BANK ACTIVITIES AND OPERATIONS Electronic Activities § 7.5008 Location of a national bank conducting electronic activities. A national...

  11. The hybridizations of cobalt 3 d bands with the electron band structure of the graphene/cobalt interface on a tungsten substrate

    NASA Astrophysics Data System (ADS)

    Hwang, Jinwoong; Hwang, Choongyu; Chung, Nak-Kwan; N'Diaye, A. D.; Schmid, A. K.; Denlinger, Jonathan

    2016-08-01

    The interface between graphene and a ferromagnetic substrate has attracted recent research interests due to its potential for spintronic applications. We report an angle-resolved photoemission spectroscopy study on the interface between graphene and cobalt epitaxially grown on a tungsten substrate. We find that the electron band structure of the interface exhibits clear discontinuities at the crossing points with cobalt 3 d bands. These observations indicate strong hybridizations between the electronic states in the interface and provide an important clue to understand the intriguing electromagnetic properties of the graphene/ferromagnet interface.

  12. Centimeter-long electron transport in marine sediments via conductive minerals.

    PubMed

    Malvankar, Nikhil S; King, Gary M; Lovley, Derek R

    2015-02-01

    Centimeter-long electron conduction through marine sediments, in which electrons derived from sulfide in anoxic sediments are transported to oxygen in surficial sediments, may have an important influence on sediment geochemistry. Filamentous bacteria have been proposed to mediate the electron transport, but the filament conductivity could not be verified and other mechanisms are possible. Surprisingly, previous investigations have never actually measured the sediment conductivity or its basic physical properties. Here we report direct measurements that demonstrate centimeter-long electron flow through marine sediments, with conductivities sufficient to account for previously estimated electron fluxes. Conductivity was lost for oxidized sediments, which contrasts with the previously described increase in the conductivity of microbial biofilms upon oxidation. Adding pyrite to the sediments significantly enhanced the conductivity. These results suggest that the role of conductive minerals, which are more commonly found in sediments than centimeter-long microbial filaments, need to be considered when modeling marine sediment biogeochemistry.

  13. Bipolar doping and band-gap anomalies in delafossite transparent conductive oxides.

    PubMed

    Nie, Xiliang; Wei, Su-Huai; Zhang, S B

    2002-02-11

    Doping wide-gap materials p type is highly desirable but often difficult. This makes the recent discovery of p-type delafossite oxides, CuM(III)O2, very attractive. The CuM(III)O2 also show unique and unexplained physical properties: Increasing band gap from M(III) = Al,Ga, to In, not seen in conventional semiconductors. The largest gap CuInO2 can be mysteriously doped both n and p type but not the smaller gaps CuAlO2 and CuGaO2. Here, we show that both properties are results of a large disparity between the fundamental gap and the apparent optical gap, a finding that could lead to a breakthrough in the study of bipolarly dopable wide-gap semiconductor oxides. PMID:11863832

  14. A New Q-Band EPR Probe for Quantitative Studies of Even Electron Metalloproteins

    NASA Astrophysics Data System (ADS)

    Petasis, D. T.; Hendrich, M. P.

    1999-02-01

    Existing Q-band (35 GHz) EPR spectrometers employ cylindrical cavities for more intense microwave magnetic fields B1, but are so constructed that only one orientation between the external field B and B1is allowed, namely the B ⊥ B1orientation, thus limiting the use of the spectrometer to measurements on Kramers spin systems (odd electron systems). We have designed and built a Q-band microwave probe to detect EPR signals in even electron systems, which operates in the range 2 K ≤ T ≤ 300 K for studies of metalloprotein samples. The cylindrical microwave cavity operates in the TE011mode with cylindrical wall coupling to the waveguide, thus allowing all orientations of the external magnetic field B relative to the microwave field B1. Such orientations allow observation of EPR transitions in non-Kramers ions (even electron) which are either forbidden or significantly weaker for B ⊥ B1. Rotation of the external magnetic field also permits easy differentiation between spin systems from even and odd electron oxidation states. The cavity consists of a metallic helix and thin metallic end walls mounted on epoxy supports, which allows efficient penetration of the modulation field. The first quantitative EPR measurements from a metalloprotein (Hemerythrin) at 35 GHz with B1‖ B are presented.

  15. Electronic structure and conductivity of nanocomposite metal (Au,Ag,Cu,Mo)-containing amorphous carbon films

    SciTech Connect

    Endrino, Jose L.; Horwat, David; Gago, Raul; Andersson, Joakim; Liu, Y.S.; Guo, Jinghua; Anders, Andre

    2008-05-14

    In this work, we study the influence of the incorporation of different metals (Me = Au, Ag, Cu, Mo) on the electronic structure of amorphous carbon (a-C:Me) films. The films were produced at room temperature using a novel pulsed dual-cathode arc deposition technique. Compositional analysis was performed with secondary neutral mass spectroscopy whereas X-ray diffraction was used to identify the formation of metal nanoclusters in the carbon matrix. The metal content incorporated in the nanocomposite films induces a drastic increase in the conductivity, in parallel with a decrease in the band gap corrected from Urbach energy. The electronic structure as a function of the Me content has been monitored by x-ray absorption near edge structure (XANES) at the C K-edge. XANES showed that the C host matrix has a dominant graphitic character and that it is not affected significantly by the incorporation of metal impurities, except for the case of Mo, where the modifications in the lineshape spectra indicated the formation of a carbide phase. Subtle modifications of the spectral lineshape are discussed in terms of nanocomposite formation.

  16. The Role of Electron Carriers for Thermal Conductivity in Super-Earth Planets

    NASA Astrophysics Data System (ADS)

    Wentzcovitch, R. M.; Yuen, D. A.; Umemoto, K.; Allen, P. B.

    2005-12-01

    The recent discovery of an extrsolar planet, with 7.5 times the mass of the Earth, has prompted investigation of a new range of parameter space, 3 times hotter and 10 times higher pressure P than that of the Earth's mantle. We estimate thermal conductivity k(T) of silicates and oxides under these extreme planetary conditions. The radiative portion of k(T) is large above the mid-lower post-perovskite mantle, where T reaches 5000-6000K. This stabilizes large plumes because the temperature derivative of k(T) is positive. At T higher than 5000 K, free electron carriers are thermally activated with the population n(T) increasing as exp(-E*/2kT), where E* is the band gap energy of around 5 eV. Free carriers damp electromagnetic waves at frequencies below the plasma frequency, estimated to be close to 1 eV, shutting down radiative heat transport. We find that thermal electrons are highly mobile, with small effective masses and weak scattering. Therefore, they become dominant carriers of heat. We predict electrical resistivity as low as 1000 micro-ohm cm. The activated exponential T-dependence of k(T) will promote the growth of superplumes in the deep post-perovskite mantle of super-earth planets( van den Berg, Beebe, Yuen, Fall AGU abstract, 2005 )

  17. Dopant controlled trap-filling and conductivity enhancement in an electron-transport polymer

    SciTech Connect

    Higgins, Andrew E-mail: kahn@princeton.edu; Kahn, Antoine E-mail: kahn@princeton.edu; Mohapatra, Swagat K.; Barlow, Stephen; Marder, Seth R.

    2015-04-20

    Charge transport in organic semiconductors is often inhibited by the presence of tail states that extend into the band gap of a material and act as traps for charge carriers. This work demonstrates the passivation of acceptor tail states by solution processing of ultra-low concentrations of a strongly reducing air-stable organometallic dimer, the pentamethylrhodocene dimer, [RhCp*Cp]{sub 2}, into the electron transport polymer poly([N,N′-bis(2-octyldodecyl)-naphthalene-1,4,5,8-bis(dicarboximide) -2,6-diyl]-alt-5,5′-(2,2′-bithiophene)), P(NDI{sub 2}OD-T{sub 2}). Variable-temperature current-voltage measurements of n-doped P(NDI{sub 2}OD-T{sub 2}) are presented with doping concentration varied through two orders of magnitude. Systematic variation of the doping parameter is shown to lower the activation energy for hopping transport and enhance film conductivity and electron mobility.

  18. Analytic band Monte Carlo model for electron transport in Si including acoustic and optical phonon dispersion

    NASA Astrophysics Data System (ADS)

    Pop, Eric; Dutton, Robert W.; Goodson, Kenneth E.

    2004-11-01

    We describe the implementation of a Monte Carlo model for electron transport in silicon. The model uses analytic, nonparabolic electron energy bands, which are computationally efficient and sufficiently accurate for future low-voltage (<1V) nanoscale device applications. The electron-lattice scattering is incorporated using an isotropic, analytic phonon-dispersion model, which distinguishes between the optical/acoustic and the longitudinal/transverse phonon branches. We show that this approach avoids introducing unphysical thresholds in the electron distribution function, and that it has further applications in computing detailed phonon generation spectra from Joule heating. A set of deformation potentials for electron-phonon scattering is introduced and shown to yield accurate transport simulations in bulk silicon across a wide range of electric fields and temperatures. The shear deformation potential is empirically determined at Ξu=6.8eV, and consequently, the isotropically averaged scattering potentials with longitudinal and transverse acoustic phonons are DLA=6.39eV and DTA=3.01eV, respectively, in reasonable agreement with previous studies. The room-temperature electron mobility in strained silicon is also computed and shown to be in better agreement with the most recent phonon-limited data available. As a result, we find that electron coupling with g-type phonons is about 40% lower, and the coupling with f-type phonons is almost twice as strong as previously reported.

  19. Asymmetric band profile of the Soret band of deoxymyoglobin is caused by electronic and vibronic perturbations of the heme group rather than by a doming deformation

    NASA Astrophysics Data System (ADS)

    Schweitzer-Stenner, Reinhard; Gorden, John Paul; Hagarman, Andrew

    2007-10-01

    We measured the Soret band of deoxymyoglobin (deoxyMb), myoglobin cyanide (MbCN), and aquo-metmyoglobin (all from horse heart) with absorption and circular dichroism (CD) spectroscopies. A clear non-coincidence was observed between the absorption and CD profiles of deoxyMb and MbCN, with the CD profiles red- and blueshifted with respect to the absorption band position, respectively. On the contrary, the CD and absorption profiles of aquametMb were nearly identical. The observed noncoincidence indicates a splitting of the excited B state due to heme-protein interactions. CD and absorption profiles of deoxyMb and MbCN were self-consistently analyzed by employing a perturbation approach for weak vibronic coupling as well as the relative intensities and depolarization ratios of seven bands in the respective resonance Raman spectra measured with B-band excitation. The respective By component was found to dominate the observed Cotton effect of both myoglobin derivatives. The different signs of the noncoincidences between CD and absorption bands observed for deoxyMb and MbCN are due to different signs of the respective matrix elements of A1g electronic interstate coupling, which reflects an imbalance of Gouterman's 50:50 states. The splitting of the B band reflects contributions from electronic and vibronic perturbations of B1g symmetry. The results of our analysis suggest that the broad and asymmetric absorption band of deoxyMb results from this band splitting rather than from its dependence on heme doming. Thus, we are able to explain recent findings that the temperature dependences of CO rebinding to myoglobin and the Soret band profile are uncorrelated[Ormos et al., Proc. Natl. Acad. Sci U.S.A. 95, 6762 (1998)].

  20. Disordered electronic systems: Concentration dependence of the dc conductivity in amorphous transition-metal-metalloid alloys (metallic regime)

    NASA Astrophysics Data System (ADS)

    Sonntag, Joachim

    1989-08-01

    In the metallic regime of several a-N1-xMx and a-T1-xMx alloys, the concentration dependence of the electrical resistivity ρ can be approximated by dlnρ=α*dξ, where α* is constant for a given alloy and ξ=x/(1-x). $N- and -T- stand for a transition metal with completely and incompletely occupied d bands, respectively, and M stands for a metalloid element. If, in the alloy, phase separation is realized, there is electron redistribution between the two phases A and B. For a-N1-xMx alloys this can be described by -dn=βndζ with ζ=XB/XA, where n is the electron density in the conduction band (CB) formed by the A phase. XA and XB are the fractions of the A and B phases having the average concentrations xA and xB, respectively. β depends on the average potential difference between the A and B phases. B is the phase with the deeper average potential. Part of the electrons in the B phase occupies the valence band (VB) formed by the B phase. Another part occupies trap states (as far as available below EF), leading to electron localization. The electron redistribution leads to long-range electron-density fluctuations expressed by δn=(1+ζ-1)(n0-n) n0 is the total s and p valence-electron concentration. Under certain conditions both CB and VB can contribute to the electronic transport. -dn=βn dζ is expected to apply also to a-T1-xMx alloys, where the electron redistribution can enclose part of the d electrons as well. Positive Hall coefficients are expected, when both the VB has ``hole'' conductivity, and this contribution dominates compared with those of the CB. Activation of electrons from the B to the A phase with increasing temperature can lead to a negative temperature coefficient of ρ.

  1. Electronic band structure effects in monolayer, bilayer, and hybrid graphene structures

    NASA Astrophysics Data System (ADS)

    Puls, Conor

    Since its discovery in 2005, graphene has been the focus of intense theoretical and experimental study owing to its unique two-dimensional band structure and related electronic properties. In this thesis, we explore the electronic properties of graphene structures from several perspectives including the magnetoelectrical transport properties of monolayer graphene, gap engineering and measurements in bilayer graphene, and anomalous quantum oscillation in the monolayer-bilayer graphene hybrids. We also explored the device implications of our findings, and the application of some experimental techniques developed for the graphene work to the study of a complex oxide, Ca3Ru2O7, exhibiting properties of strongly correlated electrons. Graphene's high mobility and ballistic transport over device length scales, make it suitable for numerous applications. However, two big challenges remain in the way: maintaining high mobility in fabricated devices, and engineering a band gap to make graphene compatible with logical electronics and various optical devices. We address the first challenge by experimentally evaluating mobilities in scalable monolayer graphene-based field effect transistors (FETs) and dielectric-covered Hall bars. We find that the mobility is limited in these devices, and is roughly inversely proportional to doping. By considering interaction of graphene's Dirac fermions with local charged impurities at the interface between graphene and the top-gate dielectric, we find that Coulomb scattering is responsible for degraded mobility. Even in the cleanest devices, a band gap is still desirable for electronic applications of graphene. We address this challenge by probing the band structure of bilayer graphene, in which a field-tunable energy band gap has been theoretically proposed. We use planar tunneling spectroscopy of exfoliated bilayer graphene flakes demonstrate both measurement and control of the energy band gap. We find that both the Fermi level and

  2. Electronic and thermoelectric properties of van der Waals materials with ring-shaped valence bands

    SciTech Connect

    Wickramaratne, Darshana E-mail: rlake@ece.ucr.edu; Lake, Roger K. E-mail: rlake@ece.ucr.edu; Zahid, Ferdows

    2015-08-21

    The valence band of a variety of few-layer, two-dimensional materials consist of a ring of states in the Brillouin zone. The energy-momentum relation has the form of a “Mexican hat” or a Rashba dispersion. The two-dimensional density of states is singular at or near the band edge, and the band-edge density of modes turns on nearly abruptly as a step function. The large band-edge density of modes enhances the Seebeck coefficient, the power factor, and the thermoelectric figure of merit ZT. Electronic and thermoelectric properties are determined from ab initio calculations for few-layer III–VI materials GaS, GaSe, InS, InSe, for Bi{sub 2}Se{sub 3}, for monolayer Bi, and for bilayer graphene as a function of vertical field. The effect of interlayer coupling on these properties in few-layer III–VI materials and Bi{sub 2}Se{sub 3} is described. Analytical models provide insight into the layer dependent trends that are relatively consistent for all of these few-layer materials. Vertically biased bilayer graphene could serve as an experimental test-bed for measuring these effects.

  3. Probing radiation damage by alternated current conductivity as a method to characterize electron hopping conduction in DNA molecules

    NASA Astrophysics Data System (ADS)

    Gomes, Paulo J.; Coelho, Margarida; Dionísio, Madalena; António Ribeiro, Paulo; Raposo, Maria

    2012-09-01

    Analysis of AC electrical conductivity of deoxyribonucleic acid (DNA) thin films, irradiated with ultraviolet (UV) light, revealed that electrical conduction arises from DNA chain electron hopping between base-pairs and phosphate groups. The hopping distance calculated from correlated barrier hopping model equals the distance between DNA base-pairs, which is consistent with the loss of conductivity with irradiation time arising from a decrease in phosphates groups. In the high frequency regime, at a given frequency, real part of conductivity strongly depends on irradiation time particularly for low dose levels suggesting the use of DNA based films for UV radiation sensors.

  4. Probing radiation damage by alternated current conductivity as a method to characterize electron hopping conduction in DNA molecules

    SciTech Connect

    Gomes, Paulo J.; Coelho, Margarida; Antonio Ribeiro, Paulo; Raposo, Maria; Dionisio, Madalena

    2012-09-17

    Analysis of AC electrical conductivity of deoxyribonucleic acid (DNA) thin films, irradiated with ultraviolet (UV) light, revealed that electrical conduction arises from DNA chain electron hopping between base-pairs and phosphate groups. The hopping distance calculated from correlated barrier hopping model equals the distance between DNA base-pairs, which is consistent with the loss of conductivity with irradiation time arising from a decrease in phosphates groups. In the high frequency regime, at a given frequency, real part of conductivity strongly depends on irradiation time particularly for low dose levels suggesting the use of DNA based films for UV radiation sensors.

  5. Generation of Intense Narrow-Band Tunable Terahertz Radiation from Highly Bunched Electron Pulse Train

    NASA Astrophysics Data System (ADS)

    Li, Heting; Lu, Yalin; He, Zhigang; Jia, Qika; Wang, Lin

    2016-07-01

    We present the analysis and start-to-end simulation of an intense narrow-band terahertz (THz) source with a broad tuning range of radiation frequency, using a single-pass free electron laser (FEL) driven by a THz-pulse-train photoinjector. The fundamental radiation frequency, corresponding to the spacing between the electron microbunches, can be easily tuned by varying the spacing time between the laser micropulses. Since the prebunched electron beam is highly bunched at the first several harmonics, with the harmonic generation technique, the radiation frequency range can be further enlarged by several times. The start-to-end simulation results show that this FEL is capable of generating a few tens megawatts power, several tens micro-joules pulse energy, and a few percent bandwidth at the frequencies of 0.5-5 THz. In addition, several practical issues are considered.

  6. Conductivity and optical band gaps of polyethylene oxide doped with Li{sub 2}SO{sub 4} salt

    SciTech Connect

    Chapi, Sharanappa Raghu, S. Subramanya, K. Archana, K. Mini, V. Devendrappa, H.

    2014-04-24

    The conductivity and optical properties of Li{sub 2}SO{sub 4} doped polyethylene oxide (PEO) films were studied. The polymer electrolyte films are prepared using solution casting technique. The material phase change was confirmed by X-ray diffraction (XRD) technique. Optical absorption study was conducted using UV- Vis. Spectroscopy in the wavelength range 190–1100nm on pure and doped PEO films. The direct and indirect optical band gaps were found decreased from 5.81–4.51eV and 4.84–3.43eV respectively with increasing the Li{sub 2}SO{sub 4}. The conductivity found to increases with increasing the dopant concentration due to strong hopping mechanism at room temperature.

  7. Electronically conductive polymer binder for lithium-ion battery electrode

    SciTech Connect

    Liu, Gao; Xun, Shidi; Battaglia, Vincent S; Zheng, Honghe

    2014-10-07

    A family of carboxylic acid group containing fluorene/fluorenon copolymers is disclosed as binders of silicon particles in the fabrication of negative electrodes for use with lithium ion batteries. These binders enable the use of silicon as an electrode material as they significantly improve the cycle-ability of silicon by preventing electrode degradation over time. In particular, these polymers, which become conductive on first charge, bind to the silicon particles of the electrode, are flexible so as to better accommodate the expansion and contraction of the electrode during charge/discharge, and being conductive promote the flow battery current.

  8. Optical and electronic properties of delafossite CuBO{sub 2}p-type transparent conducting oxide

    SciTech Connect

    Ruttanapun, Chesta E-mail: krchesta@kmitl.ac.th

    2013-09-21

    CuBO{sub 2} delafossite was prepared by solid state reaction and calcined/sintered at 1005 °C. The optical properties of this p-type transparent conducting oxide were investigated. Its crystal structure, morphology, composition, oxygen decomposition, and optical and electronic properties were characterized by X-ray diffraction, scanning electron microscopy, X-ray photoelectron spectroscopy, thermal gravimetric analysis (TGA), ultraviolet-visible-near-infrared (UV-VIS-NIR) and fluorescence spectroscopies, Seebeck coefficient, and electrical conductivity measurements. CuBO{sub 2} delafossite possesses a hexagonal space group R3{sup ¯}m. TGA indicated a weight loss of 10%, which was attributed to excess oxygen. The positive Seebeck coefficient confirmed p-type behavior. Emission at 355 nm indicated a direct band type transition, and the UV-VIS-NIR spectrum indicated an optical direct gap of 3.6 eV. Activation energies for carrier production and electrical conduction were 0.147 and 0.58 eV, respectively, indicating the thermal activation of carriers. CuBO{sub 2} delafossite is a p-type transparent conducting oxide with a wide band gap and may have potential in industrial p-type electrodes.

  9. The Connoisseurship of Conducting: A Qualitative Study of Exemplary Wind Band Conductors

    ERIC Educational Resources Information Center

    Barry, Nancy; Henry, Daniel

    2015-01-01

    This study aimed to gain an in-depth perspective through examining how the conducting pedagogy of three selected exemplary high school and college instrumental music conductors function within the context of an actual rehearsal. A typical rehearsal was video recorded, followed by a "think-aloud" session in which the conductor viewed the…

  10. Band structure and electron-phonon coupling in H3S : A tight-binding model

    NASA Astrophysics Data System (ADS)

    Ortenzi, L.; Cappelluti, E.; Pietronero, L.

    2016-08-01

    We present a robust tight-binding description, based on the Slater-Koster formalism, of the band structure of H3S in the Im3 ¯m structure, stable in the range of pressure P =180 -220 GPa. We show that the interatomic hopping between the 3 s and 3 p orbitals (and partially between the 3 p orbitals themselves) of sulfur is fundamental to capturing the relevant physics associated with the Van Hove singularities close to the Fermi level. Comparing the model so defined with density functional theory calculations we obtain a very good agreement not only of the overall band structure but also of the low-energy states and the Fermi surface properties. The description in terms of Slater-Koster parameters permits us also to evaluate at a microscopic level a hopping-resolved linear electron-lattice coupling which can be employed for further tight-binding analyses also at a local scale.

  11. Ferromagnetism and the electronic band structure in (Ga,Mn)(Bi,As) epitaxial layers

    NASA Astrophysics Data System (ADS)

    Yastrubchak, O.; Sadowski, J.; Gluba, L.; Domagala, J. Z.; Rawski, M.; Żuk, J.; Kulik, M.; Andrearczyk, T.; Wosinski, T.

    2014-08-01

    Impact of Bi incorporation into (Ga,Mn)As layers on their electronic- and band-structures as well as their magnetic and structural properties has been studied. Homogenous (Ga,Mn)(Bi,As) layers of high structural perfection have been grown by the low-temperature molecular-beam epitaxy technique. Post-growth annealing treatment of the layers results in an improvement of their structural and magnetic properties and an increase in the hole concentration in the layers. The modulation photoreflectance spectroscopy results are consistent with the valence-band model of hole-mediated ferromagnetism in the layers. This material combines the properties of (Ga,Mn)As and Ga(Bi,As) ternary compounds and offers the possibility of tuning its electrical and magnetic properties by controlling the alloy composition.

  12. Electronic Properties of ZnO: Band Structure and Directional Compton Profiles

    NASA Astrophysics Data System (ADS)

    Sharma, G.; Mishra, M. C.; Dhaka, M. S.; Kothari, R. K.; Joshi, K. B.; Sharma, B. K.

    2013-12-01

    The electronic band structure and directional Compton profiles (DCPs) of ZnO are studied in this work. Calculations are performed considering a set of three schemes based on density functional theory (DFT), the Hartree-Fock (HF) method, and a hybrid scheme. All band structures predict direct bandgaps. The best agreement with experiment is, however, shown by the hybrid scheme. The three schemes are also applied to compute DCPs along [100], [110], and [001] directions. These are compared with measurements made on single crystals of ZnO employing a 59.54 keV gamma-ray Compton spectrometer. Calculations overestimate the momentum density in the low-momentum region while underestimate the anisotropies. Positions of extremes in anisotropies deduced from calculations are well reproduced by the measured anisotropies in some cases. Within the experimental limits, the DCPs from the HF method are in better agreement with the measurements compared with DFT.

  13. Ferromagnetism and the electronic band structure in (Ga,Mn)(Bi,As) epitaxial layers

    SciTech Connect

    Yastrubchak, O.; Sadowski, J.; Domagala, J. Z.; Andrearczyk, T.; Wosinski, T.

    2014-08-18

    Impact of Bi incorporation into (Ga,Mn)As layers on their electronic- and band-structures as well as their magnetic and structural properties has been studied. Homogenous (Ga,Mn)(Bi,As) layers of high structural perfection have been grown by the low-temperature molecular-beam epitaxy technique. Post-growth annealing treatment of the layers results in an improvement of their structural and magnetic properties and an increase in the hole concentration in the layers. The modulation photoreflectance spectroscopy results are consistent with the valence-band model of hole-mediated ferromagnetism in the layers. This material combines the properties of (Ga,Mn)As and Ga(Bi,As) ternary compounds and offers the possibility of tuning its electrical and magnetic properties by controlling the alloy composition.

  14. Prediction of a large number of electron pockets near the band edges in type-VIII clathrate Si46 and its physical properties from first principles

    NASA Astrophysics Data System (ADS)

    Norouzzadeh, Payam; Myles, Charles W.; Vashaee, Daryoosh

    2013-11-01

    The material design of type-VIII clathrate Si46 is presented based on first principles. The structural, electronic, elastic, vibrational, and thermodynamic properties of this hypothetical material are presented. Our results predict that type-VIII clathrate Si46 is an indirect semiconductor with a bandgap of 1.24 eV. The band structure revealed an interestingly large number of electron pockets near both conduction and valance band edges. Such a large density of states near the band edges, which is higher than that of the best thermoelectric materials discovered so far, can result in a large thermoelectric power factor (>0.004 W m-1 K-2) making it a promising candidate for thermoelectric applications. The elastic properties as well as the vibrational modes and the phonon state densities of this material were also calculated. Our calculations predict that the heat capacity at constant volume (isochoric) of this clathrate increases smoothly with temperature and approaches the Dulong-Petit value near room temperature. The electronic band structure shows a large number of valleys closely packed around the valance band edge, which is rare among the known semiconducting materials. These valleys can contribute to transport at high temperature resulting in a possibly high performance (ZT > 1.5) p-type thermoelectric material.

  15. Isolated energy level in the band gap of Yb2Si2O7 identified by electron energy-loss spectroscopy

    NASA Astrophysics Data System (ADS)

    Ogawa, Takafumi; Kobayashi, Shunsuke; Wada, Masashi; Fisher, Craig A. J.; Kuwabara, Akihide; Kato, Takeharu; Yoshiya, Masato; Kitaoka, Satoshi; Moriwake, Hiroki

    2016-05-01

    We report the detection of an isolated energy level in the band gap of crystalline Yb2Si2O7 in the low-energy-loss region of its electron energy-loss (EEL) spectrum, obtained using a monochromated scanning transmission electron microscope. The experimental results are corroborated by first-principles calculations of the theoretical EEL spectrum. The calculations reveal that unoccupied Yb 4 f orbitals constitute an isolated energy level about 1 eV below the conduction band minimum (CBM), resulting in a terrace about 1 eV wide at the band edge of the EEL spectrum. In the case of Yb2O3 , no band edge terrace is present because the unoccupied f level lies just below the CBM. We also examined optical absorption properties of Yb2Si2O7 using UV-vis diffuse reflectance spectroscopy, which shows that the isolated energy level could not be detected in the band edge of the obtained absorbance spectrum. These findings demonstrate the utility of low-loss EEL spectroscopy with high energy resolution for probing semilocalized electronic features.

  16. Determining the band gap and mean kinetic energy of atoms from reflection electron energy loss spectra

    SciTech Connect

    Vos, M.; Marmitt, G. G.; Finkelstein, Y.; Moreh, R.

    2015-09-14

    Reflection electron energy loss spectra from some insulating materials (CaCO{sub 3}, Li{sub 2}CO{sub 3}, and SiO{sub 2}) taken at relatively high incoming electron energies (5–40 keV) are analyzed. Here, one is bulk sensitive and a well-defined onset of inelastic excitations is observed from which one can infer the value of the band gap. An estimate of the band gap was obtained by fitting the spectra with a procedure that includes the recoil shift and recoil broadening affecting these measurements. The width of the elastic peak is directly connected to the mean kinetic energy of the atom in the material (Doppler broadening). The experimentally obtained mean kinetic energies of the O, C, Li, Ca, and Si atoms are compared with the calculated ones, and good agreement is found, especially if the effect of multiple scattering is taken into account. It is demonstrated experimentally that the onset of the inelastic excitation is also affected by Doppler broadening. Aided by this understanding, we can obtain a good fit of the elastic peak and the onset of inelastic excitations. For SiO{sub 2}, good agreement is obtained with the well-established value of the band gap (8.9 eV) only if it is assumed that the intensity near the edge scales as (E − E{sub gap}){sup 1.5}. For CaCO{sub 3}, the band gap obtained here (7 eV) is about 1 eV larger than the previous experimental value, whereas the value for Li{sub 2}CO{sub 3} (7.5 eV) is the first experimental estimate.

  17. Determining the band gap and mean kinetic energy of atoms from reflection electron energy loss spectra.

    PubMed

    Vos, M; Marmitt, G G; Finkelstein, Y; Moreh, R

    2015-09-14

    Reflection electron energy loss spectra from some insulating materials (CaCO3, Li2CO3, and SiO2) taken at relatively high incoming electron energies (5-40 keV) are analyzed. Here, one is bulk sensitive and a well-defined onset of inelastic excitations is observed from which one can infer the value of the band gap. An estimate of the band gap was obtained by fitting the spectra with a procedure that includes the recoil shift and recoil broadening affecting these measurements. The width of the elastic peak is directly connected to the mean kinetic energy of the atom in the material (Doppler broadening). The experimentally obtained mean kinetic energies of the O, C, Li, Ca, and Si atoms are compared with the calculated ones, and good agreement is found, especially if the effect of multiple scattering is taken into account. It is demonstrated experimentally that the onset of the inelastic excitation is also affected by Doppler broadening. Aided by this understanding, we can obtain a good fit of the elastic peak and the onset of inelastic excitations. For SiO2, good agreement is obtained with the well-established value of the band gap (8.9 eV) only if it is assumed that the intensity near the edge scales as (E - Egap)(1.5). For CaCO3, the band gap obtained here (7 eV) is about 1 eV larger than the previous experimental value, whereas the value for Li2CO3 (7.5 eV) is the first experimental estimate.

  18. Renormalization of spin polarised itinerant electron bands in the normal state of a model ferromagnetic superconductor

    NASA Astrophysics Data System (ADS)

    Ma, Lei; Huang, Ai-Qun; Li, Jun

    2011-03-01

    This paper studies the normal state properties of itinerant electrons in a toy model, which is constructed according to the model for coexisting ferromagnetism and superconductivity proposed by Suhl [Suhl H 2001 Phys. Rev. Lett. 87 167007]. In this theory with ferromagnetic ordering based on localized spins, the exchange interaction J between conduction electrons and localized spin is taken as the pairing glue for s-wave superconductivity. It shows that this J term will first renormalize the normal state single conduction electron structures substantially. It finds dramatically enhanced or suppressed magnetization of itinerant electrons for positive or negative J. Singlet Cooper pairing can be ruled out due to strong spin polarisation in the J > 0 case while a narrow window for s-wave superconductivity is opened around some ferromagnetic J. Project supported by the National Natural Science Foundation of China (Grant No. 10574063).

  19. Implementation of electronic crosstalk correction for terra MODIS PV LWIR bands

    NASA Astrophysics Data System (ADS)

    Geng, Xu; Madhavan, Sriharsha; Chen, Na; Xiong, Xiaoxiong

    2015-09-01

    The MODerate-resolution Imaging Spectroradiometer (MODIS) is one of the primary instruments in the fleet of NASA's Earth Observing Systems (EOS) in space. Terra MODIS has completed 15 years of operation far exceeding its design lifetime of 6 years. The MODIS Level 1B (L1B) processing is the first in the process chain for deriving various higher level science products. These products are used mainly in understanding the geophysical changes occurring in the Earth's land, ocean, and atmosphere. The L1B code is designed to carefully calibrate the responses of all the detectors of the 36 spectral bands of MODIS and provide accurate L1B radiances (also reflectances in the case of Reflective Solar Bands). To fulfill this purpose, Look Up Tables (LUTs), that contain calibration coefficients derived from both on-board calibrators and Earth-view characterized responses, are used in the L1B processing. In this paper, we present the implementation mechanism of the electronic crosstalk correction in the Photo Voltaic (PV) Long Wave InfraRed (LWIR) bands (Bands 27-30). The crosstalk correction involves two vital components. First, a crosstalk correction modular is implemented in the L1B code to correct the on-board Blackbody and Earth-View (EV) digital number (dn) responses using a linear correction model. Second, the correction coefficients, derived from the EV observations, are supplied in the form of LUTs. Further, the LUTs contain time stamps reflecting to the change in the coefficients assessed using the Noise Equivalent difference Temperature (NEdT) trending. With the algorithms applied in the MODIS L1B processing it is demonstrated that these corrections indeed restore the radiometric balance for each of the affected bands and substantially reduce the striping noise in the processed images.

  20. Electronically conductive polymer binder for lithium-ion battery electrode

    SciTech Connect

    Liu, Gao; Battaglia, Vincent S.; Park, Sang -Jae

    2015-10-06

    A family of carboxylic acid groups containing fluorene/fluorenon copolymers is disclosed as binders of silicon particles in the fabrication of negative electrodes for use with lithium ion batteries. Triethyleneoxide side chains provide improved adhesion to materials such as, graphite, silicon, silicon alloy, tin, tin alloy. These binders enable the use of silicon as an electrode material as they significantly improve the cycle-ability of silicon by preventing electrode degradation over time. In particular, these polymers, which become conductive on first charge, bind to the silicon particles of the electrode, are flexible so as to better accommodate the expansion and contraction of the electrode during charge/discharge, and being conductive promote the flow battery current.

  1. Electronically conductive polymer binder for lithium-ion battery electrode

    SciTech Connect

    Liu, Gao; Xun, Shidi; Battaglia, Vincent S.; Zheng, Honghe; Wu, Mingyan

    2015-07-07

    A family of carboxylic acid groups containing fluorene/fluorenon copolymers is disclosed as binders of silicon particles in the fabrication of negative electrodes for use with lithium ion batteries. Triethyleneoxide side chains provide improved adhesion to materials such as, graphite, silicon, silicon alloy, tin, tin alloy. These binders enable the use of silicon as an electrode material as they significantly improve the cycle-ability of silicon by preventing electrode degradation over time. In particular, these polymers, which become conductive on first charge, bind to the silicon particles of the electrode, are flexible so as to better accommodate the expansion and contraction of the electrode during charge/discharge, and being conductive promote the flow battery current.

  2. Electron momentum density, band structure, and structural properties of SrS

    SciTech Connect

    Sharma, G.; Munjal, N.; Vyas, V.; Kumar, R.; Sharma, B. K.; Joshi, K. B.

    2013-10-15

    The electron momentum density, the electronic band structure, and the structural properties of SrS are presented in this paper. The isotropic Compton profile, anisotropies in the directional Compton profiles, the electronic band structure and density of states are calculated using the ab initio periodic linear combination of atomic orbitals method with the CRYSTAL06 code. Structural parameters of SrS-lattice constants and bulk moduli in the B1 and B2 phases-are computed together with the transition pressure. The computed parameters are well in agreement with earlier investigations. To compare the calculated isotropic Compton profile, measurement on polycrystalline SrS is performed using 5Ci-{sup 241}Am Compton spectrometer. Additionally, charge transfer is studied by means of the Compton profiles computed from the ionic model. The nature of bonding in the isovalent SrS and SrO compounds is compared on the basis of equal-valenceelectron-density profiles and the bonding in SrS is found to be more covalent than in SrO.

  3. X-Band Microwave Undulators for Short Wavelength Free-Electron Lasers

    NASA Astrophysics Data System (ADS)

    Pellegrini, C.

    2006-01-01

    Microwave undulators have two features that make them attractive to use in free-electron lasers, when compared with conventional static magnetic undulators. One is that the beam aperture is larger than the period, and thus the undulator period is smaller than that achievable with static systems. The second is the possibility of easily producing both circular and planar polarization and dynamically controlling the polarization characteristic and the undulator field intensity. The recent development of high power klystrons and pulse compression techniques at X-band frequency, near 12 GHz, is making this type of undulators very attractive for use in short wavelength free-electron lasers operating in the few nanometers to the Ångstrom spectral region. In this paper we discuss the choice of parameters for X-band microwave undulators, the effect of microwave energy losses in the waveguide walls and its possible compensation by tapering the waveguide geometry, and the characteristics of free-electron lasers based on these systems.

  4. Mixed-ionic and electronic conductivity in polymers

    SciTech Connect

    Ratner, M.A.; Shriver, D.F.

    1991-01-01

    The aim in this portion of the research is to prepare new electroactive films with high ion mobility, and to characterize the transport properties of these materials. The classic conducting polymers, polyacetylene, polythiophene, and polypyrrole have dense structures that prevent rapid redox switching because of the low diffusivity of ions. The objective is to modify the last two polymers with pendant polyethers, which should greatly improve ion transport.

  5. 41 CFR 101-26.508 - Electronic data processing (EDP) tape and instrumentation tape (wide and intermediate band).

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... processing (EDP) tape and instrumentation tape (wide and intermediate band). 101-26.508 Section 101-26.508... Programs § 101-26.508 Electronic data processing (EDP) tape and instrumentation tape (wide and intermediate band). Procurement by Federal agencies of EDP tape and instrumentation tape (wide and intermediate...

  6. Photon-induced positron annihilation lifetime spectroscopy using an S-band compact electron linac

    NASA Astrophysics Data System (ADS)

    Taira, Y.; Kuroda, R.; Tanaka, M.; Kumaki, M.; Oshima, N.; O'Rourke, B. E.; Suzuki, R.; Toyokawa, H.

    2014-02-01

    A new photon-induced positron annihilation lifetime spectroscopy approach has been developed using an S-band compact electron linac at the National Institute of Advanced Industrial Science and Technology (AIST). The high energy (<42MeV), intense (105 photons pulse-1), and ultra-short pulse (3 ps pulse width) photon beam creates positrons throughout an entire sample via pair production. A positron lifetime spectrum can be obtained by measuring the time difference between the accelerator's RF frequency and the detection time of the annihilation gamma rays. The positron lifetimes for lead and yttria-stabilized zirconia samples have been successfully measured.

  7. Electronic band structure imaging of three layer twisted graphene on single crystal Cu(111)

    SciTech Connect

    Marquez Velasco, J.; Kelaidis, N.; Xenogiannopoulou, E.; Tsoutsou, D.; Tsipas, P.; Speliotis, Th.; Pilatos, G.; Likodimos, V.; Falaras, P.; Dimoulas, A.; Raptis, Y. S.

    2013-11-18

    Few layer graphene (FLG) is grown on single crystal Cu(111) by Chemical Vapor Deposition, and the electronic valence band structure is imaged by Angle-Resolved Photo-Emission Spectroscopy. It is found that graphene essentially grows polycrystalline. Three nearly ideal Dirac cones are observed along the Cu Γ{sup ¯}K{sup ¯} direction in k-space, attributed to the presence of ∼4° twisted three layer graphene with negligible interlayer coupling. The number of layers and the stacking order are compatible with Raman data analysis demonstrating the complementarity of the two techniques for a more accurate characterization of FLG.

  8. First principles electronic band structure and phonon dispersion curves for zinc blend beryllium chalcogenide

    SciTech Connect

    Dabhi, Shweta Mankad, Venu Jha, Prafulla K.

    2014-04-24

    A detailed theoretical study of structural, electronic and Vibrational properties of BeX compound is presented by performing ab-initio calculations based on density-functional theory using the Espresso package. The calculated value of lattice constant and bulk modulus are compared with the available experimental and other theoretical data and agree reasonably well. BeX (X = S,Se,Te) compounds in the ZB phase are indirect wide band gap semiconductors with an ionic contribution. The phonon dispersion curves are represented which shows that these compounds are dynamically stable in ZB phase.

  9. Two-temperature models of old supernova remnants with ion and electron thermal conduction

    NASA Technical Reports Server (NTRS)

    Cui, Wei; Cox, Donald P.

    1992-01-01

    To investigate the potential effects thermal conduction may have on the evolution of old supernova remnants, we present the results of 1D (spherically symmetric) numerical simulations of a remnant in a homogeneous interstellar medium for four different cases: (1) without thermal conduction; (2) with both electron and ion thermal conduction assuming equal temperatures; (3) with electron thermal conduction only, following electron and ion temperatures separately; and (4) with both electron and ion thermal conduction following separate temperatures. We followed the entire evolution until the completion of the remnant bubble collapse. Our most significant result is that in remnant evolution studies concerned principally with either the shell or bubble evolution at late times, reasonable results are obtained with single-temperature models. When the electron and ion temperatures are followed separately, however, ion thermal conduction cannot safely be ignored.

  10. Soft capacitor fibers using conductive polymers for electronic textiles

    NASA Astrophysics Data System (ADS)

    Gu, Jian Feng; Gorgutsa, Stephan; Skorobogatiy, Maksim

    2010-11-01

    A novel, highly flexible, conductive polymer-based fiber with high electric capacitance is reported. In its cross section the fiber features a periodic sequence of hundreds of conductive and isolating plastic layers positioned around metallic electrodes. The fiber is fabricated using the fiber drawing method, where a multi-material macroscopic preform is drawn into a sub-millimeter capacitor fiber in a single fabrication step. Several kilometers of fibers can be obtained from a single preform with fiber diameters ranging between 500 and 1000 µm. A typical measured capacitance of our fibers is 60-100 nF m-1 and it is independent of the fiber diameter. Analysis of the fiber frequency response shows that in its simplest interrogation mode the capacitor fiber has a transverse resistance of 5 kΩ m L-1, which is inversely proportional to the fiber length L and is independent of the fiber diameter. Softness of the fiber materials, the absence of liquid electrolyte in the fiber structure, ease of scalability to large production volumes and high capacitance of our fibers make them interesting for various smart textile applications ranging from distributed sensing to energy storage.

  11. Ethical considerations in the conduct of electronic surveillance research.

    PubMed

    Bharucha, Ashok J; London, Alex John; Barnard, David; Wactlar, Howard; Dew, Mary Amanda; Reynolds, Charles F

    2006-01-01

    The extant clinical literature indicates profound problems in the assessment, monitoring, and documentation of care in long-term care facilities. The lack of adequate resources to accommodate higher staff-to-resident ratios adds additional urgency to the goal of identifying more cost-effective mechanisms to provide care oversight. The ever expanding array of electronic monitoring technologies in the clinical research arena demands a conceptual and pragmatic framework for the resolution of ethical tensions inherent in the use of such innovative tools. CareMedia is a project that explores the utility of video, audio and sensor technologies as a continuous real-time assessment and outcomes measurement tool. In this paper, the authors describe the seminal ethical challenges encountered during the implementation phase of this project, namely privacy and confidentiality protection, and the strategies employed to resolve the ethical tensions by applying principles of the interest theory of rights. PMID:17144185

  12. Electronic structure, conductivity and superconductivity of metal doped C60

    SciTech Connect

    Haddon, R.C.

    1993-12-31

    The curvature and topology required for fullerene formation strongly enhances the electronegativity of the carbon clusters and as a result C60 readily accepts electrons. Solid C60 undergoes doping with a variety of metals to produce intercalation compounds which are conductors. In the case of the alkali metals the predominant phases present are: C60, A3C60, and A6C60. The A3C60 compounds are formed from C60 by occupancy of the interstitial sites of the fcc lattice. These phases constitute the first 3-dimensional organic conductors and for A=K, Rb the A3C60 compounds are superconductors with transition temperatures of Tc=19 and 28K, respectively. There is evidence to suggest that the superconductivity in these systems is driven by the intramolecular vibrations of the reduced C60 molecule. Recent experiments on a variety of metal doped C60 thin films will be presented.

  13. Energy band alignment and electronic states of amorphous carbon surfaces in vacuo and in aqueous environment

    SciTech Connect

    Caro, Miguel A.; Määttä, Jukka; Lopez-Acevedo, Olga; Laurila, Tomi

    2015-01-21

    In this paper, we obtain the energy band positions of amorphous carbon (a–C) surfaces in vacuum and in aqueous environment. The calculations are performed using a combination of (i) classical molecular dynamics (MD), (ii) Kohn-Sham density functional theory with the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional, and (iii) the screened-exchange hybrid functional of Heyd, Scuseria, and Ernzerhof (HSE). PBE allows an accurate generation of a-C and the evaluation of the local electrostatic potential in the a-C/water system, HSE yields an improved description of energetic positions which is critical in this case, and classical MD enables a computationally affordable description of water. Our explicit calculation shows that, both in vacuo and in aqueous environment, the a-C electronic states available in the region comprised between the H{sub 2}/H{sub 2}O and O{sub 2}/H{sub 2}O levels of water correspond to both occupied and unoccupied states within the a-C pseudogap region. These are localized states associated to sp{sup 2} sites in a-C. The band realignment induces a shift of approximately 300 meV of the a-C energy band positions with respect to the redox levels of water.

  14. Electronic band-gap modified passive silicon optical modulator at telecommunications wavelengths.

    PubMed

    Zhang, Rui; Yu, Haohai; Zhang, Huaijin; Liu, Xiangdong; Lu, Qingming; Wang, Jiyang

    2015-01-01

    The silicon optical modulator is considered to be the workhorse of a revolution in communications. In recent years, the capabilities of externally driven active silicon optical modulators have dramatically improved. Self-driven passive modulators, especially passive silicon modulators, possess advantages in compactness, integration, low-cost, etc. Constrained by a large indirect band-gap and sensitivity-related loss, the passive silicon optical modulator is scarce and has been not advancing, especially at telecommunications wavelengths. Here, a passive silicon optical modulator is fabricated by introducing an impurity band in the electronic band-gap, and its nonlinear optics and applications in the telecommunications-wavelength lasers are investigated. The saturable absorption properties at the wavelength of 1.55 μm was measured and indicates that the sample is quite sensitive to light intensity and has negligible absorption loss. With a passive silicon modulator, pulsed lasers were constructed at wavelengths at 1.34 and 1.42 μm. It is concluded that the sensitive self-driven passive silicon optical modulator is a viable candidate for photonics applications out to 2.5 μm.

  15. Energy band alignment and electronic states of amorphous carbon surfaces in vacuo and in aqueous environment

    NASA Astrophysics Data System (ADS)

    Caro, Miguel A.; Määttä, Jukka; Lopez-Acevedo, Olga; Laurila, Tomi

    2015-01-01

    In this paper, we obtain the energy band positions of amorphous carbon (a-C) surfaces in vacuum and in aqueous environment. The calculations are performed using a combination of (i) classical molecular dynamics (MD), (ii) Kohn-Sham density functional theory with the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional, and (iii) the screened-exchange hybrid functional of Heyd, Scuseria, and Ernzerhof (HSE). PBE allows an accurate generation of a-C and the evaluation of the local electrostatic potential in the a-C/water system, HSE yields an improved description of energetic positions which is critical in this case, and classical MD enables a computationally affordable description of water. Our explicit calculation shows that, both in vacuo and in aqueous environment, the a-C electronic states available in the region comprised between the H2/H2O and O2/H2O levels of water correspond to both occupied and unoccupied states within the a-C pseudogap region. These are localized states associated to sp2 sites in a-C. The band realignment induces a shift of approximately 300 meV of the a-C energy band positions with respect to the redox levels of water.

  16. All-electron GW quasiparticle band structures of group 14 nitride compounds

    SciTech Connect

    Chu, Iek-Heng; Cheng, Hai-Ping; Kozhevnikov, Anton; Schulthess, Thomas C.

    2014-07-28

    We have investigated the group 14 nitrides (M{sub 3}N{sub 4}) in the spinel phase (γ-M{sub 3}N{sub 4} with M = C, Si, Ge, and Sn) and β phase (β-M{sub 3}N{sub 4} with M = Si, Ge, and Sn) using density functional theory with the local density approximation and the GW approximation. The Kohn-Sham energies of these systems have been first calculated within the framework of full-potential linearized augmented plane waves (LAPW) and then corrected using single-shot G{sub 0}W{sub 0} calculations, which we have implemented in the modified version of the Elk full-potential LAPW code. Direct band gaps at the Γ point have been found for spinel-type nitrides γ-M{sub 3}N{sub 4} with M = Si, Ge, and Sn. The corresponding GW-corrected band gaps agree with experiment. We have also found that the GW calculations with and without the plasmon-pole approximation give very similar results, even when the system contains semi-core d electrons. These spinel-type nitrides are novel materials for potential optoelectronic applications because of their direct and tunable band gaps.

  17. Electronic band-gap modified passive silicon optical modulator at telecommunications wavelengths

    PubMed Central

    Zhang, Rui; Yu, Haohai; Zhang, Huaijin; Liu, Xiangdong; Lu, Qingming; Wang, Jiyang

    2015-01-01

    The silicon optical modulator is considered to be the workhorse of a revolution in communications. In recent years, the capabilities of externally driven active silicon optical modulators have dramatically improved. Self-driven passive modulators, especially passive silicon modulators, possess advantages in compactness, integration, low-cost, etc. Constrained by a large indirect band-gap and sensitivity-related loss, the passive silicon optical modulator is scarce and has been not advancing, especially at telecommunications wavelengths. Here, a passive silicon optical modulator is fabricated by introducing an impurity band in the electronic band-gap, and its nonlinear optics and applications in the telecommunications-wavelength lasers are investigated. The saturable absorption properties at the wavelength of 1.55 μm was measured and indicates that the sample is quite sensitive to light intensity and has negligible absorption loss. With a passive silicon modulator, pulsed lasers were constructed at wavelengths at 1.34 and 1.42 μm. It is concluded that the sensitive self-driven passive silicon optical modulator is a viable candidate for photonics applications out to 2.5 μm. PMID:26563679

  18. All-electron GW quasiparticle band structures of group 14 nitride compounds

    NASA Astrophysics Data System (ADS)

    Chu, Iek-Heng; Kozhevnikov, Anton; Schulthess, Thomas C.; Cheng, Hai-Ping

    2014-07-01

    We have investigated the group 14 nitrides (M3N4) in the spinel phase (γ-M3N4 with M = C, Si, Ge, and Sn) and β phase (β-M3N4 with M = Si, Ge, and Sn) using density functional theory with the local density approximation and the GW approximation. The Kohn-Sham energies of these systems have been first calculated within the framework of full-potential linearized augmented plane waves (LAPW) and then corrected using single-shot G0W0 calculations, which we have implemented in the modified version of the Elk full-potential LAPW code. Direct band gaps at the Γ point have been found for spinel-type nitrides γ-M3N4 with M = Si, Ge, and Sn. The corresponding GW-corrected band gaps agree with experiment. We have also found that the GW calculations with and without the plasmon-pole approximation give very similar results, even when the system contains semi-core d electrons. These spinel-type nitrides are novel materials for potential optoelectronic applications because of their direct and tunable band gaps.

  19. Electronic band-gap modified passive silicon optical modulator at telecommunications wavelengths

    NASA Astrophysics Data System (ADS)

    Zhang, Rui; Yu, Haohai; Zhang, Huaijin; Liu, Xiangdong; Lu, Qingming; Wang, Jiyang

    2015-11-01

    The silicon optical modulator is considered to be the workhorse of a revolution in communications. In recent years, the capabilities of externally driven active silicon optical modulators have dramatically improved. Self-driven passive modulators, especially passive silicon modulators, possess advantages in compactness, integration, low-cost, etc. Constrained by a large indirect band-gap and sensitivity-related loss, the passive silicon optical modulator is scarce and has been not advancing, especially at telecommunications wavelengths. Here, a passive silicon optical modulator is fabricated by introducing an impurity band in the electronic band-gap, and its nonlinear optics and applications in the telecommunications-wavelength lasers are investigated. The saturable absorption properties at the wavelength of 1.55 μm was measured and indicates that the sample is quite sensitive to light intensity and has negligible absorption loss. With a passive silicon modulator, pulsed lasers were constructed at wavelengths at 1.34 and 1.42 μm. It is concluded that the sensitive self-driven passive silicon optical modulator is a viable candidate for photonics applications out to 2.5 μm.

  20. S-band linac-based X-ray source with π/2-mode electron linac

    NASA Astrophysics Data System (ADS)

    Deshpande, Abhay; Araki, Sakae; Dixit, Tanuja; Fukuda, Masafumi; Krishnan, R.; Pethe, Sanjay; Sakaue, Kazuyuki; Terunuma, Nobuhiro; Urakawa, Junji; Washio, Masakazu

    2011-05-01

    The activities with the compact X-ray source are attracting more attention, particularly for the applications of the source in medical fields. We propose the fabrication of a compact X-ray source using the SAMEER electron linear accelerator and the KEK laser undulator X-ray source (LUCX) technologies. The linac developed at SAMEER is a standing wave side-coupled S-band linac operating in the π/2 mode. In the proposed system, a photocathode RF gun will inject bunches of electrons in the linac to accelerate and achieve a high-energy, low-emittance beam. This beam will then interact with the laser in the laser cavity to produce X-rays of a type well suited for various applications. The side-coupled structure will make the system more compact, and the π/2 mode of operation will enable a high repetition rate operation, which will help to increase the X-ray yield.

  1. Giant amplification in degenerate band edge slow-wave structures interacting with an electron beam

    NASA Astrophysics Data System (ADS)

    Othman, Mohamed A. K.; Veysi, Mehdi; Figotin, Alexander; Capolino, Filippo

    2016-03-01

    We propose a new amplification regime based on a synchronous operation of four degenerate electromagnetic (EM) modes in a slow-wave structure and the electron beam, referred to as super synchronization. These four EM modes arise in a Fabry-Pérot cavity when degenerate band edge (DBE) condition is satisfied. The modes interact constructively with the electron beam resulting in superior amplification. In particular, much larger gains are achieved for smaller beam currents compared to conventional structures based on synchronization with only a single EM mode. We demonstrate giant gain scaling with respect to the length of the slow-wave structure compared to conventional Pierce type single mode traveling wave tube amplifiers. We construct a coupled transmission line model for a loaded waveguide slow-wave structure exhibiting a DBE, and investigate the phenomenon of giant gain via super synchronization using the Pierce model generalized to multimode interaction.

  2. Coherent phonon spectroscopy characterization of electronic bands at buried semiconductor heterointerfaces

    NASA Astrophysics Data System (ADS)

    Ishioka, Kunie; Brixius, Kristina; Beyer, Andreas; Rustagi, Avinash; Stanton, Christopher J.; Stolz, Wolfgang; Volz, Kerstin; Höfer, Ulrich; Petek, Hrvoje

    2016-02-01

    We demonstrate an all-optical approach to probe electronic band structure at buried interfaces involving polar semiconductors. Femtosecond optical pulses excite coherent phonons in epitaxial GaP films grown on Si(001) substrate. We find that the coherent phonon amplitude critically depends on the film growth conditions, specifically in the presence of antiphase domains, which are independently characterized by transmission electron microscopy. We determine the Fermi levels at the buried interface of GaP/Si from the coherent phonon amplitudes and demonstrate that the internal electric fields are created in the nominally undoped GaP films as well as the Si substrates, possibly due to the carrier trapping at the antiphase boundaries and/or at the interface.

  3. Enhanced conduction band density of states in intermetallic EuTSi3 (T = Rh, Ir)

    NASA Astrophysics Data System (ADS)

    Maurya, Arvind; Bonville, P.; Thamizhavel, A.; Dhar, S. K.

    2015-09-01

    We report on the physical properties of single crystalline EuRhSi3 and polycrystalline EuIrSi3, inferred from magnetization, electrical transport, heat capacity and 151Eu Mössbauer spectroscopy. These previously known compounds crystallise in the tetragonal BaNiSn3-type structure. The single crystal magnetization in EuRhSi3 has a strongly anisotropic behaviour at 2 K with a spin-flop field of 13 T, and we present a model of these magnetic properties which allows the exchange constants to be determined. In both compounds, specific heat shows the presence of a cascade of two close transitions near 50 K, and the 151Eu Mössbauer spectra demonstrate that the intermediate phase has an incommensurate amplitude modulated structure. We find anomalously large values, with respect to other members of the series, for the RKKY Néel temperature, for the spin-flop field (13 T), for the spin-wave gap (≃ 20-25 K) inferred from both resistivity and specific heat data, for the spin-disorder resistivity in EuIrSi3 (≃ 240 μ Ω cm) and for the saturated hyperfine field (52 T). The enhanced values of the quantities that depend on the electronic density of states at the Fermi level, imply that the latter must be strongly enhanced in these two materials. EuIrSi3 exhibits a giant magnetoresistance ratio, with values exceeding 600% at 2 K in a field of 14 T.

  4. Physical properties and electronic band structure of noncentrosymmetric Th7Co3 superconductor.

    PubMed

    Sahakyan, M; Tran, V H

    2016-05-25

    The physical properties of the noncentrosymmetric superconductor Th7Co3 have been investigated by means of ac-magnetic susceptibility, magnetization, specific heat, electrical resistivity, magnetoresistance and Hall effect measurements. From these data it is established that Th7Co3 is a dirty type-II superconductor with [Formula: see text] K, [Formula: see text] and moderate electron-phonon coupling [Formula: see text]. Some evidences for anisotropic superconducting gap are found, including e.g. reduced specific heat jump ([Formula: see text]) at T c, diminished superconducting energy gap ([Formula: see text]) as compared to the BCS values, power law field dependence of the Sommerfeld coefficient at 0.4 K ([Formula: see text]), and a concave curvature of the [Formula: see text] line. The magnitudes of the thermodynamic critical field and the energy gap are consistent with mean-squared anisotropy parameter [Formula: see text]. The electronic specific heat in the superconducting state is reasonably fitted to an oblate spheroidal gap model. Calculations of scalar relativistic and fully relativistic electronic band structures reveal considerable differences in the degenerate structure, resulting from asymmetric spin-orbit coupling (ASOC). A large splitting energy of spin-up spin-down bands at the Fermi level E F, [Formula: see text] meV is observed and a sizeable ratio [Formula: see text] could classify the studied compound into the class of noncentrosymmetric superconductors with strong ASOC. The noncentrosymmetry of the crystal structure and the atomic relativistic effects are both responsible for an importance of ASOC in Th7Co3. The calculated results for the density of states show a Van Hove singularity just below E F and dominant role of the 6d electrons of Th to the superconductivity. PMID:27120582

  5. Physical properties and electronic band structure of noncentrosymmetric Th7Co3 superconductor.

    PubMed

    Sahakyan, M; Tran, V H

    2016-05-25

    The physical properties of the noncentrosymmetric superconductor Th7Co3 have been investigated by means of ac-magnetic susceptibility, magnetization, specific heat, electrical resistivity, magnetoresistance and Hall effect measurements. From these data it is established that Th7Co3 is a dirty type-II superconductor with [Formula: see text] K, [Formula: see text] and moderate electron-phonon coupling [Formula: see text]. Some evidences for anisotropic superconducting gap are found, including e.g. reduced specific heat jump ([Formula: see text]) at T c, diminished superconducting energy gap ([Formula: see text]) as compared to the BCS values, power law field dependence of the Sommerfeld coefficient at 0.4 K ([Formula: see text]), and a concave curvature of the [Formula: see text] line. The magnitudes of the thermodynamic critical field and the energy gap are consistent with mean-squared anisotropy parameter [Formula: see text]. The electronic specific heat in the superconducting state is reasonably fitted to an oblate spheroidal gap model. Calculations of scalar relativistic and fully relativistic electronic band structures reveal considerable differences in the degenerate structure, resulting from asymmetric spin-orbit coupling (ASOC). A large splitting energy of spin-up spin-down bands at the Fermi level E F, [Formula: see text] meV is observed and a sizeable ratio [Formula: see text] could classify the studied compound into the class of noncentrosymmetric superconductors with strong ASOC. The noncentrosymmetry of the crystal structure and the atomic relativistic effects are both responsible for an importance of ASOC in Th7Co3. The calculated results for the density of states show a Van Hove singularity just below E F and dominant role of the 6d electrons of Th to the superconductivity.

  6. Enhanced conduction band density of states in intermetallic EuTSi3 (T = Rh, Ir).

    PubMed

    Maurya, Arvind; Bonville, P; Thamizhavel, A; Dhar, S K

    2015-09-16

    We report on the physical properties of single crystalline EuRhSi3 and polycrystalline EuIrSi3, inferred from magnetization, electrical transport, heat capacity and (151)Eu Mössbauer spectroscopy. These previously known compounds crystallise in the tetragonal BaNiSn3-type structure. The single crystal magnetization in EuRhSi3 has a strongly anisotropic behaviour at 2 K with a spin-flop field of 13 T, and we present a model of these magnetic properties which allows the exchange constants to be determined. In both compounds, specific heat shows the presence of a cascade of two close transitions near 50 K, and the (151)Eu Mössbauer spectra demonstrate that the intermediate phase has an incommensurate amplitude modulated structure. We find anomalously large values, with respect to other members of the series, for the RKKY Néel temperature, for the spin-flop field (13 T), for the spin-wave gap (≃20-25 K) inferred from both resistivity and specific heat data, for the spin-disorder resistivity in EuIrSi3 (≃240 μΩ cm) and for the saturated hyperfine field (52 T). The enhanced values of the quantities that depend on the electronic density of states at the Fermi level, imply that the latter must be strongly enhanced in these two materials. EuIrSi3 exhibits a giant magnetoresistance ratio, with values exceeding 600% at 2 K in a field of 14 T. PMID:26289169

  7. Electronic and thermoelectric properties of Mexican hat bands in van-der-Waals materials

    NASA Astrophysics Data System (ADS)

    Wickramaratne, Darshana; Zahid, Ferdows; Lake, Roger

    2015-03-01

    Mexican hat dispersions are relatively common in few-layer two-dimensional materials. In one to four monolayers of the group-III chalcogenides (GaS, GaSe, InS, InSe) and Bi2Se3 the valence band undergoes a band inversion from a parabolic to an inverted Mexican hat dispersion as the film thickness is reduced from bulk to a single monolayer. The band inversion is robust against changes in stacking order, omission or inclusion of spin-orbit coupling and the choice of functional. The Mexican hat dispersion results in a 1/√{ E} singularity in the two-dimensional density of states and a step-function turn on in the density of modes. The largest radius of the ring of states occurs for a single monolayer of each material. The dispersion with the largest radius coincides with the maximum power factor and ZT for a material at room temperature. Ab-initio electronic structure calculations are used with a Landauer approach to calculate the thermoelectric transport coefficients. Analytical models of the Mexican hat and the parabolic dispersions are used for comparison and analysis. Vertically biased bilayer graphene could serve as an experimental test-bed for measuring this effect since the radius of the Mexican hat band edge increases linearly with vertical electric field. Support by the NSF and SRC-NRI Project 2204.001 (NSF-ECCS-1124733), FAME, one of six centers of STARnet, a SRC program sponsored by MARCO and DARPA and the use of XSEDE NSF Grant # OCI-1053575.

  8. Electronic band structure calculation of GaNAsBi alloys and effective mass study

    NASA Astrophysics Data System (ADS)

    Habchi, M. M.; Ben Nasr, A.; Rebey, A.; El Jani, B.

    2013-11-01

    Electronic band structures of GaNxAs1-x-yBiy dilute nitrides-bismides have been determined theoretically within the framework of the band anticrossing (BAC) model and k ṡ p method. We have developed computer codes based on our extended BAC model, denoted (16 × 16), in which the dimension of the used states basis was equal to 16. We have investigated the band gap and the spin orbit splitting as a function of Bi composition for alloys lattice matched to GaAs. We have found that the substitution of As element by N and Bi impurities leads to a significant reduction of band gap energy by roughly 198 meV/%Bi. Meanwhile, spin orbit splitting increases by 56 meV/%Bi regardless N content. There is an excellent agreement between the model predictions and experiment reported in the literature. In addition, alloys compositions and oscillator strengths of transition energies have been calculated for GaNAsBi alloys which represent active zone of temperature insensitive (1.55 μm and 1.3 μm) wavelength laser diodes intended for optical fiber communications. A crossover at about 0.6 eV has occurred between Eg and Δso of GaN.039As.893Bi.068. When the quaternary is lattice mismatched to GaAs, resonance energy increases with Bi content if N content decreases. On the other hand, effective mass behavior of carriers at Γ point has been discussed with respect to alloy composition, k-directions and lattice mismatch.

  9. Development of high power THz-TDS system based on S-band compact electron linac

    NASA Astrophysics Data System (ADS)

    Kuroda, R.; Sei, N.; Oka, T.; Yasumoto, M.; Toyokawa, H.; Ogawa, H.; Koike, M.; Yamada, K.; Sakai, F.

    2008-10-01

    The high power terahertz (THz)-time domain spectroscopy (TDS) system has been designed based on S-band compact electron linac at Advanced Industrial Science and Technology (AIST). The THz pulse is expected to have the peak power of about 25 kW with frequency range 0.1-2 THz using the 40 MeV electron beam which has about 1 nC bunch charge with 300 fs bunch length (rms). The aptitude discussion of the EO sampling method with ZnTe crystal was accomplished to apply to our THz-TDS system. The preliminary experiment of the absorption measurements of P-PPV on the Si wafer has been successfully demonstrated using the 0.1 THz coherent synchrotron radiation (CSR) pulse and W-band rf detector. It is confirmed that the intense of the THz pulse is enough to perform the THz-TDS analysis of the sample on the Si wafer. In near future, the investigation of the un-researched materials will be started in the frequency range 0.1-2 THz with our high power THz-TDS system.

  10. The electronic and transport properties of monolayer transition metal dichalcogenides: a complex band structure analysis

    NASA Astrophysics Data System (ADS)

    Szczesniak, Dominik

    Recently, monolayer transition metal dichalcogenides have attracted much attention due to their potential use in both nano- and opto-electronics. In such applications, the electronic and transport properties of group-VIB transition metal dichalcogenides (MX2 , where M=Mo, W; X=S, Se, Te) are particularly important. Herein, new insight into these properties is presented by studying the complex band structures (CBS's) of MX2 monolayers while accounting for spin-orbit coupling effects. By using the symmetry-based tight-binding model a nonlinear generalized eigenvalue problem for CBS's is obtained. An efficient method for solving such class of problems is presented and gives a complete set of physically relevant solutions. Next, these solutions are characterized and classified into propagating and evanescent states, where the latter states present not only monotonic but also oscillatory decay character. It is observed that some of the oscillatory evanescent states create characteristic complex loops at the direct band gaps, which describe the tunneling currents in the MX2 materials. The importance of CBS's and tunneling currents is demonstrated by the analysis of the quantum transport across MX2 monolayers within phase field matching theory. Present work has been prepared within the Qatar Energy and Environment Research Institute (QEERI) grand challenge ATHLOC project (Project No. QEERI- GC-3008).

  11. Band-structure-based collisional model for electronic excitations in ion-surface collisions

    SciTech Connect

    Faraggi, M.N.; Gravielle, M.S.; Alducin, M.; Silkin, V.M.; Juaristi, J.I.

    2005-07-15

    Energy loss per unit path in grazing collisions with metal surfaces is studied by using the collisional and dielectric formalisms. Within both theories we make use of the band-structure-based (BSB) model to represent the surface interaction. The BSB approach is based on a model potential and provides a precise description of the one-electron states and the surface-induced potential. The method is applied to evaluate the energy lost by 100 keV protons impinging on aluminum surfaces at glancing angles. We found that when the realistic BSB description of the surface is used, the energy loss obtained from the collisional formalism agrees with the dielectric one, which includes not only binary but also plasmon excitations. The distance-dependent stopping power derived from the BSB model is in good agreement with available experimental data. We have also investigated the influence of the surface band structure in collisions with the Al(100) surface. Surface-state contributions to the energy loss and electron emission probability are analyzed.

  12. Low-dimensional transport and large thermoelectric power factors in bulk semiconductors by band engineering of highly directional electronic states.

    PubMed

    Bilc, Daniel I; Hautier, Geoffroy; Waroquiers, David; Rignanese, Gian-Marco; Ghosez, Philippe

    2015-04-01

    Thermoelectrics are promising for addressing energy issues but their exploitation is still hampered by low efficiencies. So far, much improvement has been achieved by reducing the thermal conductivity but less by maximizing the power factor. The latter imposes apparently conflicting requirements on the band structure: a narrow energy distribution and a low effective mass. Quantum confinement in nanostructures and the introduction of resonant states were suggested as possible solutions to this paradox, but with limited success. Here, we propose an original approach to fulfill both requirements in bulk semiconductors. It exploits the highly directional character of some orbitals to engineer the band structure and produce a type of low-dimensional transport similar to that targeted in nanostructures, while retaining isotropic properties. Using first-principle calculations, the theoretical concept is demonstrated in Fe2YZ Heusler compounds, yielding power factors 4 to 5 times larger than in classical thermoelectrics at room temperature. Our findings are totally generic and rationalize the search of alternative compounds with similar behavior. Beyond thermoelectricity, these might be relevant also in the context of electronic, superconducting, or photovoltaic applications. PMID:25884131

  13. Low-dimensional transport and large thermoelectric power factors in bulk semiconductors by band engineering of highly directional electronic states.

    PubMed

    Bilc, Daniel I; Hautier, Geoffroy; Waroquiers, David; Rignanese, Gian-Marco; Ghosez, Philippe

    2015-04-01

    Thermoelectrics are promising for addressing energy issues but their exploitation is still hampered by low efficiencies. So far, much improvement has been achieved by reducing the thermal conductivity but less by maximizing the power factor. The latter imposes apparently conflicting requirements on the band structure: a narrow energy distribution and a low effective mass. Quantum confinement in nanostructures and the introduction of resonant states were suggested as possible solutions to this paradox, but with limited success. Here, we propose an original approach to fulfill both requirements in bulk semiconductors. It exploits the highly directional character of some orbitals to engineer the band structure and produce a type of low-dimensional transport similar to that targeted in nanostructures, while retaining isotropic properties. Using first-principle calculations, the theoretical concept is demonstrated in Fe2YZ Heusler compounds, yielding power factors 4 to 5 times larger than in classical thermoelectrics at room temperature. Our findings are totally generic and rationalize the search of alternative compounds with similar behavior. Beyond thermoelectricity, these might be relevant also in the context of electronic, superconducting, or photovoltaic applications.

  14. Theoretical and experimental studies on wide-band-gap p-type conductive BaCuSeF and related compounds

    NASA Astrophysics Data System (ADS)

    Sakakima, Hiroshi; Nishitani, Mikihiko; Yamamoto, Koichi; Wada, Takahiro

    2015-08-01

    BaCuSeF and related compounds, MCuQF (M = Ba, Sr; Q = Se, S), are known to show p-type conduction. The formation energies of the Cu vacancy ΔH[VCu] in a MCuQF system were computed by first-principles calculation with a generalized gradient approximation (GGA) of the Perdew-Burke-Ernzerhof (PBE) functional as an electron exchange and correlation functional. The density of states (DOS) of BaCuSeF was calculated with the hybrid functional of Heyd-Scuseria-Ernzerhof (HSE) 06. ΔH[VCu] was found to be very small under both the Cu- and Q-rich conditions, which probably contributes to p-type conduction. The electronic structure of BaCuSeF was studied by X-ray photoelectron spectroscopy (XPS) with UV photoelectron yield spectroscopy (UVPYS) and photoemission yield spectroscopy (PYS). The determined depth of the top of the valence band relative to the vacuum level was about 4.9 eV. This value is desirable for applications in compound semiconductor thin-film tandem solar cells since the absorbers of polycrystalline thin-film solar cells, such as CdTe and Cu(In,Ga)Se2, are p-type semiconductors. The DOS of BaCuSeF calculated with the HSE06 functional was almost consistent with the XPS spectrum.

  15. Methodology for determining the electronic thermal conductivity of metals via direct nonequilibrium ab initio molecular dynamics

    NASA Astrophysics Data System (ADS)

    Yue, Sheng-Ying; Zhang, Xiaoliang; Stackhouse, Stephen; Qin, Guangzhao; Di Napoli, Edoardo; Hu, Ming

    2016-08-01

    Many physical properties of metals can be understood in terms of the free electron model, as proven by the Wiedemann-Franz law. According to this model, electronic thermal conductivity can be inferred from the Boltzmann transport equation (BTE). However, the BTE does not perform well for some complex metals, such as Cu. Moreover, the BTE cannot clearly describe the origin of the thermal energy carried by electrons or how this energy is transported in metals. The charge distribution of conduction electrons in metals is known to reflect the electrostatic potential of the ion cores. Based on this premise, we develop a methodology for evaluating electronic thermal conductivity of metals by combining the free electron model and nonequilibrium ab initio molecular dynamics simulations. We confirm that the kinetic energy of thermally excited electrons originates from the energy of the spatial electrostatic potential oscillation, which is induced by the thermal motion of ion cores. This method directly predicts the electronic thermal conductivity of pure metals with a high degree of accuracy, without explicitly addressing any complicated scattering processes of free electrons. Our methodology offers a route to understand the physics of heat transfer by electrons at the atomistic level. The methodology can be further extended to the study of similar electron-involved problems in materials, such as electron-phonon coupling, which is underway currently.

  16. Temperature and donor concentration dependence of the conduction electron Lande g-factor in silicon

    SciTech Connect

    Konakov, Anton A.; Ezhevskii, Alexander A.; Soukhorukov, Andrey V.; Guseinov, Davud V.; Popkov, Sergey A.; Burdov, Vladimir A.

    2013-12-04

    Temperature and donor concentration dependence of the conduction electron g-factor in silicon has been investigated both experimentally and theoretically. We performed electron spin resonance experiments on Si samples doped with different densities of phosphorus and lithium. Theoretical consideration is based on the renormalization of the electron energy in a weak magnetic field by the interaction with possible perturbing agents, such as phonons and impurity centers. In the second-order perturbation theory interaction of the electron subsystem with the lattice vibrations as well as ionized donors results in decreasing the conduction electron g-factor, which becomes almost linear function both of temperature and impurity concentration.

  17. The importance of electron heat conduction in the energy balance of the F-region

    NASA Technical Reports Server (NTRS)

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

    1978-01-01

    Taking into account heat conduction in the analysis of electron temperature data acquired by the AE-C satellite during the daytime at middle latitudes is shown to bring theoretical electron temperature profiles in good agreement with experimental ones. Middle latitude passes were chosen because in this region the horizontal electron temperature gradient is negligible and the height variation can be approximated by the satellite data. Inclusion of heat conduction is shown to have little effect on low-latitude data.

  18. Electronic structures, elastic properties, and minimum thermal conductivities of cermet M{sub 3}AlN

    SciTech Connect

    Wang, Jin; Chen, ZhiQian; Li, ChunMei; Li, Feng; Nie, ChaoYin

    2014-08-15

    The electronic structures and elastic anisotropies of cubic Ti{sub 3}AlN, Zr{sub 3}AlN, and Hf{sub 3}AlN are investigated by pseudopotential plane-wave method based on density functional theory. At the Fermi level, the electronic structures of these compounds are successive with no energy gap between conduct and valence bands, and exhibit metallicity in ground states. In valence band of each partial density of states, the different orbital electrons indicate interaction of corresponding atoms. In addition, the anisotropy of Hf{sub 3}AlN is found to be significantly different from that of Ti{sub 3}AlN and Zr{sub 3}AlN, which involve the differences in the bonding strength. It is notable that Hf{sub 3}AlN is a desired thermal barrier material with the lowest thermal conductivity at high temperature among the three compounds. - Graphical abstract: 1.Young's moduli of anti-perovskite Ti{sub 3}AlN, Zr{sub 3}AlN, and Hf{sub 3}AlN in full space. 2.Electron density differences on crystal planes (1 0 0), (2 0 0), and (1 1 0) of anti-perovskite Zr{sub 3}AlN. - Highlights: • We calculated three anti-perovskite cermets with first-principles theory. • We illustrated 3D Young modulus and found the anomalous anisotropy. • We explained the anomaly and calculated the minimum thermal conductivities.

  19. Transition-metal-substituted indium thiospinels as novel intermediate-band materials: prediction and understanding of their electronic properties.

    PubMed

    Palacios, P; Aguilera, I; Sánchez, K; Conesa, J C; Wahnón, P

    2008-07-25

    Results of density-functional calculations for indium thiospinel semiconductors substituted at octahedral sites with isolated transition metals (M=Ti,V) show an isolated partially filled narrow band containing three t2g-type states per M atom inside the usual semiconductor band gap. Thanks to this electronic structure feature, these materials will allow the absorption of photons with energy below the band gap, in addition to the normal light absorption of a semiconductor. To our knowledge, we demonstrate for the first time the formation of an isolated intermediate electronic band structure through M substitution at octahedral sites in a semiconductor, leading to an enhancement of the absorption coefficient in both infrared and visible ranges of the solar spectrum. This electronic structure feature could be applied for developing a new third-generation photovoltaic cell. PMID:18764346

  20. Electrochemically oxidized electronic and ionic conducting nanostructured block copolymers for lithium battery electrodes.

    PubMed

    Patel, Shrayesh N; Javier, Anna E; Balsara, Nitash P

    2013-07-23

    Block copolymers that can simultaneously conduct electronic and ionic charges on the nanometer length scale can serve as innovative conductive binder material for solid-state battery electrodes. The purpose of this work is to study the electronic charge transport of poly(3-hexylthiophene)-b-poly(ethylene oxide) (P3HT-PEO) copolymers electrochemically oxidized with lithium bis(trifluoromethanesulfonyl) imide (LiTFSI) salt in the context of a lithium battery charge/discharge cycle. We use a solid-state three-terminal electrochemical cell that enables simultaneous conductivity measurements and control over electrochemical doping of P3HT. At low oxidation levels (ratio of moles of electrons removed to moles of 3-hexylthiophene moieties in the electrode), the electronic conductivity (σe,ox) increases from 10(-7) S/cm to 10(-4) S/cm. At high oxidation levels, σe,ox approaches 10(-2) S/cm. When P3HT-PEO is used as a conductive binder in a positive electrode with LiFePO4 active material, P3HT is electrochemically active within the voltage window of a charge/discharge cycle. The electronic conductivity of the P3HT-PEO binder is in the 10(-4) to 10(-2) S/cm range over most of the potential window of the charge/discharge cycle. This allows for efficient electronic conduction, and observed charge/discharge capacities approach the theoretical limit of LiFePO4. However, at the end of the discharge cycle, the electronic conductivity decreases sharply to 10(-7) S/cm, which means the "conductive" binder is now electronically insulating. The ability of our conductive binder to switch between electronically conducting and insulating states in the positive electrode provides an unprecedented route for automatic overdischarge protection in rechargeable batteries.

  1. Valence-band electronic structure of iron phthalocyanine: An experimental and theoretical photoelectron spectroscopy study

    NASA Astrophysics Data System (ADS)

    Brena, Barbara; Puglia, Carla; de Simone, Monica; Coreno, Marcello; Tarafder, Kartick; Feyer, Vitaly; Banerjee, Rudra; Göthelid, Emmanuelle; Sanyal, Biplab; Oppeneer, Peter M.; Eriksson, Olle

    2011-02-01

    The electronic structure of iron phthalocyanine (FePc) in the valence region was examined within a joint theoretical-experimental collaboration. Particular emphasis was placed on the determination of the energy position of the Fe 3d levels in proximity of the highest occupied molecular orbital (HOMO). Photoelectron spectroscopy (PES) measurements were performed on FePc in gas phase at several photon energies in the interval between 21 and 150 eV. Significant variations of the relative intensities were observed, indicating a different elemental and atomic orbital composition of the highest lying spectral features. The electronic structure of a single FePc molecule was first computed by quantum chemical calculations by means of density functional theory (DFT). The hybrid Becke 3-parameter, Lee, Yang and Parr (B3LYP) functional and the semilocal 1996 functional of Perdew, Burke and Ernzerhof (PBE) of the generalized gradient approximation (GGA-)type, exchange-correlation functionals were used. The DFT/B3LYP calculations find that the HOMO is a doubly occupied π-type orbital formed by the carbon 2p electrons, and the HOMO-1 is a mixing of carbon 2p and iron 3d electrons. In contrast, the DFT/PBE calculations find an iron 3d contribution in the HOMO. The experimental photoelectron spectra of the valence band taken at different energies were simulated by means of the Gelius model, taking into account the atomic subshell photoionization cross sections. Moreover, calculations of the electronic structure of FePc using the GGA+U method were performed, where the strong correlations of the Fe 3d electronic states were incorporated through the Hubbard model. Through a comparison with our quantum chemical calculations we find that the best agreement with the experimental results is obtained for a Ueff value of 5 eV.

  2. Metal-oxide based transparent conductive oxides and thin film transistors for flexible electronics

    NASA Astrophysics Data System (ADS)

    Indluru, Anil

    The object of this study is to investigate and improve the performance/stability of the flexible thin film transistors (TFTs) and to study the properties of metal oxide transparent conductive oxides for wide range of flexible electronic applications. Initially, a study has been done to improve the conductivity of ITO (indium tin oxide) films on PEN (p olyethylene naphthalate) by inserting a thin layer of silver layer between two ITO layers. The multilayer with an optimum Ag mid-layer thickness, of 8 nm, exhibited excellent photopic average transmittance (˜ 88 %), resistivity (˜ 2.7 x 10-5 micro-cm.) and has the best Hackee figure of merit (41.0 x 10-3 O -1). The electrical conduction is dominated by two different scattering mechanisms depending on the thickness of the Ag mid-layer. Optical transmission is explained by scattering losses and absorption of light due to inter-band electronic transitions. A systematic study was carried out to improve the performance/stability of the TFTs on PEN. The performance and stability of a-Si:H and a-IZO (amorphous indium zinc oxide) TFTs were improved by performing a systematic low temperature (150 °C) anneals for extended times. For 96 hours annealed a-Si:H TFTs, the sub-threshold slope and off-current were reduced by a factor ˜ 3 and by 2 orders of magnitude, respectively when compared to unannealed a-Si:H TFTs. For a-IZO TFTs, 48 hours of annealing is found to be the optimum time for the best performance and elevated temperature stability. These devices exhibit saturation mobility varying between 4.5--5.5 cm2/V-s, ION/IOFF ratio was 10 6 and a sub-threshold swing variation of 1--1.25 V/decade. An in-depth study on the mechanical and electromechanical stress response on the electrical properties of the a-IZO TFTs has also been investigated. Finally, the a-Si:H TFTs were exposed to gamma radiation to examine their radiation resistance. The interface trap density (Nit) values range from 5 to 6 x 1011 cm-2 for only electrical

  3. Localized conductive patterning via focused electron beam reduction of graphene oxide

    SciTech Connect

    Kim, Songkil; Henry, Mathias; Kulkarni, Dhaval D.; Zackowski, Paul; Jang, Seung Soon; Tsukruk, Vladimir V.; Fedorov, Andrei G.

    2015-03-30

    We report on a method for “direct-write” conductive patterning via reduction of graphene oxide (GO) sheets using focused electron beam induced deposition (FEBID) of carbon. FEBID treatment of the intrinsically dielectric graphene oxide between two metal terminals opens up the conduction channel, thus enabling a unique capability for nanoscale conductive domain patterning in GO. An increase in FEBID electron dose results in a significant increase of the domain electrical conductivity with improving linearity of drain-source current vs. voltage dependence, indicative of a change of graphene oxide electronic properties from insulating to semiconducting. Density functional theory calculations suggest a possible mechanism underlying this experimentally observed phenomenon, as localized reduction of graphene oxide layers via interactions with highly reactive intermediates of electron-beam-assisted dissociation of surface-adsorbed hydrocarbon molecules. These findings establish an unusual route for using FEBID as nanoscale lithography and patterning technique for engineering carbon-based nanomaterials and devices with locally tailored electronic properties.

  4. Localized conductive patterning via focused electron beam reduction of graphene oxide

    NASA Astrophysics Data System (ADS)

    Kim, Songkil; Kulkarni, Dhaval D.; Henry, Mathias; Zackowski, Paul; Jang, Seung Soon; Tsukruk, Vladimir V.; Fedorov, Andrei G.

    2015-03-01

    We report on a method for "direct-write" conductive patterning via reduction of graphene oxide (GO) sheets using focused electron beam induced deposition (FEBID) of carbon. FEBID treatment of the intrinsically dielectric graphene oxide between two metal terminals opens up the conduction channel, thus enabling a unique capability for nanoscale conductive domain patterning in GO. An increase in FEBID electron dose results in a significant increase of the domain electrical conductivity with improving linearity of drain-source current vs. voltage dependence, indicative of a change of graphene oxide electronic properties from insulating to semiconducting. Density functional theory calculations suggest a possible mechanism underlying this experimentally observed phenomenon, as localized reduction of graphene oxide layers via interactions with highly reactive intermediates of electron-beam-assisted dissociation of surface-adsorbed hydrocarbon molecules. These findings establish an unusual route for using FEBID as nanoscale lithography and patterning technique for engineering carbon-based nanomaterials and devices with locally tailored electronic properties.

  5. 8-band and 14-band kp modeling of electronic band structure and material gain in Ga(In)AsBi quantum wells grown on GaAs and InP substrates

    SciTech Connect

    Gladysiewicz, M.; Wartak, M. S.; Kudrawiec, R.

    2015-08-07

    The electronic band structure and material gain have been calculated for GaAsBi/GaAs quantum wells (QWs) with various bismuth concentrations (Bi ≤ 15%) within the 8-band and 14-band kp models. The 14-band kp model was obtained by extending the standard 8-band kp Hamiltonian by the valence band anticrossing (VBAC) Hamiltonian, which is widely used to describe Bi-related changes in the electronic band structure of dilute bismides. It has been shown that in the range of low carrier concentrations n < 5 × 10{sup 18 }cm{sup −3}, material gain spectra calculated within 8- and 14-band kp Hamiltonians are similar. It means that the 8-band kp model can be used to calculate material gain in dilute bismides QWs. Therefore, it can be applied to analyze QWs containing new dilute bismides for which the VBAC parameters are unknown. Thus, the energy gap and electron effective mass for Bi-containing materials are used instead of VBAC parameters. The electronic band structure and material gain have been calculated for 8 nm wide GaInAsBi QWs on GaAs and InP substrates with various compositions. In these QWs, Bi concentration was varied from 0% to 5% and indium concentration was tuned in order to keep the same compressive strain (ε = 2%) in QW region. For GaInAsBi/GaAs QW with 5% Bi, gain peak was determined to be at about 1.5 μm. It means that it can be possible to achieve emission at telecommunication windows (i.e., 1.3 μm and 1.55 μm) for GaAs-based lasers containing GaInAsBi/GaAs QWs. For GaInAsBi/Ga{sub 0.47}In{sub 0.53}As/InP QWs with 5% Bi, gain peak is predicted to be at about 4.0 μm, i.e., at the wavelengths that are not available in current InP-based lasers.

  6. Mechanisms of nonequilibrium electron-phonon coupling and thermal conductance at interfaces

    NASA Astrophysics Data System (ADS)

    Giri, Ashutosh; Gaskins, John T.; Donovan, Brian F.; Szwejkowski, Chester; Warzoha, Ronald J.; Rodriguez, Mark A.; Ihlefeld, Jon; Hopkins, Patrick E.

    2015-03-01

    We study the electron and phonon thermal coupling mechanisms at interfaces between gold films with and without Ti adhesion layers on various substrates via pump-probe time-domain thermoreflectance. The coupling between the electronic and the vibrational states is increased by more than a factor of five with the inclusion of an ˜3 nm Ti adhesion layer between the Au film and the non-metal substrate. Furthermore, we show an increase in the rate of relaxation of the electron system with increasing electron and lattice temperatures induced by the laser power and attribute this to enhanced electron-electron scattering, a transport channel that becomes more pronounced with increased electron temperatures. The inclusion of the Ti layer also results in a linear dependence of the electron-phonon relaxation rate with temperature, which we attribute to the coupling of electrons at and near the Ti/substrate interface. This enhanced electron-phonon coupling due to electron-interface scattering is shown to have negligible influence on the Kapitza conductances between the Au/Ti and the substrates at longer time scales when the electrons and phonons in the metal have equilibrated. These results suggest that only during highly nonequilibrium conditions between the electrons and phonons (Te ≫ Tp) does electron-phonon scattering at an interface contribute to thermal boundary conductance.

  7. Mechanisms of nonequilibrium electron-phonon coupling and thermal conductance at interfaces

    SciTech Connect

    Giri, Ashutosh; Gaskins, John T.; Donovan, Brian F.; Szwejkowski, Chester; Hopkins, Patrick E.; Warzoha, Ronald J.; Rodriguez, Mark A.; Ihlefeld, Jon

    2015-03-14

    We study the electron and phonon thermal coupling mechanisms at interfaces between gold films with and without Ti adhesion layers on various substrates via pump-probe time-domain thermoreflectance. The coupling between the electronic and the vibrational states is increased by more than a factor of five with the inclusion of an ∼3 nm Ti adhesion layer between the Au film and the non-metal substrate. Furthermore, we show an increase in the rate of relaxation of the electron system with increasing electron and lattice temperatures induced by the laser power and attribute this to enhanced electron-electron scattering, a transport channel that becomes more pronounced with increased electron temperatures. The inclusion of the Ti layer also results in a linear dependence of the electron-phonon relaxation rate with temperature, which we attribute to the coupling of electrons at and near the Ti/substrate interface. This enhanced electron-phonon coupling due to electron-interface scattering is shown to have negligible influence on the Kapitza conductances between the Au/Ti and the substrates at longer time scales when the electrons and phonons in the metal have equilibrated. These results suggest that only during highly nonequilibrium conditions between the electrons and phonons (T{sub e} ≫ T{sub p}) does electron-phonon scattering at an interface contribute to thermal boundary conductance.

  8. Valence and conduction band alignment at ScN interfaces with 3C-SiC (111) and 2H-GaN (0001)

    SciTech Connect

    King, Sean W.; Nemanich, Robert J.; Davis, Robert F.

    2014-08-25

    In order to understand and predict the behavior of future scandium nitride (ScN) semiconductor heterostructure devices, we have utilized in situ x-ray and ultra-violet photoelectron spectroscopy to determine the valence band offset (VBO) present at ScN/3C-SiC (111) and 2H-GaN (0001)/ScN (111) interfaces formed by ammonia gas source molecular beam epitaxy. The ScN/3C-SiC (111) VBO was dependent on the ScN growth temperature and resistivity. VBOs of 0.4 ± 0.1 and 0.1 ± 0.1 eV were, respectively, determined for ScN grown at 925 °C (low resistivity) and 800 °C (high resistivity). Using the band-gaps of 1.6 ± 0.2 and 1.4 ± 0.2 eV previously determined by reflection electron energy loss spectroscopy for the 925 and 800 °C ScN films, the respective conduction band offsets (CBO) for these interfaces were 0.4 ± 0.2 and 0.9 ± 0.2 eV. For a GaN (0001) interface with 925 °C ScN (111), the VBO and CBO were similarly determined to be 0.9 ± 0.1 and 0.9 ± 0.2 eV, respectively.

  9. N2 positive and N2/+/ band systems and the energy spectra of auroral electrons.

    NASA Technical Reports Server (NTRS)

    Shemansky, D. E.; Donahue, T. M.; Zipf, E. C., Jr.

    1972-01-01

    Use of the relative emission rates of the auroral N2 positive and N2(+) band systems to limit the permissible range of differential electron fluxes in auroras, due to remarkable differences in electron excitation functions for the two kinds of systems. Use of recently measured electron cross sections and many observational data from ground based and rocket studies shows that the results are consistent with spectra equivalent to a power law E to the minus 1.4 power for primaries and secondaries combined. The unified primary spectra of Rees (1969) and secondary spectra of Rees et al. (1969) fail seriously to predict the optical ratios. It is shown that Rees' primary spectrum is deficient in slow primaries, owing to the use of defective Monte Carlo results of Maeda (1965). Doubt is thereby cast on the validity of experimental results for the differential spectrum below 50 eV reported by Feldman et al. (1971) because of the rapid decrease in flux with energy shown by those measurements.

  10. Band gap engineering and \\vec{k}\\cdot \\vec{\\pi } electronic structure of lead and tin tellurides

    NASA Astrophysics Data System (ADS)

    Behera, S. S.; Tripathi, G. S.

    2016-06-01

    We study the effect of the variation of energy gap on the k\\cdot π electronic structure of PbTe and SnTe, using a six-level basis at the L point. The basis functions in both the systems have the same transformation properties. However, the basis functions of the band edge states in SnTe are reversed with respect to the same in PbTe. Band dispersions are obtained analytically for a two band model. As the band gap decreases, the bands become linear. Far bands are included in the electronic dispersion, using perturbation theory. Fermi energy and the Density of States at the Fermi energy, { D }({\\varepsilon }F), are calculated for different carrier concentrations and energy gaps through a self-consistent approach. Interesting results are seen when the energy gap is reduced from the respective equilibrium values. For both the systems, the Fermi energy increases as the gap is decreased. The behavior of { D }({\\varepsilon }F) is, however, different. It decreases with the gap. It is also on expected lines. Calculated values of the electronic effective mass, as a function of temperature, energy gap and carrier concentration, are compared with previously published data. As distinguished from a first principles calculation, the work has focused on the carrier dependent electronic parameters for use both by theorists and experimenters as well.

  11. Electronically conducting metal oxide nanoparticles and films for optical sensing applications

    DOEpatents

    Ohodnicki, Jr., Paul R.; Wang, Congjun; Andio, Mark A

    2014-09-16

    The disclosure relates to a method of detecting a change in a chemical composition by contacting a conducting oxide material with a monitored stream, illuminating the conducting oxide material with incident light, collecting exiting light, monitoring an optical signal based on a comparison of the incident light and the exiting light, and detecting a shift in the optical signal. The conducting metal oxide has a carrier concentration of at least 10.sup.17/cm.sup.3, a bandgap of at least 2 eV, and an electronic conductivity of at least 10.sup.-1 S/cm, where parameters are specified at the gas stream temperature. The optical response of the conducting oxide materials is proposed to result from the high carrier concentration and electronic conductivity of the conducting metal oxide, and the resulting impact of changing gas atmospheres on that relatively high carrier concentration and electronic conductivity. These changes in effective carrier densities and electronic conductivity of conducting metal oxide films and nanoparticles are postulated to be responsible for the change in measured optical absorption associated with free carriers. Exemplary conducting metal oxides include but are not limited to Al-doped ZnO, Sn-doped In.sub.2O.sub.3, Nb-doped TiO.sub.2, and F-doped SnO.sub.2.

  12. Attosecond band-gap dynamics in silicon

    NASA Astrophysics Data System (ADS)

    Schultze, Martin; Ramasesha, Krupa; Pemmaraju, C. D.; Sato, S. A.; Whitmore, D.; Gandman, A.; Prell, James S.; Borja, L. J.; Prendergast, D.; Yabana, K.; Neumark, Daniel M.; Leone, Stephen R.

    2014-12-01

    Electron transfer from valence to conduction band states in semiconductors is the basis of modern electronics. Here, attosecond extreme ultraviolet (XUV) spectroscopy is used to resolve this process in silicon in real time. Electrons injected into the conduction band by few-cycle laser pulses alter the silicon XUV absorption spectrum in sharp steps synchronized with the laser electric field oscillations. The observed ~450-attosecond step rise time provides an upper limit for the carrier-induced band-gap reduction and the electron-electron scattering time in the conduction band. This electronic response is separated from the subsequent band-gap modifications due to lattice motion, which occurs on a time scale of 60 ± 10 femtoseconds, characteristic of the fastest optical phonon. Quantum dynamical simulations interpret the carrier injection step as light-field-induced electron tunneling.

  13. Wide Band-Gap Bismuth-based p-Dopants for Opto-Electronic Applications.

    PubMed

    Pecqueur, Sébastien; Maltenberger, Anna; Petrukhina, Marina A; Halik, Marcus; Jaeger, Arndt; Pentlehner, Dominik; Schmid, Günter

    2016-08-22

    Ten new efficient p-dopants for conductivity doping of organic semiconductors for OLEDs are identified. The key advantage of the electrophilic tris(carboxylato) bismuth(III) compounds is the unique low absorption of the resulting doped layers which promotes the efficiency of OLED devices. The combination of these features with their low fabrication cost, volatility, and stability, make these materials very attractive as dopants in organic electronics. PMID:27440434

  14. Electronic absorption band broadening and surface roughening of phthalocyanine double layers by saturated solvent vapor treatment

    SciTech Connect

    Kim, Jinhyun; Yim, Sanggyu

    2012-10-15

    Variations in the electronic absorption (EA) and surface morphology of three types of phthalocyanine (Pc) thin film systems, i.e. copper phthalocyanine (CuPc) single layer, zinc phthalocyanine (ZnPc) single layer, and ZnPc on CuPc (CuPc/ZnPc) double layer film, treated with saturated acetone vapor were investigated. For the treated CuPc single layer film, the surface roughness slightly increased and bundles of nanorods were formed, while the EA varied little. In contrast, for the ZnPc single layer film, the relatively high solubility of ZnPc led to a considerable shift in the absorption bands as well as a large increase in the surface roughness and formation of long and wide nano-beams, indicating a part of the ZnPc molecules dissolved in acetone, which altered their molecular stacking. For the CuPc/ZnPc film, the saturated acetone vapor treatment resulted in morphological changes in mainly the upper ZnPc layer due to the significantly low solubility of the underlying CuPc layer. The treatment also broadened the EA band, which involved a combination of unchanged CuPc and changed ZnPc absorption.

  15. Correlating structure and electronic band-edge properties in organolead halide perovskites nanoparticles.

    PubMed

    Zhu, Qiushi; Zheng, Kaibo; Abdellah, Mohamed; Generalov, Alexander; Haase, Dörthe; Carlson, Stefan; Niu, Yuran; Heimdal, Jimmy; Engdahl, Anders; Messing, Maria E; Pullerits, Tonu; Canton, Sophie E

    2016-06-01

    After having emerged as primary contenders in the race for highly efficient optoelectronics materials, organolead halide perovskites (OHLP) are now being investigated in the nanoscale regime as promising building blocks with unique properties. For example, unlike their bulk counterpart, quantum dots of OHLP are brightly luminescent, owing to large exciton binding energies that cannot be rationalized solely on the basis of quantum confinement. Here, we establish the direct correlation between the structure and the electronic band-edge properties of CH3NH3PbBr3 nanoparticles. Complementary structural and spectroscopic measurements probing long-range and local order reveal that lattice strain influences the nature of the valence band and modifies the subtle stereochemical activity of the Pb(2+) lone-pair. More generally, this work demonstrates that the stereochemical activity of the lone-pair at the metal site is a specific physicochemical parameter coupled to composition, size and strain, which can be employed to engineer novel functionalities in OHLP nanomaterials. PMID:27189431

  16. A Ku band 5 bit MEMS phase shifter for active electronically steerable phased array applications

    NASA Astrophysics Data System (ADS)

    Sharma, Anesh K.; Gautam, Ashu K.; Farinelli, Paola; Dutta, Asudeb; Singh, S. G.

    2015-03-01

    The design, fabrication and measurement of a 5 bit Ku band MEMS phase shifter in different configurations, i.e. a coplanar waveguide and microstrip, are presented in this work. The development architecture is based on the hybrid approach of switched and loaded line topologies. All the switches are monolithically manufactured on a 200 µm high resistivity silicon substrate using 4 inch diameter wafers. The first three bits (180°, 90° and 45°) are realized using switched microstrip lines and series ohmic MEMS switches whereas the fourth and fifth bits (22.5° and 11.25°) consist of microstrip line sections loaded by shunt ohmic MEMS devices. Individual bits are fabricated and evaluated for performance and the monolithic device is a 5 bit Ku band (16-18 GHz) phase shifter with very low average insertion loss of the order of 3.3 dB and a return loss better than 15 dB over the 32 states with a chip area of 44 mm2. A total phase shift of 348.75° with phase accuracy within 3° is achieved over all of the states. The performance of individual bits has been optimized in order to achieve an integrated performance so that they can be implemented into active electronically steerable antennas for phased array applications.

  17. Application of ionic and electronic conducting ceramics in solid oxide fuel cells

    SciTech Connect

    Singhal, S.C.

    1997-12-01

    Solid oxide fuel cells (SOFCs) offer a pollution-free technology to electrochemically generate electricity at high efficiencies. These fuel cells consist of an oxygen ion conducting electrolyte, electronic or mixed electronic and ionic conducting electrodes, and an electronic conducting interconnection. This paper reviews the ceramic materials used for the different cell components, and discusses the performance of cells fabricated using these materials. The paper also discusses the materials and processing studies that are underway to reduce the cell cost, and summarizes the recently built power generation systems that employed state-of-the-art SOFCs.

  18. Features of the band structure and conduction mechanisms in the n-HfNiSn semiconductor heavily doped with Ru

    SciTech Connect

    Romaka, V. A.; Rogl, P.; Romaka, V. V.; Stadnyk, Yu. V.; Korzh, R. O.; Krayovskyy, V. Ya.; Horyn, A. M.

    2014-12-15

    The crystal and electronic structure and energy and kinetic properties of the n-HfNiSn semiconductor heavily doped with a Ru acceptor impurity are investigated in the temperature and Ru concentration ranges T = 80–400 K and N{sub A}{sup Ru} ≈ 9.5 × 10{sup 19}−5.7 × 10{sup 20} cm{sup −3} (x = 0–0.03), respectively. The mechanism of structural-defect generation is established, which changes the band gap and degree of compensation of the semiconductor and consists in the simultaneous concentration reduction and elimination of donor structural defects by means of the displacement of ∼1% of Ni atoms from the Hf (4a) positions, the generation of acceptor structural defects upon the substitution of Ru atoms for Ni atoms in the 4c positions, and the generation of donor defects in the form of vacancies in the Sn (4b) positions. The calculated electronic structure of HfNi{sub 1−x}Ru{sub x}Sn is consistent with the experiment. The results obtained are discussed within the Shklovsky-Efros model for a heavily doped and compensated semiconductor.

  19. Features of the band structure and conduction mechanisms of n-HfNiSn semiconductor heavily Lu-doped

    SciTech Connect

    Romaka, V. A.; Rogl, P.; Romaka, V. V.; Kaczorowski, D.; Stadnyk, Yu. V.; Korzh, R. O.; Krayovskyy, V. Ya.; Kovbasyuk, T. M.

    2015-03-15

    The crystal and electronic structures, energy, kinetic, and magnetic characteristics of n-HfNiSn semiconductor heavily doped with a Lu acceptor impurity in the ranges T = 80–400 K and N{sub A}{sup Lu} ≈ 1.9 × 10{sup 20}−1.9 × 10{sup 21} cm{sup −3} (x = 0.01–0.10) at H ≤ 10 kG is studied. The nature of the structural-defect generation mechanism leading to changes in the band gap and the degree of semiconductor compensation is determined. Its essence is the simultaneous reduction and elimination of donor-type structural defects due to the displacement of ∼1% of Ni atoms from the Hf (4a) site, the generation of acceptor-type structural defects by substituting Ni atoms with Lu atoms at the 4c site, and the generation of donor-type defects such as vacancies at the Sn (4b) site. The results of calculations of the electronic structure of Hf{sub 1−x}Lu{sub x}NiSn are in agreement with experimental data. The results are discussed within the model of a heavily doped and compensated Shklovskii-Efros semiconductor.

  20. Temperature dependence of Q-band electron paramagnetic resonance spectra of nitrosyl heme proteins.

    PubMed Central

    Flores, M; Wajnberg, E; Bemski, G

    1997-01-01

    The Q-band (35 GHz) electron paramagnetic resonance (EPR) spectra of nitrosyl hemoglobin (HbNO) and nitrosyl myoglobin (MbNO) were studied as a function of temperature between 19 K and 200 K. The spectra of both heme proteins show two classes of variations as a function of temperature. The first one has previously been associated with the existence of two paramagnetic species, one with rhombic and the other with axial symmetry. The second one manifests itself in changes in the g-factors and linewidths of each species. These changes are correlated with the conformational substates model and associate the variations of g-values with changes in the angle of the N(his)-Fe-N(NO) bond in the rhombic species and with changes in the distance between Fe and N of the proximal (F8) histidine in the axial species. PMID:9414233

  1. Pressure effect on electronic band structures of NiAs-type chromium chalcogenides

    NASA Astrophysics Data System (ADS)

    Takagaki, M.; Kawakami, T.; Shirai, M.; Motizuki, K.

    1998-01-01

    Pressure influence on the electronic band structure of NiAs-type CrTe is studied for non-magnetic and ferromagnetic states by using a self-consistent LAPW method. The total energy is calculated as a function of the lattice spacing a, keeping the ratio c/a as the observed value. The ferromagnetic state is found to be always stable energetically. For the ferromagnetic state, which is realized below T C = 340 K, the theoretical lattice spacing a is obtained as 4.18 Å, which agrees fairly well with the observed one. The magnetic moment arises from mainly the Cr-site and it is remarkably reduced by the pressure as observed. A small magnetic moment is induced at Te-site in the direction antiparallel to the moment at the Cr-site.

  2. Pressure-induced transition from localized electron toward band antiferromagnetism in LaMnO(3).

    PubMed

    Zhou, J-S; Goodenough, J B

    2002-08-19

    The temperature dependence of the ac susceptibility under pressure has been used to track the Néel temperature T(N) of the Mott insulators LaMnO3, CaMnO3, and YCrO3. Bloch's rule relating T(N) to volume V, viz., alpha=dlog(T(N)/dlog(V=-3.3, is obeyed in YCrO3 and CaMnO3; it fails in LaMnO3. This breakdown is interpreted to be due to a sharp increase in the factor [U(-1)+(2Delta)(-1)] entering the superexchange perturbation formula. A first-order change at 7 kbar indicates that the transition from localized-electron to band magnetism is not smooth.

  3. Phase-operation for conduction electron by atomic-scale scattering via single point-defect

    SciTech Connect

    Nagaoka, Katsumi Yaginuma, Shin; Nakayama, Tomonobu

    2014-03-17

    In order to propose a phase-operation technique for conduction electrons in solid, we have investigated, using scanning tunneling microscopy, an atomic-scale electron-scattering phenomenon on a 2D subband state formed in Si. Particularly, we have noticed a single surface point-defect around which a standing-wave pattern created, and a dispersion of scattering phase-shifts by the defect-potential against electron-energy has been measured. The behavior is well-explained with appropriate scattering parameters: the potential height and radius. This result experimentally proves that the atomic-scale potential scattering via the point defect enables phase-operation for conduction electrons.

  4. Physical properties and electronic band structure of noncentrosymmetric Th7Co3 superconductor

    NASA Astrophysics Data System (ADS)

    Sahakyan, M.; Tran, V. H.

    2016-05-01

    The physical properties of the noncentrosymmetric superconductor Th7Co3 have been investigated by means of ac-magnetic susceptibility, magnetization, specific heat, electrical resistivity, magnetoresistance and Hall effect measurements. From these data it is established that Th7Co3 is a dirty type-II superconductor with {{T}\\text{c}}=1.8+/- 0.02 K, Hc2\\text{orb}<{{H}c2}(0)˜ 10~\\text{kOe}c2p and moderate electron-phonon coupling {λ\\text{el-\\text{ph}}}=0.56 . Some evidences for anisotropic superconducting gap are found, including e.g. reduced specific heat jump (Δ {{C}p}/γ {{T}\\text{c}}=1.01 ) at T c, diminished superconducting energy gap ({{Δ }0}/{{k}\\text{B}}{{T}\\text{c}}=2.17 ) as compared to the BCS values, power law field dependence of the Sommerfeld coefficient at 0.4 K ({{C}p}/T\\propto {{H}0.6} ), and a concave curvature of the {{H}c2}≤ft({{T}\\text{c}}\\right) line. The magnitudes of the thermodynamic critical field and the energy gap are consistent with mean-squared anisotropy parameter < {{a}2}> ˜ 0.23 . The electronic specific heat in the superconducting state is reasonably fitted to an oblate spheroidal gap model. Calculations of scalar relativistic and fully relativistic electronic band structures reveal considerable differences in the degenerate structure, resulting from asymmetric spin-orbit coupling (ASOC). A large splitting energy of spin-up spin-down bands at the Fermi level E F, Δ {{E}\\text{ASOC}}˜ 100 meV is observed and a sizeable ratio Δ {{E}\\text{ASOC}}/{{k}\\text{B}}{{T}\\text{c}}˜ 640 could classify the studied compound into the class of noncentrosymmetric superconductors with strong ASOC. The noncentrosymmetry of the crystal structure and the atomic relativistic effects are both responsible for an importance of ASOC in Th7Co3. The calculated results for the density of states show a Van Hove singularity just below E F and dominant role of the 6d electrons of Th to the superconductivity.

  5. Electronic structure of Pt based topological Heusler compounds with C1{sub b} structure and 'zero band gap'

    SciTech Connect

    Ouardi, Siham; Shekhar, Chandra; Fecher, Gerhard H.; Kozina, Xeniya; Stryganyuk, Gregory; Felser, Claudia; Ueda, Shigenori; Kobayashi, Keisuke

    2011-05-23

    Besides of their well-known wide range of properties it was recently shown that many of the heavy Heusler semiconductors with 1:1:1 composition and C1{sub b} structure exhibit a zero band gap behavior and are topological insulators induced by their inverted band structure. In the present study, the electronic structure of the Heusler compounds PtYSb and PtLaBi was investigated by bulk sensitive hard x-ray photoelectron spectroscopy. The measured valence band spectra are clearly resolved and in well agreement to the first-principles calculations of the electronic structure of the compounds. The experimental results give clear evidence for the zero band gap state.

  6. Electronic Energy Band and Transport Properties in Monolayer Graphene with Periodically Modulated Magnetic Vector Potential and Electrostatic Potential

    NASA Astrophysics Data System (ADS)

    Liu, Zheng-Fang; Wu, Qing-Ping; Liu, Nian-Hua

    2012-02-01

    We investigated the electronic energy band and transport features of graphene superlattice with periodically modulated magnetic vector potential and electrostatic potential. It is found that both parallel magnetic vector potential and electrostatic potential can decisively shift Dirac point in a different way, which may be an efficient way to achieve electron or hole filter. We also find that applying modulated parallel and anti-parallel magnetic vector potential to the electrons can efficiently change electronic states between pass and stop states, which can be useful in designing electron or hole switches and lead to large magneto-resistance.

  7. Note: radio frequency inductance-capacitance band-stop filter circuit to perform contactless conductivity measurements in pulsed magnetic fields.

    PubMed

    Altarawneh, M M

    2012-09-01

    We present a new technique to perform radio frequency (rf) contactless conductivity measurements in pulsed magnetic fields to probe different ground states in condensed matter physics. The new method utilizes a simple analog band-stop filter circuit implemented in a radio frequency transmission setup to perform contactless conductivity measurements. The new method is more sensitive than the other methods (e.g., the tunnel diode oscillator and the proximity detector oscillator) due to more sensitive dependence of the circuit resonance frequency on the tank circuit inductance (not the transmission line). More important, the new method is more robust than other methods when used to perform measurements in very high magnetic fields, works for a wide range of temperatures (i.e., 300 K-1.4 K) and is less sensitive to noise and mechanical vibrations during pulse magnet operation. The new technique was successfully applied to measure the Shubnikov-de Haas effect in Bi(2)Se(3) in pulsed magnetic fields of up to 60 T.

  8. Band Degeneracy, Low Thermal Conductivity, and High Thermoelectric Figure of Merit in SnTe-CaTe Alloys

    NASA Astrophysics Data System (ADS)

    Al Rahal Al Orabi, R.; Mecholsky, N.; Hwang, J. P.; Kim, W.; Rhyee, J. S.; Wee, D.; Fornari, M.

    Pure lead-free SnTe has limited thermoelectric potentials because of the low Seebeck coeffcients and the relatively large thermal conductivity. In this study, we provide experimental evidence and theoretical understanding that alloying SnTe with Ca greatly improves the transport properties leading to ZT of 1.35 at 873 K, the highest ZT value so far reported for singly doped SnTe materials. The introduction of Ca (0-9%) in SnTe induces multiple effects: (1) Ca replaces Sn and reduces the hole concentration due to Sn vacancies, (2) the energy gap increases limiting the bipolar transport, (3) several bands with larger effective masses become active in transport, and (4) the lattice thermal conductivity is reduced of about 70% due to the contribution of concomitant scattering terms associated with the alloy disorder and the presence of nanoscale precipitates. An effciency of 10% (for ΔT = 400 K) was predicted for high temperature thermoelectric power generation using SnTe-based n- and p-type materials.

  9. Ultrafast spectroscopic measurement of the optical and electronic properties of narrow-band-gap semiconductor laser materials

    NASA Astrophysics Data System (ADS)

    Anson, Scott Allen

    1999-12-01

    Semiconductor lasers operating in the mid-infrared region of the spectrum (2-5 μm) are of interest for a variety of potential applications and therefore are currently the focus of intense research and development. One of the main impediments to the development of these lasers is a non-radiative loss process know as Auger recombination. It is this loss mechanism that leads to the relatively low temperature operation of these lasers. In addition to Auger recombination, there is an interest in suppressing laser which can lead to the degradation and catastrophic failure of devices at high output powers. The tendency for filament formation is suppressed in materials with small linewidth enhancement factors. To improve the performance of these semiconductor lasers, band structure engineering techniques have been employed to the design of narrow band-gap III-V semiconductor active regions based on GaInSb/InAs superlattices. These superlattice structures are designed to have favorable material properties that allow for the suppression of Auger recombination and a reduction of the linewidth enhancement factor. In addition to Auger recombination and the linewidth enhancement factor, a number of other optical and electronic properties in these superlattice structures are also of interest, including the differential gain, differential index, Shockley-Read-Hall recombination, and in-plane carrier diffusion. In this dissertation measurements of the optical and electronic properties in these structures conducted using two ultrafast spectroscopic techniques, time-resolved differential transmission and photogenerated transient grating is discussed. These ultrafast spectroscopic measurements are performed using 140 fs pump pulses from a mode-locked Ti:sapphire laser operating at 840 nm and 170 fs probe pulses from a synchronously-pumped optical parametric oscillator which is tunable between 2.65 to 4.4 μm. The measurements show that these superlattices have favorable material

  10. Conditions for Aeronomic Applicability of the Classical Electron Heat Conduction Formula

    NASA Technical Reports Server (NTRS)

    Cole, K. D.; Hoegy, W. R.

    1998-01-01

    Conditions for the applicability of the classical formula for heat conduction in the electrons in ionized gas are investigated. In a fully ionised gas ( V(sub en) much greater than V(sub ei)), when the mean free path for electron-electron (or electron-ion) collisions is much larger than the characteristic thermal scale length of the observed system, the conditions for applicability break down. In the case of the Venus ionosphere this breakdown is indicated for a large fraction of the electron temperature data from altitudes greater than 180 km, for electron densities less than 10(exp 4)/cc cm. In a partially ionised gas such that V(sub en) much greater than V(sub ei) there is breakdown of the formula not only when the mean free path of electrons greatly exceeds the thermal scale length, but also when the gradient of neutral particle density exceeds the electron thermal gradient. It is shown that electron heat conduction may be neglected in estimating the temperature of joule heated electrons by observed strong 100 Hz electric fields when the conduction flux is limited by the saturation flux. The results of this paper support our earlier aeronomical arguments against the hypothesis of planetary scale whistlers for the 100 Hz electric field signal. In turn this means that data from the 100 Hz signal may not be used to support the case for lightning on Venus.

  11. Band anticrossing in dilute nitrides

    SciTech Connect

    Shan, W.; Yu, K.M.; Walukiewicz, W.; Wu, J.; Ager III, J.W.; Haller, E.E.

    2003-12-23

    Alloying III-V compounds with small amounts of nitrogen leads to dramatic reduction of the fundamental band-gap energy in the resulting dilute nitride alloys. The effect originates from an anti-crossing interaction between the extended conduction-band states and localized N states. The interaction splits the conduction band into two nonparabolic subbands. The downward shift of the lower conduction subband edge is responsible for the N-induced reduction of the fundamental band-gap energy. The changes in the conduction band structure result in significant increase in electron effective mass and decrease in the electron mobility, and lead to a large enhance of the maximum doping level in GaInNAs doped with group VI donors. In addition, a striking asymmetry in the electrical activation of group IV and group VI donors can be attributed to mutual passivation process through formation of the nearest neighbor group-IV donor nitrogen pairs.

  12. Electronic Band Structures of the Highly Desirable III-V Semiconductors: TB-mBJ DFT Studies

    NASA Astrophysics Data System (ADS)

    Rehman, Gul; Shafiq, M.; Saifullah; Ahmad, Rashid; Jalali-Asadabadi, S.; Maqbool, M.; Khan, Imad; Rahnamaye-Aliabad, H.; Ahmad, Iftikhar

    2016-07-01

    The correct band gaps of semiconductors are highly desirable for their effective use in optoelectronic and other photonic devices. However, the experimental and theoretical results of the exact band gaps are quite challenging and sometimes tricky. In this article, we explore the electronic band structures of the highly desirable optical materials, III-V semiconductors. The main reason of the ineffectiveness of the theoretical band gaps of these compounds is their mixed bonding character, where large proportions of electrons reside outside atomic spheres in the intestinal regions, which are challenging for proper theoretical treatment. In this article, the band gaps of the compounds are revisited and successfully reproduced by properly treating the density of electrons using the recently developed non-regular Tran and Blaha's modified Becke-Johnson (nTB-mBJ) approach. This study additionally suggests that this theoretical scheme could also be useful for the band gap engineering of the III-V semiconductors. Furthermore, the optical properties of these compounds are also calculated and compared with the experimental results.

  13. Thermal Conductivity in Nanoporous Gold Films during Electron-Phonon Nonequilibrium

    DOE PAGES

    Hopkins, Patrick E.; Norris, Pamela M.; Phinney, Leslie M.; Policastro, Steven A.; Kelly, Robert G.

    2008-01-01

    The reduction of nanodevices has given recent attention to nanoporous materials due to their structure and geometry. However, the thermophysical properties of these materials are relatively unknown. In this article, an expression for thermal conductivity of nanoporous structures is derived based on the assumption that the finite size of the ligaments leads to electron-ligament wall scattering. This expression is then used to analyze the thermal conductivity of nanoporous structures in the event of electron-phonon nonequilibrium.

  14. Experimental and theoretical investigations of the electronic band structure of metal-organic frameworks of HKUST-1 type

    SciTech Connect

    Gu, Zhi-Gang; Heinke, Lars Wöll, Christof; Neumann, Tobias; Wenzel, Wolfgang; Li, Qiang; Fink, Karin; Gordan, Ovidiu D.; Zahn, Dietrich R. T.

    2015-11-02

    The electronic properties of metal-organic frameworks (MOFs) are increasingly attracting the attention due to potential applications in sensor techniques and (micro-) electronic engineering, for instance, as low-k-dielectric in semiconductor technology. Here, the band gap and the band structure of MOFs of type HKUST-1 are studied in detail by means of spectroscopic ellipsometry applied to thin surface-mounted MOF films and by means of quantum chemical calculations. The analysis of the density of states, the band structure, and the excitation spectrum reveal the importance of the empty Cu-3d orbitals for the electronic properties of HKUST-1. This study shows that, in contrast to common belief, even in the case of this fairly “simple” MOF, the excitation spectra cannot be explained by a superposition of “intra-unit” excitations within the individual building blocks. Instead, “inter-unit” excitations also have to be considered.

  15. Development of novel semi-conducting ortho-carborane based polymer films: Enhanced electronic and chemical properties

    NASA Astrophysics Data System (ADS)

    Pasquale, Frank L.

    A novel class of semi-conducting ortho-carborane (B 10C2H12) based polymer films with enhanced electronic and chemical properties has been developed. The novel films are formed from electron-beam cross-linking of condensed B10C2H 12 and B10C2H12 co-condensed with aromatic linking units (Y) (Y=1,4-diaminobenzene (DAB), benzene (BNZ) and pyridine (PY)) at 110 K. The bonding and electronic properties of the novel films were investigated using X-ray photoelectron spectroscopy (XPS), UV photoelectron spectroscopy (UPS) and Mulliken charge analysis using density functional theory (DFT). These films exhibit site-specific cross-linking with bonding, in the pure B10C2HX films, occurring at B sites non-adjacent to C in the B10C2H12 icosahedra. The B10C2H12:Y films exhibit the same phenomena, with cross-linking that creates bonds primarily between B sites non-adjacent to C in the B10C2H12 icosahedra to C sites in the Y linking units. These novel B10C2HX: Y linked films exhibit significantly different electron structure when compared to pure B10C2HX films as seen in the UPS spectra. The valence band maxima (VBM) shift from - 4.3 eV below the Fermi level for pure B10C2HX to -2.6, -2.2, and -1.7 for B10C2HX:BNZ, B10C 2HX:PY, and B10C2HX:DAB, respectively. The top of the valence band is composed of states derived primarily from the Y linking units, suggesting that the bottom of the conduction band is composed of states primarily from B10C2H12. Consequently these B10C2HX:Y films may exhibit longer electron-hole separation lifetimes as compared to pure B10C 2HX films. This research should lead to an enhancement of boron carbide based neutron detectors, and is of potential significance for microelectronics, spintronics and photo-catalysis.

  16. The electronic band structures of gadolinium chalcogenides: a first-principles prediction for neutron detecting.

    PubMed

    Li, Kexue; Liu, Lei; Yu, Peter Y; Chen, Xiaobo; Shen, D Z

    2016-05-11

    By converting the energy of nuclear radiation to excited electrons and holes, semiconductor detectors have provided a highly efficient way for detecting them, such as photons or charged particles. However, for detecting the radiated neutrons, those conventional semiconductors hardly behave well, as few of them possess enough capability for capturing these neutral particles. While the element Gd has the highest nuclear cross section, here for searching proper neutron-detecting semiconductors, we investigate theoretically the Gd chalcogenides whose electronic band structures have never been characterized clearly. Among them, we identify that γ-phase Gd2Se3 should be the best candidate for neutron detecting since it possesses not only the right bandgap of 1.76 eV for devices working under room temperature but also the desired indirect gap nature for charge carriers surviving longer. We propose further that semiconductor neutron detectors with single-neutron sensitivity can be realized with such a Gd-chalcogenide on the condition that their crystals can be grown with good quality. PMID:27049355

  17. The electronic band structures of gadolinium chalcogenides: a first-principles prediction for neutron detecting

    NASA Astrophysics Data System (ADS)

    Li, Kexue; Liu, Lei; Yu, Peter Y.; Chen, Xiaobo; Shen, D. Z.

    2016-05-01

    By converting the energy of nuclear radiation to excited electrons and holes, semiconductor detectors have provided a highly efficient way for detecting them, such as photons or charged particles. However, for detecting the radiated neutrons, those conventional semiconductors hardly behave well, as few of them possess enough capability for capturing these neutral particles. While the element Gd has the highest nuclear cross section, here for searching proper neutron-detecting semiconductors, we investigate theoretically the Gd chalcogenides whose electronic band structures have never been characterized clearly. Among them, we identify that γ-phase Gd2Se3 should be the best candidate for neutron detecting since it possesses not only the right bandgap of 1.76 eV for devices working under room temperature but also the desired indirect gap nature for charge carriers surviving longer. We propose further that semiconductor neutron detectors with single-neutron sensitivity can be realized with such a Gd-chalcogenide on the condition that their crystals can be grown with good quality.

  18. Longitudinal spin relaxation of donor-bound electrons in direct band-gap semiconductors

    NASA Astrophysics Data System (ADS)

    Linpeng, Xiayu; Karin, Todd; Durnev, M. V.; Barbour, Russell; Glazov, M. M.; Sherman, E. Ya.; Watkins, S. P.; Seto, Satoru; Fu, Kai-Mei C.

    2016-09-01

    We measure the donor-bound electron longitudinal spin-relaxation time (T1) as a function of magnetic field (B ) in three high-purity direct band-gap semiconductors: GaAs, InP, and CdTe, observing a maximum T1 of 1.4, 0.4, and 1.2 ms, respectively. In GaAs and InP at low magnetic field, up to ˜2 T, the spin-relaxation mechanism is strongly density and temperature dependent and is attributed to the random precession of the electron spin in hyperfine fields caused by the lattice nuclear spins. In all three semiconductors at high magnetic field, we observe a power-law dependence T1∝B-ν with 3 ≲ν ≲4 . Our theory predicts that the direct spin-phonon interaction is important in all three materials in this regime in contrast to quantum dot structures. In addition, the "admixture" mechanism caused by Dresselhaus spin-orbit coupling combined with single-phonon processes has a comparable contribution in GaAs. We find excellent agreement between high-field theory and experiment for GaAs and CdTe with no free parameters, however a significant discrepancy exists for InP.

  19. Electronic Bands of ScC in the Region 620 - 720 NM

    NASA Astrophysics Data System (ADS)

    Chen, Chiao-Wei; Merer, Anthony; Hsu, Yen-Chu

    2016-06-01

    ScC molecules have been observed by laser-induced fluorescence, following the reaction of laser-ablated scandium metal with acetylene under supersonic jet-cooled conditions. Rotational analyses have been carried out for about 40 bands of Sc{}12C and Sc{}13C in the region 14000 - 16000 cm-1. Two lower states are found, with Ω = 3/2 and 5/2, indicating that the ground state is ^4Π_i or ^2Δ. As yet we cannot distinguish between these alternatives, but note that the ground state of the isoelectronic YC molecule is ^4Π_i. The ground state bond length in ScC is 1.95{}_5 Å, and the vibrational frequency is 712 cm-1. At least eight electronic transitions occur in the region studied, the majority obeying the selection rule ΔΩ = +1. Rotational perturbations are widespread, consistent with a high density of excited electronic states. B. Simard, P.A. Hackett and W.J. Balfour, Chem. Phys. Lett., 230, 103 (1994).

  20. Effect of electron temperature anisotropy on near-wall conductivity in Hall thrusters

    SciTech Connect

    Zhang, Fengkui E-mail: yudaren@hit.edu.cn; Kong, Lingyi; Zhang, Xueyi; Li, Wei; Yu, Daren E-mail: yudaren@hit.edu.cn

    2014-06-15

    The electron velocity distribution in Hall thrusters is anisotropic, which not only makes the sheath oscillate in time, but also causes the sheath to oscillate in space under the condition of low electron temperatures. The spatial oscillation sheath has a significant effect on near-wall transport current. In this Letter, the method of particle-in-cell (2D + 3 V) was adopted to simulate the effect of anisotropic electron temperatures on near-wall conductivity in a Hall thruster. Results show that the electron-wall collision frequency is within the same order in magnitude for both anisotropic and isotropic electron temperatures. The near-wall transport current produced by collisions between the electrons and the walls is much smaller than experimental measurements. However, under the condition of anisotropic electron temperatures, the non-collision transport current produced by slow electrons which reflected by the spatial oscillation sheath is much larger and closes to measurements.

  1. Valence and conduction band offsets at low-k a-SiO{sub x}C{sub y}:H/a-SiC{sub x}N{sub y}:H interfaces

    SciTech Connect

    King, Sean W. Brockman, Justin; French, Marc; Jaehnig, Milt; Kuhn, Markus; French, Benjamin

    2014-09-21

    In order to understand the fundamental electrical leakage and reliability failure mechanisms in nano-electronic low-k dielectric/metal interconnect structures, we have utilized x-ray photoelectron spectroscopy and reflection electron energy loss spectroscopy to determine the valence and conduction band offsets present at interfaces between non-porous and porous low-k a-SiO{sub x}C{sub y}:H interlayer dielectrics and a-SiC{sub x}N{sub y}:H metal capping layers. The valence band offset for such interfaces was determined to be 2.7±0.2 eV and weakly dependent on the a-SiOC:H porosity. The corresponding conduction band offset was determined to be 2.1±0.2 eV. The large band offsets indicate that intra metal layer leakage is likely dominated by defects and trap states in the a-SiOC:H and a-SiCN:H dielectrics.

  2. Physical properties and electronic band structure of noncentrosymmetric Th7Co3 superconductor

    NASA Astrophysics Data System (ADS)

    Sahakyan, M.; Tran, V. H.

    2016-05-01

    The physical properties of the noncentrosymmetric superconductor Th7Co3 have been investigated by means of ac-magnetic susceptibility, magnetization, specific heat, electrical resistivity, magnetoresistance and Hall effect measurements. From these data it is established that Th7Co3 is a dirty type-II superconductor with {{T}\\text{c}}=1.8+/- 0.02 K, Hc2\\text{orb}<{{H}c2}(0)∼ 10~\\text{kOe}c2p and moderate electron–phonon coupling {λ\\text{el-\\text{ph}}}=0.56 . Some evidences for anisotropic superconducting gap are found, including e.g. reduced specific heat jump (Δ {{C}p}/γ {{T}\\text{c}}=1.01 ) at T c, diminished superconducting energy gap ({{Δ }0}/{{k}\\text{B}}{{T}\\text{c}}=2.17 ) as compared to the BCS values, power law field dependence of the Sommerfeld coefficient at 0.4 K ({{C}p}/T\\propto {{H}0.6} ), and a concave curvature of the {{H}c2}≤ft({{T}\\text{c}}\\right) line. The magnitudes of the thermodynamic critical field and the energy gap are consistent with mean-squared anisotropy parameter < {{a}2}> ∼ 0.23 . The electronic specific heat in the superconducting state is reasonably fitted to an oblate spheroidal gap model. Calculations of scalar relativistic and fully relativistic electronic band structures reveal considerable differences in the degenerate structure, resulting from asymmetric spin–orbit coupling (ASOC). A large splitting energy of spin-up spin-down bands at the Fermi level E F, Δ {{E}\\text{ASOC}}∼ 100 meV is observed and a sizeable ratio Δ {{E}\\text{ASOC}}/{{k}\\text{B}}{{T}\\text{c}}∼ 640 could classify the studied compound into the class of noncentrosymmetric superconductors with strong ASOC. The noncentrosymmetry of the crystal structure and the atomic relativistic effects are both responsible for an importance of ASOC in Th7Co3. The calculated results for the density of states show a Van Hove singularity just below E F and dominant role of the 6d electrons of Th to the superconductivity.

  3. Combined scattering loss of radiation belt relativistic electrons by simultaneous three-band EMIC waves: A case study

    NASA Astrophysics Data System (ADS)

    He, Fengming; Cao, Xing; Ni, Binbin; Xiang, Zheng; Zhou, Chen; Gu, Xudong; Zhao, Zhengyu; Shi, Run; Wang, Qi

    2016-05-01

    Multiband electromagnetic ion cyclotron (EMIC) waves can drive efficient scattering loss of radiation belt relativistic electrons. However, it is statistically uncommon to capture the three bands of EMIC waves concurrently. Utilizing data from the Electric and Magnetic Field Instrument Suite and Integrated Science magnetometer onboard Van Allen Probe A, we report the simultaneous presence of three (H+, He+, and O+) emission bands in an EMIC wave event, which provides an opportunity to look into the combined scattering effect of all EMIC emissions and the relative roles of each band in diffusing radiation belt relativistic electrons under realistic circumstances. Our quantitative results, obtained by quasi-linear diffusion rate computations and 1-D pure pitch angle diffusion simulations, demonstrate that the combined resonant scattering by the simultaneous three-band EMIC waves is overall dominated by He+ band wave diffusion, mainly due to its dominance over the wave power (the mean wave amplitudes are approximately 0.4 nT, 1.6 nT, and 0.15 nT for H+, He+, and O+ bands, respectively). Near the loss cone, while 2-3 MeV electrons undergo pitch angle scattering at a rate of the order of 10-6-10-5 s-1, 5-10 MeV electrons can be diffused more efficiently at a rate of the order of 10-3-10-2 s-1, which approaches the strong diffusion level and results in a moderately or heavily filled loss cone for the atmospheric loss. The corresponding electron loss timescales (i.e., lifetimes) vary from several days at the energies of ~2 MeV to less than 1 h at ~10 MeV. This case study indicates the leading contribution of He+ band waves to radiation belt relativistic electron losses during the coexistence of three EMIC wave bands and suggests that the roles of different EMIC wave bands in the relativistic electron dynamics should be carefully incorporated in future modeling efforts.

  4. First-principles theory of field-effect doping in transition-metal dichalcogenides: Structural properties, electronic structure, Hall coefficient, and electrical conductivity

    NASA Astrophysics Data System (ADS)

    Brumme, Thomas; Calandra, Matteo; Mauri, Francesco

    2015-04-01

    We investigate how field-effect doping affects the structural properties, the electronic structure, and the Hall coefficient of few-layers transition-metal dichalcogenides by using density-functional theory. We consider monolayers, bilayers, and trilayers of the H polytype of MoS2, MoSe2, MoTe2, WS2, and WSe2 and provide a full database of electronic structures and Hall coefficients for hole and electron doping. We find that, for both electron and hole doping, the electronic structure depends on the number of layers and cannot be described by a rigid band shift. Furthermore, it is important to relax the structure under the asymmetric electric field. Interestingly, while the width of the conducting channel depends on the doping, the number of occupied bands at each given k point is almost uncorrelated with the thickness of the doping-charge distribution. Finally, we calculate within the constant-relaxation-time approximation the electrical conductivity and the inverse Hall coefficient. We demonstrate that in some cases the charge determined by Hall-effect measurements can deviate from the real charge by up to 50%. For hole-doped MoTe2 the Hall charge has even the wrong polarity at low temperature. We provide the mapping between the doping charge and the Hall coefficient. We present more than 250 band structures for all doping levels of the transition-metal dichalcogenides considered within this work.

  5. Size effects in the conduction electron spin resonance of anthracite and higher anthraxolite.

    PubMed

    Tadyszak, Krzysztof; Strzelczyk, Roman; Coy, Emerson; Maćkowiak, Mariusz; Augustyniak-Jabłokow, Maria A

    2016-03-01

    Electron paramagnetic resonance spectroscopy of conduction electrons, i.e. Conduction Electron Spin Resonance (CESR), is a powerful tool for studies of carbon samples. Conductive samples cause additional effects in CESR spectra that influence the shape and intensity of the signals. In cases where conduction electrons play a dominant role, whilst the influence of localized paramagnetic centres is small or negligible, the effects because of the spins on conduction electrons will dominate the spectra. It has been shown that for some ratios of the bulk sample sizes (d) to the skin depth (δ), which depend on the electrical conductivity, additional size effects become visible in the line asymmetry parameter A/|B|, which is the ratio of the maximum to the absolute, minimum value of the resonance signal. To study these effects the electrical direct current-conductivity and CESR measurements are carried out for two amorphous bulk coal samples of anthracite and a higher anthraxolite. The observed effects are described and discussed in terms of the Dyson theory. Copyright © 2015 John Wiley & Sons, Ltd.

  6. The role of band alignment in p-type conductivity of Na-doped ZnMgO: Polar versus non-polar

    SciTech Connect

    Zhang, H. H.; Pan, X. H. E-mail: yezz@zju.edu.cn; Li, Y.; Ye, Z. Z. E-mail: yezz@zju.edu.cn; Lu, B.; Chen, W.; Huang, J. Y.; Ding, P.; Chen, S. S.; He, H. P.; Lu, J. G.; Chen, L. X.; Ye, C. L.

    2014-03-17

    We investigate the electrical properties of polar and non-polar ZnMgO:Na films that have been fabricated on c-plane and r-plane sapphire substrates using intervened ZnO layers (10–30 nm thick) by pulsed laser deposition. Hall-effect measurements indicate that the a-plane ZnMgO:Na film exhibits p-type conductivity with a carrier concentration of about 3.5 × 10{sup 16} cm{sup −3}, while the polar film shows a compensatory conductivity. Meanwhile, the dependence of the band alignment on the orientation of the ZnMgO/ZnO heterojunctions has been investigated using photoelectron spectroscopy. The heterojunctions form in the type-I straddling alignment with valence band offsets of 0.07 (0.02) eV for the (non-)polar heterojunction. The difference in valence band offsets is primarily attributed to the spontaneous polarization effect. We propose that the smaller valence band offsets and larger conduction band offsets would reduce the Na{sub Zn} acceptor level and enhance the relative intrinsic donor levels. Such effects consequently lead to p-type conductivity in non-polar ZnMgO:Na films. The band alignment of non-polar ZnMgO/ZnO can be used to facilitate p-type doping with a shallower acceptor state in the ZnO-like alloy.

  7. The cuprate superconductors: Narrow correlated-electron bands and interlayer pairing via plane-chain charge transfer

    NASA Astrophysics Data System (ADS)

    Ashkenazi, J.; Kuper, C. G.

    1989-12-01

    The cuprate superconductors are modelled by two metallic CuO 2planes, separated by insulating layers, in an extended Hubbard Hamiltonian. Hybridization of O(2 p) and Cu( d) orbitals splits the wide bands of LDA theory, yielding a narrow conduction band of antibonding holes. Holes on the two CuO 2 planes are correlated via interplane hopping, giving a non-magnetic normal Fermi liquid. Charge exchange between the planes and the intervening layers generates attraction and a BCS condensation.

  8. Preliminary design and optimization of a G-band extended interaction oscillator based on a pseudospark-sourced electron beam

    SciTech Connect

    Yin, Y. E-mail: yinyong@uestc.edu.cn; He, W.; Zhang, L.; Yin, H.; Cross, A. W.

    2015-07-15

    The design and simulation of a G-band extended interaction oscillator (EIO) driven by a pseudospark-sourced electron beam is presented. The characteristic of the EIO and the pseudospark-based electron beam were studied to enhance the performance of the newly proposed device. The beam-wave interaction of the EIO can be optimized by choosing a suitable pseudospark discharging voltage and by widening the operating voltage region of the EIO circuit. Simulation results show that a peak power of over 240 W can be achieved at G-band using a pseudospark discharge voltage of 41 kV.

  9. Thermal flux limited electron Kapitza conductance in copper-niobium multilayers

    SciTech Connect

    Cheaito, Ramez; Gaskins, John T.; Duda, John C.; Hopkins, Patrick E.; Hattar, Khalid; Beechem, Thomas E.; Ihlefeld, Jon F.; Piekos, Edward S.; Yadav, Ajay K.; Baldwin, Jon K.; Misra, Amit

    2015-03-02

    We study the interplay between the contributions of electron thermal flux and interface scattering to the Kapitza conductance across metal-metal interfaces through measurements of thermal conductivity of copper-niobium multilayers. Thermal conductivities of copper-niobium multilayer films of period thicknesses ranging from 5.4 to 96.2 nm and sample thicknesses ranging from 962 to 2677 nm are measured by time-domain thermoreflectance over a range of temperatures from 78 to 500 K. The Kapitza conductances between the Cu and Nb interfaces in multilayer films are determined from the thermal conductivities using a series resistor model and are in good agreement with the electron diffuse mismatch model. Our results for the thermal boundary conductance between Cu and Nb are compared to literature values for the thermal boundary conductance across Al-Cu and Pd-Ir interfaces, and demonstrate that the interface conductance in metallic systems is dictated by the temperature derivative of the electron energy flux in the metallic layers, rather than electron mean free path or scattering processes at the interface.

  10. Thermal flux limited electron Kapitza conductance in copper-niobium multilayers

    NASA Astrophysics Data System (ADS)

    Cheaito, Ramez; Hattar, Khalid; Gaskins, John T.; Yadav, Ajay K.; Duda, John C.; Beechem, Thomas E.; Ihlefeld, Jon F.; Piekos, Edward S.; Baldwin, Jon K.; Misra, Amit; Hopkins, Patrick E.

    2015-03-01

    We study the interplay between the contributions of electron thermal flux and interface scattering to the Kapitza conductance across metal-metal interfaces through measurements of thermal conductivity of copper-niobium multilayers. Thermal conductivities of copper-niobium multilayer films of period thicknesses ranging from 5.4 to 96.2 nm and sample thicknesses ranging from 962 to 2677 nm are measured by time-domain thermoreflectance over a range of temperatures from 78 to 500 K. The Kapitza conductances between the Cu and Nb interfaces in multilayer films are determined from the thermal conductivities using a series resistor model and are in good agreement with the electron diffuse mismatch model. Our results for the thermal boundary conductance between Cu and Nb are compared to literature values for the thermal boundary conductance across Al-Cu and Pd-Ir interfaces, and demonstrate that the interface conductance in metallic systems is dictated by the temperature derivative of the electron energy flux in the metallic layers, rather than electron mean free path or scattering processes at the interface.

  11. Thermal flux limited electron Kapitza conductance in copper-niobium multilayers

    SciTech Connect

    Cheaito, Ramez; Hattar, Khalid Mikhiel; Gaskins, John T.; Yadav, Ajay K.; Duda, John C.; Beechem, III, Thomas Edwin; Ihlefeld, Jon; Piekos, Edward S.; Baldwin, Jon K.; Misra, Amit; Hopkins, Patrick E.

    2015-03-05

    The interplay between the contributions of electron thermal flux and interface scattering to the Kapitza conductance across metal-metal interfaces through measurements of thermal conductivity of copper-niobium multilayers was studied. Thermal conductivities of copper-niobium multilayer films of period thicknesses ranging from 5.4 to 96.2 nm and sample thicknesses ranging from 962 to 2677 nm are measured by time-domain thermoreflectance over a range of temperatures from 78 to 500 K. The Kapitza conductances between the Cu and Nb interfaces in multilayer films are determined from the thermal conductivities using a series resistor model and are in good agreement with the electron diffuse mismatch model. The results for the thermal boundary conductance between Cu and Nb are compared to literature values for the thermal boundary conductance across Al-Cu and Pd-Ir interfaces, and demonstrate that the interface conductance in metallic systems is dictated by the temperature derivative of the electron energy flux in the metallic layers, rather than electron mean free path or scattering processes at the interface.

  12. Thermal flux limited electron Kapitza conductance in copper-niobium multilayers

    DOE PAGES

    Cheaito, Ramez; Hattar, Khalid Mikhiel; Gaskins, John T.; Yadav, Ajay K.; Duda, John C.; Beechem, III, Thomas Edwin; Ihlefeld, Jon; Piekos, Edward S.; Baldwin, Jon K.; Misra, Amit; et al

    2015-03-05

    The interplay between the contributions of electron thermal flux and interface scattering to the Kapitza conductance across metal-metal interfaces through measurements of thermal conductivity of copper-niobium multilayers was studied. Thermal conductivities of copper-niobium multilayer films of period thicknesses ranging from 5.4 to 96.2 nm and sample thicknesses ranging from 962 to 2677 nm are measured by time-domain thermoreflectance over a range of temperatures from 78 to 500 K. The Kapitza conductances between the Cu and Nb interfaces in multilayer films are determined from the thermal conductivities using a series resistor model and are in good agreement with the electron diffusemore » mismatch model. The results for the thermal boundary conductance between Cu and Nb are compared to literature values for the thermal boundary conductance across Al-Cu and Pd-Ir interfaces, and demonstrate that the interface conductance in metallic systems is dictated by the temperature derivative of the electron energy flux in the metallic layers, rather than electron mean free path or scattering processes at the interface.« less

  13. Effects of bulk and surface conductivity on the potential developed by dielectrics exposed to electron beams

    NASA Technical Reports Server (NTRS)

    Rotenberg, M.; Mandell, M. J.; Parks, D. E.

    1979-01-01

    The charging and discharging of a dielectric material which has bulk and surface conductivities is discussed. Two model problems are solved. In the first problem, a semi-infinite dielectric plane, attached to an infinite grounded conducting substrate and exposed to a monoenergetic electron beam, is analyzed. Bulk and surface conductivities and secondary emission characteristics are taken into account as parameters. In the second problem the dielectric is charged but the electron beam is shut off so only the bulk and surface conductivities enter the calculation. The principal result of the latter calculation is to show that steep tangential gradients develop in the presence of a surface conductivity during decay, and that for asymptotic times the temporal behavior, for a fixed position, is proportional to the square root of t rather than exponential, as expected in the presence of a bulk conductivity.

  14. Electrical conductivity and electron-spin resonance in oxidatively stabilized polyacrylonitrile subjected to elevated temperature

    NASA Technical Reports Server (NTRS)

    Lerner, N. R.

    1981-01-01

    Electrical conductivity and electron spin resonance measurements are presented for oxidatively stabilized polyacrylonitrile (PAN) fibers subjected to heat treatment at temperatures ranging from 700 to 950 K. Conductivity measurements made at temperatures between 77 and 523 K reveal that PAN fibers heat treated in vacuum behave as semiconductors, with a room-temperature conductivity dominated by the contributions of impurity states, with an activation energy of 88 kcal/mole. A decrease in conductivity is observed upon air which is attributed to a decrease in the electron-phonon scattering time. ESR spectra indicate that conducting pathways having metallic properties are formed at temperatures as low as 715 K, although the contribution of these pathways to the room-temperature conductivity is extremely small next to the contribution of localized spin centers.

  15. Intra-molecular electron transfer and electric conductance via sequential hopping: Unified theoretical description

    NASA Astrophysics Data System (ADS)

    Berlin, Yuri A.; Ratner, Mark A.

    2005-10-01

    The relation between intra-molecular electron transfer in the donor-bridge-acceptor system and zero-bias conductance of the same bridge in the metal-molecule-metal junction is analyzed for the sequential hopping regime of both processes. The electron transfer rate and molecular conductance are expressed in terms of rates characterizing each individual step of electron motion. Based on the results obtained, we derive the analytical expression that relates these two quantities in the general case of the energy landscape governing hopping transport.

  16. Suppression of Electron Thermal Conduction in the High β Intracluster Medium of Galaxy Clusters

    NASA Astrophysics Data System (ADS)

    Roberg-Clark, G. T.; Drake, J. F.; Reynolds, C. S.; Swisdak, M.

    2016-10-01

    Understanding the thermodynamic state of the hot intracluster medium (ICM) in a galaxy cluster requires knowledge of the plasma transport processes, especially thermal conduction. The basic physics of thermal conduction in plasmas with ICM-like conditions has yet to be elucidated, however. We use particle-in-cell simulations and analytic models to explore the dynamics of an ICM-like plasma (with small gyroradius, large mean free path, and strongly sub-dominant magnetic pressure) driven by the diffusive heat flux associated with thermal conduction. Linear theory reveals that whistler waves are driven unstable by electron heat flux, even when the heat flux is weak. The resonant interaction of electrons with these waves then plays a critical role in scattering electrons and suppressing the heat flux. In a 1D model where only whistler modes that are parallel to the magnetic field are captured, the only resonant electrons are moving in the opposite direction to the heat flux, and the electron heat flux suppression is small. In 2D or more, oblique whistler modes also resonate with electrons moving in the direction of the heat flux. The overlap of resonances leads to effective symmetrization of the electron distribution function and a strong suppression of heat flux. The results suggest that thermal conduction in the ICM might be strongly suppressed, possibly to negligible levels.

  17. Intraband optical conductivity sigma/omega,T/ of Cu, Ag, and Au - Contribution from electron-electron scattering

    NASA Technical Reports Server (NTRS)

    Parkins, G. R.; Lawrence, W. E.; Christy, R. W.

    1981-01-01

    The frequency and temperature dependence of the intraband optical conductivity of the noble metals Cu, Ag and Au is measured and contributions of electron-electron scattering are assessed. Optical measurements were performed at temperatures of 77, 295 and 425 K to obtain values of the Drude electron scattering rate with a linear dependence on temperature which may be attributed to electron-phonon scattering, and a quadratic dependence on photon energy, which is suggestive of electron-electron scattering but is a factor of two to three times greater than would be expected. Comparison of the optical data with dc electrical and thermal resistivity data which also show behavior attributed to electron-electron scattering reveals discrepancies of up to an order of magnitude. Other possible mechanisms for the frequency dependence, including absorptance, electron-surface plasmon interactions, a two-carrier model, and a structure dependence are considered, and it is concluded that the frequency dependence in the Drude scattering rates of the noble metals is not yet quantitatively understood

  18. Excitation of Meinel and the first negative band system at the collision of electrons and protons with the nitrogen molecule

    SciTech Connect

    Gochitashvili, Malkhaz R.; Lomsadze, Ramaz A.; Kezerashvili, Roman Ya.

    2010-08-15

    The absolute cross sections for the e-N{sub 2} and p-N{sub 2} collisions for the first negative B{sup 2{Sigma}}{sub u}{sup +}-X{sup 2{Sigma}}{sub g}{sup +} and Meinel A{sup 2{Pi}}{sub u}-X{sup 2{Sigma}}{sub g}{sup +} bands have been measured in the energy region of 400-1500 eV for electrons and 0.4-10 keV for protons, respectively. Measurements are performed in the visible spectral region of 400-800 nm by an optical spectroscopy method. The ratio of the cross sections of the Meinel band system to the cross section of the first negative band system (0,0) does not depend on the incident electron energy. The populations of vibrational levels corresponding to A{sup 2{Pi}}{sub u} states are consistent with the Franck-Condon principle. The ratios of the cross sections of (4,1) to (3,0) bands and (5,2) to (3,0) bands exhibit slight dependence on the proton energy. A theoretical estimation within the quasimolecular approximation provides a reasonable description of the total cross section for the first negative band.

  19. Thermal conductivity of the iron-based superconductor FeSe: Nodeless gap with strong two-band character

    NASA Astrophysics Data System (ADS)

    Bourgeois-Hope, Patrick; Badoux, Sven; Doiron-Leyraud, Nicolas; Taillefer, Louis; Chi, Shun; Liang, Ruixing; Hardy, Walter; Bonn, Doug

    The thermal conductivity κ of the iron-based superconductor FeSe was measured at temperatures down to 50 mK in magnetic fields up to 17 T. In zero magnetic field, the residual linear term in the T = 0 limit, κ0 / T , is vanishingly small. Application of a magnetic field H causes no increase in κ0 / T initially. Those two facts show that there are no zero-energy quasiparticles that carry heat and therefore no nodes in the superconducting gap of FeSe. The full field dependence of κ0 / T has the classic shape of a two-band superconductor, such as MgB2. It rises initially with a characteristic field H* ~=Hc 2 / 25 , and then more slowly up to Hc 2 = 14 T. We interpret this in terms of a small gap ΔA ~=Δ0 / 5 on some part of the Fermi surface, with a large gap ΔB =Δ0 in the region that controls Hc 2.

  20. Temperature-independent hole mobility of a smectic liquid-crystalline semiconductor based on band-like conduction.

    PubMed

    Funahashi, Masahiro; Ishii, Tomohiko; Sonoda, Akinari

    2013-08-26

    A liquid-crystalline (LC) phenylterthiophene derivative, which exhibited an ordered smectic phase at room temperature, was purified by vacuum sublimation under a flow of nitrogen. During the sublimation process, thin plates with sizes of 1 mm grew on the surface of the vacuum tube. The crystals exhibited the same X-ray diffraction patterns as the ordered smectic phase of the LC state that was formed through a conventional recrystallization process by using organic solvents. Because of the removal of chemical impurities, the hole mobility in the ordered smectic phase of the vacuum-grown thin plates increased to 1.2×10(-1) cm(2) V(-1) s(-1) at room temperature, whereas that of the LC precipitates was 7×10(-2) cm(2) V(-1) s(-1). The hole mobility in the ordered smectic phase of the vacuum-sublimated sample was temperature-independent between 400 and 220 K. The electric-field dependence of the hole mobility was also very small within this temperature range. The temperature dependence of hole mobility was well-described by the Hoesterey-Letson model. The hole-transport characteristics indicate that band-like conduction affected by the localized states, rather than a charge-carrier-hopping mechanism, is a valid mechanism for hole transport in an ordered smectic phase.

  1. Numerical analysis of the surface-conduction electron-emitter with a new configuration

    NASA Astrophysics Data System (ADS)

    Shen, Zhihua; Wang, Xiao; Wu, Shengli; Tian, Jinshou

    2016-04-01

    A new kind of surface-conduction electron-emitter (SCE) with a triangular dielectric layer under the conductive film is proposed. The influences of the vertex angle (𝜃) of the triangular dielectric layer and the anode voltage (Ua) on the electron emission efficiency and the focusing capability have been investigated with the finite integration technique (FIT). The numerical simulation results show that SCE with a small vertex angle guarantees higher electron emission efficiency even with a low anode voltage. But the focusing capability of the electron emitter will get worse when the 𝜃 or Ua becomes too small. Take both the electron emission efficiency and focusing capability into consideration, the structure with a vertex angle (𝜃) between 60∘-100∘ and the anode voltage of 1500V is suggested.

  2. Dynamical and anharmonic effects on the electron-phonon coupling and the zero-point renormalization of the band structure

    NASA Astrophysics Data System (ADS)

    Antonius, Gabriel; Poncé, Samuel; Lantagne-Hurtubise, Étienne; Auclair, Gabriel; Côté, Michel; Gonze, Xavier

    2015-03-01

    The electron-phonon coupling in solids renormalizes the band structure, reducing the band gap by several tenths of an eV in light-atoms semiconductors. Using the Allen-Heine-Cardona theory (AHC), we compute the zero-point renormalization (ZPR) as well as the quasiparticle lifetimes of the full band structure in diamond, BN, LiF and MgO. We show how dynamical effects can be included in the AHC theory, and still allow for the use of a Sternheimer equation to avoid the summation over unoccupied bands. The convergence properties of the electron-phonon coupling self-energy with respect to the Brillouin zone sampling prove to be strongly affected by dynamical effects. We complement our study with a frozen-phonon approach, which reproduces the static AHC theory, but also allows to probe the phonon wavefunctions at finite displacements and include anharmonic effects in the self-energy. We show that these high-order components tend to reduce the strongest electron-phonon coupling elements, which affects significantly the band gap ZPR.

  3. Effect of low-temperature annealing on the electronic- and band-structures of (Ga,Mn)As epitaxial layers

    SciTech Connect

    Yastrubchak, O. Gluba, L.; Żuk, J.; Wosinski, T. Andrearczyk, T.; Domagala, J. Z.; Sadowski, J.

    2014-01-07

    The effect of outdiffusion of Mn interstitials from (Ga,Mn)As epitaxial layers, caused by post-growth low-temperature annealing, on their electronic- and band-structure properties has been investigated by modulation photoreflectance (PR) spectroscopy. The annealing-induced changes in structural and magnetic properties of the layers were examined with high-resolution X-ray diffractometry and superconducting quantum interference device magnetometry, respectively. They confirmed an outdiffusion of Mn interstitials from the layers and an enhancement in their hole concentration, which were more efficient for the layer covered with a Sb cap acting as a sink for diffusing Mn interstitials. The PR results demonstrating a decrease in the band-gap-transition energy in the as-grown (Ga,Mn)As layers, with respect to that in the reference GaAs one, are interpreted by assuming a merging of the Mn-related impurity band with the GaAs valence band. Whereas an increase in the band-gap-transition energy caused by the annealing treatment of the (Ga,Mn)As layers is interpreted as a result of annealing-induced enhancement of the free-hole concentration and the Fermi level location within the valence band. The experimental results are consistent with the valence-band origin of itinerant holes mediating ferromagnetic ordering in (Ga,Mn)As, in agreement with the Zener model for ferromagnetic semiconductors.

  4. Electronic conduction properties of indium tin oxide: single-particle and many-body transport.

    PubMed

    Lin, Juhn-Jong; Li, Zhi-Qing

    2014-08-27

    Indium tin oxide (Sn-doped In2O3-δ or ITO) is a very interesting and technologically important transparent conducting oxide. This class of material has been extensively investigated for decades, with research efforts mostly focusing on the application aspects. The fundamental issues of the electronic conduction properties of ITO from room temperature down to liquid-helium temperatures have rarely been addressed thus far. Studies of the electrical-transport properties over a wide range of temperature are essential to unravelling the underlying electronic dynamics and microscopic electronic parameters. In this topical review, we show that one can learn rich physics in ITO material, including the semi-classical Boltzmann transport, the quantum-interference electron transport, as well as the many-body Coulomb electron-electron interaction effects in the presence of disorder and inhomogeneity (granularity). To fully reveal the numerous avenues and unique opportunities that the ITO material has provided for fundamental condensed matter physics research, we demonstrate a variety of charge transport properties in different forms of ITO structures, including homogeneous polycrystalline thin and thick films, homogeneous single-crystalline nanowires and inhomogeneous ultrathin films. In this manner, we not only address new physics phenomena that can arise in ITO but also illustrate the versatility of the stable ITO material forms for potential technological applications. We emphasize that, microscopically, the novel and rich electronic conduction properties of ITO originate from the inherited robust free-electron-like energy bandstructure and low-carrier concentration (as compared with that in typical metals) characteristics of this class of material. Furthermore, a low carrier concentration leads to slow electron-phonon relaxation, which in turn causes the experimentally observed (i) a small residual resistance ratio, (ii) a linear electron diffusion thermoelectric power in

  5. Photoconductivities from band states and a dissipative electron dynamics: Si(111) without and with adsorbed Ag clusters.

    PubMed

    Vazhappilly, Tijo; Hembree, Robert H; Micha, David A

    2016-01-14

    A new general computational procedure is presented to obtain photoconductivities starting from atomic structures, combining ab initio electronic energy band states with populations from density matrix theory, and implemented for a specific set of materials based on Si crystalline slabs and their nanostructured surfaces without and with adsorbed Ag clusters. The procedure accounts for charge mobility in semiconductors in photoexcited states, and specifically electron and hole photomobilities at Si(111) surfaces with and without adsorbed Ag clusters using ab initio energy bands and orbitals generated from a generalized gradient functional, however with excited energy levels modified to provide correct bandgaps. Photoexcited state populations for each band and carrier type were generated using steady state solution of a reduced density matrix which includes dissipative medium effects. The present calculations provide photoexcited electronic populations and photoinduced mobilities resulting from applied electric fields and obtained from the change of driven electron energies with their electronic momentum. Extensive results for Si slabs with 8 layers, without and with adsorbed Ag clusters, show that the metal adsorbates lead to substantial increases in the photomobility and photoconductivity of electrons and holes. PMID:26772554

  6. Feasibility study of electron transfer quantum well infrared photodetectors for spectral tuning in the long-wave infrared band

    SciTech Connect

    Jolley, Greg; Dehdashti Akhavan, Nima; Umana-Membreno, Gilberto; Antoszewski, Jarek; Faraone, Lorenzo

    2013-11-21

    An electron transfer quantum well infrared photodetector (QWIP) consisting of repeating units of two coupled quantum wells (QWs) is capable of exhibiting a two color voltage dependent spectral response. However, significant electron transfer between the coupled QWs is required for spectral tuning, which may require the application of relatively high electric fields. Also, the band structure of coupled quantum wells is more complicated in comparison to a regular quantum well and, therefore, it is not always obvious if an electron transfer QWIP can be designed such that it meets specific performance characteristics. This paper presents a feasibility study of the electron transfer QWIP and its suitability for spectral tuning. Self consistent calculations have been performed of the bandstructure and the electric field that results from electron population within the quantum wells, from which the optical characteristics have been obtained. The band structure, spectral response, and the resonant final state energy locations have been compared with standard QWIPs. It is shown that spectral tuning in the long-wave infrared band can be achieved over a wide wavelength range of several microns while maintaining a relatively narrow spectral response FWHM. However, the total absorption strength is more limited in comparison to a standard QWIP, since the higher QW doping densities require much higher electric fields for electron transfer.

  7. Application of mid-infrared free-electron laser tuned to amide bands for dissociation of aggregate structure of protein.

    PubMed

    Kawasaki, Takayasu; Yaji, Toyonari; Ohta, Toshiaki; Tsukiyama, Koichi

    2016-01-01

    A mid-infrared free-electron laser (FEL) is a linearly polarized, high-peak powered pulse laser with tunable wavelength within the mid-infrared absorption region. It was recently found that pathogenic amyloid fibrils could be partially dissociated to the monomer form by the irradiation of the FEL targeting the amide I band (C=O stretching vibration), amide II band (N-H bending vibration) and amide III band (C-N stretching vibration). In this study, the irradiation effect of the FEL on keratin aggregate was tested as another model to demonstrate an applicability of the FEL for dissociation of protein aggregates. Synchrotron radiation infrared microscopy analysis showed that the α-helix content in the aggregate structure decreased to almost the same level as that in the monomer state after FEL irradiation tuned to 6.06 µm (amide I band). Both irradiations at 6.51 µm (amide II band) and 8.06 µm (amide III band) also decreased the content of the aggregate but to a lesser extent than for the irradiation at the amide I band. On the contrary, the irradiation tuned to 5.6 µm (non-absorbance region) changed little the secondary structure of the aggregate. Scanning-electron microscopy observation at the submicrometer order showed that the angular solid of the aggregate was converted to non-ordered fragments by the irradiation at each amide band, while the aggregate was hardly deformed by the irradiation at 5.6 µm. These results demonstrate that the amide-specific irradiation by the FEL was effective for dissociation of the protein aggregate to the monomer form. PMID:26698057

  8. AlN/GaN high electron mobility transistors on sapphire substrates for Ka band applications

    NASA Astrophysics Data System (ADS)

    Xubo, Song; Yuanjie, Lü; Guodong, Gu; Yuangang, Wang; Xin, Tan; Xingye, Zhou; Shaobo, Dun; Peng, Xu; Jiayun, Yin; Bihua, Wei; Zhihong, Feng; Shujun, Cai

    2016-04-01

    We report the DC and RF characteristics of AlN/GaN high electron mobility transistors (HEMTs) with the gate length of 100 nm on sapphire substrates. The device exhibits a maximum drain current density of 1.29 A/mm and a peak transconductance of 440 mS/mm. A current gain cutoff frequency and a maximum oscillation frequency of 119 GHz and 155 GHz have been obtained, respectively. Furthermore, the large signal load pull characteristics of the AlN/GaN HEMTs were measured at 29 GHz. An output power density of 429 mW/mm has been demonstrated at a drain bias of 10 V. To the authors' best knowledge, this is the earliest demonstration of power density at the Ka band for AlN/GaN HEMTs in the domestic, and also a high frequency of load-pull measurements for AlN/GaN HEMTs. Project supported by the National Natural Science Foundation of China (No. 61306113).

  9. Pressure Effect on Electronic Band Structure of NiAs-Type CrTe

    NASA Astrophysics Data System (ADS)

    Takagaki, Masafumi; Kawakami, Takuya; Tanaka, Norikazu; Shirai, Masafumi; Motizuki, Kazuko

    1998-03-01

    Pressure influence on the electronic band structure of NiAs-type CrTe is studied for non-magnetic, ferromagnetic and antiferromagnetic states by using a self-consistent LAPW method. The total energy is calculated as a function of the lattice spacing a, keeping the ratio c/a as the observed value. The ferromagnetic state is stable energetically among three states for a>3.83 A. For a<3.83 A, the energy of antiferromagnetic state becomes lower than that of ferromagnetic state. Therefore pressure-induced ferromagnetic→antiferromagnetic transition is expected at about 20 GP. For the ferromagnetic state, which is realized below T C=340 K, the theoretical lattice spacing a is obtained as 4.180 A, which agrees fairly well with the observed one (a obs=3.981). The magnetic moment arises from mainly Cr-site and it is remarkably reduced by the pressure as observed. A small magnetic moment is induced at Te-site in the direction antiparallel to the moment at Cr-site.

  10. Band gap and defect states of MgO thin films investigated using reflection electron energy loss spectroscopy

    SciTech Connect

    Heo, Sung; Cho, Eunseog; Lee, Hyung-Ik; Park, Gyeong Su; Kang, Hee Jae; Nagatomi, T.; Choi, Pyungho; Choi, Byoung-Deog

    2015-07-15

    The band gap and defect states of MgO thin films were investigated by using reflection electron energy loss spectroscopy (REELS) and high-energy resolution REELS (HR-REELS). HR-REELS with a primary electron energy of 0.3 keV revealed that the surface F center (FS) energy was located at approximately 4.2 eV above the valence band maximum (VBM) and the surface band gap width (E{sub g}{sup S}) was approximately 6.3 eV. The bulk F center (F{sub B}) energy was located approximately 4.9 eV above the VBM and the bulk band gap width was about 7.8 eV, when measured by REELS with 3 keV primary electrons. From a first-principles calculation, we confirmed that the 4.2 eV and 4.9 eV peaks were F{sub S} and F{sub B}, induced by oxygen vacancies. We also experimentally demonstrated that the HR-REELS peak height increases with increasing number of oxygen vacancies. Finally, we calculated the secondary electron emission yields (γ) for various noble gases. He and Ne were not influenced by the defect states owing to their higher ionization energies, but Ar, Kr, and Xe exhibited a stronger dependence on the defect states owing to their small ionization energies.

  11. A Case Study Exploring the Use of GarageBand[TM] and an Electronic Bulletin Board in Preservice Music Education

    ERIC Educational Resources Information Center

    Vratulis, Vetta; Morton, Charlene

    2011-01-01

    This qualitative research study is an exploration of the merit and shortcomings of using a combination of the music software GarageBand[TM] and an electronic bulletin board to facilitate musical and peer learning in a 3-month elementary music methods curriculum and instruction course. A pedagogical objective of this assignment was to increase the…

  12. Characterization of 3D interconnected microstructural network in mixed ionic and electronic conducting ceramic composites

    NASA Astrophysics Data System (ADS)

    Harris, William M.; Brinkman, Kyle S.; Lin, Ye; Su, Dong; Cocco, Alex P.; Nakajo, Arata; Degostin, Matthew B.; Chen-Wiegart, Yu-Chen Karen; Wang, Jun; Chen, Fanglin; Chu, Yong S.; Chiu, Wilson K. S.

    2014-04-01

    The microstructure and connectivity of the ionic and electronic conductive phases in composite ceramic membranes are directly related to device performance. Transmission electron microscopy (TEM) including chemical mapping combined with X-ray nanotomography (XNT) have been used to characterize the composition and 3-D microstructure of a MIEC composite model system consisting of a Ce0.8Gd0.2O2 (GDC) oxygen ion conductive phase and a CoFe2O4 (CFO) electronic conductive phase. The microstructural data is discussed, including the composition and distribution of an emergent phase which takes the form of isolated and distinct regions. Performance implications are considered with regards to the design of new material systems which evolve under non-equilibrium operating conditions.The microstructure and connectivity of the ionic and electronic conductive phases in composite ceramic membranes are directly related to device performance. Transmission electron microscopy (TEM) including chemical mapping combined with X-ray nanotomography (XNT) have been used to characterize the composition and 3-D microstructure of a MIEC composite model system consisting of a Ce0.8Gd0.2O2 (GDC) oxygen ion conductive phase and a CoFe2O4 (CFO) electronic conductive phase. The microstructural data is discussed, including the composition and distribution of an emergent phase which takes the form of isolated and distinct regions. Performance implications are considered with regards to the design of new material systems which evolve under non-equilibrium operating conditions. Electronic supplementary information (ESI) available. See DOI: 10.1039/c3nr06684c

  13. PIC Simulations of the Effect of Velocity Space Instabilities on Electron Viscosity and Thermal Conduction

    NASA Astrophysics Data System (ADS)

    Riquelme, Mario A.; Quataert, Eliot; Verscharen, Daniel

    2016-06-01

    In low-collisionality plasmas, velocity-space instabilities are a key mechanism providing an effective collisionality for the plasma. We use particle-in-cell (PIC) simulations to study the interplay between electron- and ion-scale velocity-space instabilities and their effect on electron pressure anisotropy, viscous heating, and thermal conduction. The adiabatic invariance of the magnetic moment in low-collisionality plasmas leads to pressure anisotropy, {{Δ }}{p}j\\equiv {p}\\perp ,j-{p}\\parallel ,j\\gt 0, if the magnetic field {\\boldsymbol{B}} is amplified ({p}\\perp ,j and {p}\\parallel ,j denote the pressure of species j (electron, ion) perpendicular and parallel to {\\boldsymbol{B}}). If the resulting anisotropy is large enough, it can in turn trigger small-scale plasma instabilities. Our PIC simulations explore the nonlinear regime of the mirror, IC, and electron whistler instabilities, through continuous amplification of the magnetic field | {\\boldsymbol{B}}| by an imposed shear in the plasma. In the regime 1≲ {β }j≲ 20 ({β }j\\equiv 8π {p}j/| {\\boldsymbol{B}}{| }2), the saturated electron pressure anisotropy, {{Δ }}{p}{{e}}/{p}\\parallel ,{{e}}, is determined mainly by the (electron-lengthscale) whistler marginal stability condition, with a modest factor of ˜1.5-2 decrease due to the trapping of electrons into ion-lengthscale mirrors. We explicitly calculate the mean free path of the electrons and ions along the mean magnetic field and provide a simple physical prescription for the mean free path and thermal conductivity in low-collisionality β j ≳ 1 plasmas. Our results imply that velocity-space instabilities likely decrease the thermal conductivity of plasma in the outer parts of massive, hot, galaxy clusters. We also discuss the implications of our results for electron heating and thermal conduction in low-collisionality accretion flows onto black holes, including Sgr A* in the Galactic Center.

  14. Enhancement of magnetic stripe order in iron-pnictide superconductors from the interaction between conduction electrons and magnetic impurities.

    PubMed

    Gastiasoro, Maria N; Andersen, Brian M

    2014-08-01

    Recent experimental studies have revealed several unexpected properties of Mn-doped BaFe(2)As(2). These include extension of the stripelike magnetic (π,0) phase to high temperatures above a critical Mn concentration only, the presence of diffusive and weakly temperature dependent magnetic (π,π) checkerboard scattering, and an apparent absent structural distortion from tetragonal to orthorhombic symmetry. Here, we study the effects of magnetic impurities both below and above the Néel transition temperature within a real-space five-band model appropriate to the iron pnictides. We show how these experimental findings can be explained by a cooperative behavior of the magnetic impurities and the conduction electrons mediating the Ruderman-Kittel-Kasuya-Yosida interactions between them. PMID:25148344

  15. Elucidation of the highest valence band and lowest conduction band shifts using XPS for ZnO and Zn0.99Cu0.01O band gap changes

    NASA Astrophysics Data System (ADS)

    Kamarulzaman, N.; Kasim, M. F.; Chayed, N. F.

    ZnO and Zn0.99Cu0.01O nanostructures were prepared by a simple sol-gel method. The band gaps of the materials were systematically studied based on the dependence of the dimensions of the nanostructures as well as the presence of a dopant material, Cu. ZnO and Zn0.99Cu0.01O nanostructures were found to exhibit band gap widening whilst substitution of Cu in the lattice of ZnO caused its band gap to narrow with respect to the pure ZnO materials. In order to understand the phenomenon of band gap change, structural, spectroscopic, particle size and morphological studies were done. The band gap change occurring when the materials were in the nanostructured phase was proven to be mainly due to the downward shift of the valence band. Interestingly, when the band gaps of the pure ZnO and Cu doped ZnO were compared, the band gap changes were due to different shifts of the valence bands.

  16. Demonstration of asymmetric electron conduction in pseudosymmetrical photosynthetic reaction centre proteins in an electrical circuit

    NASA Astrophysics Data System (ADS)

    Kamran, Muhammad; Friebe, Vincent M.; Delgado, Juan D.; Aartsma, Thijs J.; Frese, Raoul N.; Jones, Michael R.

    2015-03-01

    Photosynthetic reaction centres show promise for biomolecular electronics as nanoscale solar-powered batteries and molecular diodes that are amenable to atomic-level re-engineering. In this work the mechanism of electron conduction across the highly tractable Rhodobacter sphaeroides reaction centre is characterized by conductive atomic force microscopy. We find, using engineered proteins of known structure, that only one of the two cofactor wires connecting the positive and negative termini of this reaction centre is capable of conducting unidirectional current under a suitably oriented bias, irrespective of the magnitude of the bias or the applied force at the tunnelling junction. This behaviour, strong functional asymmetry in a largely symmetrical protein-cofactor matrix, recapitulates the strong functional asymmetry characteristic of natural photochemical charge separation, but it is surprising given that the stimulus for electron flow is simply an externally applied bias. Reasons for the electrical resistance displayed by the so-called B-wire of cofactors are explored.

  17. Demonstration of asymmetric electron conduction in pseudosymmetrical photosynthetic reaction centre proteins in an electrical circuit

    PubMed Central

    Kamran, Muhammad; Friebe, Vincent M.; Delgado, Juan D.; Aartsma, Thijs J.; Frese, Raoul N.; Jones, Michael R.

    2015-01-01

    Photosynthetic reaction centres show promise for biomolecular electronics as nanoscale solar-powered batteries and molecular diodes that are amenable to atomic-level re-engineering. In this work the mechanism of electron conduction across the highly tractable Rhodobacter sphaeroides reaction centre is characterized by conductive atomic force microscopy. We find, using engineered proteins of known structure, that only one of the two cofactor wires connecting the positive and negative termini of this reaction centre is capable of conducting unidirectional current under a suitably oriented bias, irrespective of the magnitude of the bias or the applied force at the tunnelling junction. This behaviour, strong functional asymmetry in a largely symmetrical protein–cofactor matrix, recapitulates the strong functional asymmetry characteristic of natural photochemical charge separation, but it is surprising given that the stimulus for electron flow is simply an externally applied bias. Reasons for the electrical resistance displayed by the so-called B-wire of cofactors are explored. PMID:25751412

  18. Measurement of characteristics of an infrared free-electron laser with the L-band at Osaka University

    SciTech Connect

    Okuda, S.; Ishida, S.; Honda, Y.

    1995-12-31

    Free-electron laser (FEL) experiments have been conducted with the 38-MeV L-band electron linac at the Institute of Scientific and Industrial Research, Osaka University. It is a 1.3 GHz RF linac with a thermoionic gun, and equipped with two 12th and one 6th sub-harmonic prebunchers for producing the high-intensity single-bunch beam with a charge up to 67 nC/bunch. For oscillation experiments of FEL, the gun is replaced with that with a smaller cathode area in order to reduce the emittance of the beam. The normalized emittance has been measured to be 200 {pi} mm-mrad. The linac is operated in the long-pulse mode and one of the 12th sub-harmonic bunchers and the 6th sub-harmonic buncher are operated, so that the time duration of the macropulse is 4 {mu}s and the spacing between micropulses is 9.2 ns. The length of the micropulse is 30-40 ps and the charge in each micropulse is 2 nC. The electron beam from the linac is transported to a wiggler which has the period length of 6 cm and the number of periods of 32. The first half of the macropulse is lost in the transport line because the energy of electrons in that part gradually changes and there is a momentum slit in the transport line. An optical resonator is 5.53 m long and the round-trip time of light in it is 37 ns, which is precisely four times as long as the spacing of micropulses. Since the time duration of the macropulse passing through the wiggler is 1.8 {mu}s, the number of amplifications of light in the cavity is 49. The first lasing was achieved in 1994 at wavelengths between 32 and 40 {mu}m and preliminary results were reported at the l6th FEL Conference last year. The laser light was detected with a Ge:Be detector which has the time resolution of 3 {mu}s. Since the time duration of the macropulse of the laser fight is estimated to be less than 2 {mu}s, we could measure only the total energy in a macropulse of the output light.

  19. Electronically conductive perovskite-based oxide nanoparticles and films for optical sensing applications

    DOEpatents

    Ohodnicki, Jr., Paul R; Schultz, Andrew M

    2015-04-28

    The disclosure relates to a method of detecting a change in a chemical composition by contacting a electronically conducting perovskite-based metal oxide material with a monitored stream, illuminating the electronically conducting perovskite-based metal oxide with incident light, collecting exiting light, monitoring an optical signal based on a comparison of the incident light and the exiting light, and detecting a shift in the optical signal. The electronically conducting perovskite-based metal oxide has a perovskite-based crystal structure and an electronic conductivity of at least 10.sup.-1 S/cm, where parameters are specified at the gas stream temperature. The electronically conducting perovskite-based metal oxide has an empirical formula A.sub.xB.sub.yO.sub.3-.delta., where A is at least a first element at the A-site, B is at least a second element at the B-site, and where 0.8electronically conducting perovskite-based oxides include but are not limited to La.sub.1-xSr.sub.xCoO.sub.3, La.sub.1-xSr.sub.xMnO.sub.3, LaCrO.sub.3, LaNiO.sub.3, La.sub.1-xSr.sub.xMn.sub.1-yCr.sub.yO.sub.3, SrFeO.sub.3, SrVO.sub.3, La-doped SrTiO.sub.3, Nb-doped SrTiO.sub.3, and SrTiO.sub.3-.delta..

  20. Tuning band structure and electronic transport properties of ZrN nanotube--a first-principles investigation.

    PubMed

    Chandiramouli, R; Nagarajan, V

    2015-02-01

    The band structure and electronic transport properties of pristine ZrN nanotube, oxygen, fluorine and niobium substituted ZrN are successfully optimized using density functional theory. The transport properties of ZrN nanotube are studied in terms of band structure, density of states, electron density and transmission spectrum of ZrN nanotube. The band structure reveals that the nanostructures show metallic nature due to orbital overlapping of zirconium and nitrogen atoms. The density of states gives the information of localization of charges in energy intervals. The major contribution in density of states arises from p and d orbitals of zirconium and nitrogen atoms. The electron density is observed more in nitrogen sites for pristine and impurity substituted ZrN nanotube. The electrons near the Fermi level contributes more to the transmission, the impact in the transmission is seen due to substitution impurity and position of the defect in the ZrN nanotube. The results of the present work focus light to tailor ZrN nanotube with enhanced electronic properties in nanoelectronics applications. PMID:25459628

  1. Tuning band structure and electronic transport properties of ZrN nanotube - A first-principles investigation

    NASA Astrophysics Data System (ADS)

    Chandiramouli, R.; Nagarajan, V.

    2015-02-01

    The band structure and electronic transport properties of pristine ZrN nanotube, oxygen, fluorine and niobium substituted ZrN are successfully optimized using density functional theory. The transport properties of ZrN nanotube are studied in terms of band structure, density of states, electron density and transmission spectrum of ZrN nanotube. The band structure reveals that the nanostructures show metallic nature due to orbital overlapping of zirconium and nitrogen atoms. The density of states gives the information of localization of charges in energy intervals. The major contribution in density of states arises from p and d orbitals of zirconium and nitrogen atoms. The electron density is observed more in nitrogen sites for pristine and impurity substituted ZrN nanotube. The electrons near the Fermi level contributes more to the transmission, the impact in the transmission is seen due to substitution impurity and position of the defect in the ZrN nanotube. The results of the present work focus light to tailor ZrN nanotube with enhanced electronic properties in nanoelectronics applications.

  2. Tuning band structure and electronic transport properties of ZrN nanotube--a first-principles investigation.

    PubMed

    Chandiramouli, R; Nagarajan, V

    2015-02-01

    The band structure and electronic transport properties of pristine ZrN nanotube, oxygen, fluorine and niobium substituted ZrN are successfully optimized using density functional theory. The transport properties of ZrN nanotube are studied in terms of band structure, density of states, electron density and transmission spectrum of ZrN nanotube. The band structure reveals that the nanostructures show metallic nature due to orbital overlapping of zirconium and nitrogen atoms. The density of states gives the information of localization of charges in energy intervals. The major contribution in density of states arises from p and d orbitals of zirconium and nitrogen atoms. The electron density is observed more in nitrogen sites for pristine and impurity substituted ZrN nanotube. The electrons near the Fermi level contributes more to the transmission, the impact in the transmission is seen due to substitution impurity and position of the defect in the ZrN nanotube. The results of the present work focus light to tailor ZrN nanotube with enhanced electronic properties in nanoelectronics applications.

  3. Matrix elements of intraband transitions in quantum dot intermediate band solar cells: the influence of quantum dot presence on the extended-state electron wave-functions

    NASA Astrophysics Data System (ADS)

    Nozawa, Tomohiro; Arakawa, Yasuhiko

    2014-04-01

    The intraband transitions which are essential for quantum dot intermediate band solar cells (QD IBSCs) are theoretically investigated by estimating the matrix elements from a ground bound state, which is often regarded as an intermediate band (IB), to conduction band (CB) states for a structure with a quantum dot (QD) embedded in a matrix (a QD/matrix structure). We have found that the QD pushes away the electron envelope functions (probability densities) from the QD region in almost all quantum states above the matrix CB minimum. As a result, the matrix elements of the intraband transitions in the QD/matrix structure are largely reduced, compared to those calculated assuming the envelope functions of free electrons (i.e., plane-wave envelope functions) in a matrix structure as the final states of the intraband transitions. The result indicates the strong influence of the QD itself on the intraband transitions from the IB to the CB states in QD IBSC devices. This work will help in better understanding the problem of the intraband transitions and give new insight, that is, engineering of quantum states is indispensable for the realization of QD IBSCs with high solar energy conversion efficiencies.

  4. Kinetics of band bending and electron affinity at GaAs(001) surface with nonequilibrium cesium overlayers

    SciTech Connect

    Zhuravlev, A. G.; Savchenko, M. L.; Paulish, A. G.; Alperovich, V. L.; Scheibler, H. E.; Jaroshevich, A. S.

    2013-12-04

    The dosage dependences of surface band bending and effective electron affinity under cesium deposition on the Ga-rich GaAs(001) surface, along with the relaxation of these electronic properties after switching off the Cs source are experimentally studied by means of modified photoreflectance spectroscopy and photoemission quantum yield spectroscopy. At small Cs coverages, below half of a monolayer, additional features in the dosage dependence and subsequent downward relaxation of the photoemission current are determined by the variations of band bending. At coverages above half of a monolayer the upward relaxation of the photocurrent is caused supposedly by the decrease of the electron affinity due to restructuring in the nonequilibrium cesium overlayer.

  5. Narrow-band GeV photons generated from an x-ray free-electron laser oscillator

    NASA Astrophysics Data System (ADS)

    Hajima, Ryoichi; Fujiwara, Mamoru

    2016-02-01

    We propose a scheme to generate narrow-band GeV photons, γ -rays, via Compton scattering of hard x-ray photons in an x-ray free-electron laser oscillator. Generated γ -rays show a narrow-band spectrum with a sharp peak, ˜0.1 % (FWHM), due to large momentum transfer from electrons to photons. The γ -ray beam has a spectral density of ˜102 ph /(MeV s ) with a typical set of parameters based on a 7-GeV electron beam operated at 3-MHz repetition, Such γ -rays will be a unique probe for studying hadron physics. Features of the γ -ray source, flux, spectrum, polarization, tunability and energy resolution are discussed.

  6. Printable elastic conductors with a high conductivity for electronic textile applications

    NASA Astrophysics Data System (ADS)

    Matsuhisa, Naoji; Kaltenbrunner, Martin; Yokota, Tomoyuki; Jinno, Hiroaki; Kuribara, Kazunori; Sekitani, Tsuyoshi; Someya, Takao

    2015-06-01

    The development of advanced flexible large-area electronics such as flexible displays and sensors will thrive on engineered functional ink formulations for printed electronics where the spontaneous arrangement of molecules aids the printing processes. Here we report a printable elastic conductor with a high initial conductivity of 738 S cm-1 and a record high conductivity of 182 S cm-1 when stretched to 215% strain. The elastic conductor ink is comprised of Ag flakes, a fluorine rubber and a fluorine surfactant. The fluorine surfactant constitutes a key component which directs the formation of surface-localized conductive networks in the printed elastic conductor, leading to a high conductivity and stretchability. We demonstrate the feasibility of our inks by fabricating a stretchable organic transistor active matrix on a rubbery stretchability-gradient substrate with unimpaired functionality when stretched to 110%, and a wearable electromyogram sensor printed onto a textile garment.

  7. Printable elastic conductors with a high conductivity for electronic textile applications

    PubMed Central

    Matsuhisa, Naoji; Kaltenbrunner, Martin; Yokota, Tomoyuki; Jinno, Hiroaki; Kuribara, Kazunori; Sekitani, Tsuyoshi; Someya, Takao

    2015-01-01

    The development of advanced flexible large-area electronics such as flexible displays and sensors will thrive on engineered functional ink formulations for printed electronics where the spontaneous arrangement of molecules aids the printing processes. Here we report a printable elastic conductor with a high initial conductivity of 738 S cm−1 and a record high conductivity of 182 S cm−1 when stretched to 215% strain. The elastic conductor ink is comprised of Ag flakes, a fluorine rubber and a fluorine surfactant. The fluorine surfactant constitutes a key component which directs the formation of surface-localized conductive networks in the printed elastic conductor, leading to a high conductivity and stretchability. We demonstrate the feasibility of our inks by fabricating a stretchable organic transistor active matrix on a rubbery stretchability-gradient substrate with unimpaired functionality when stretched to 110%, and a wearable electromyogram sensor printed onto a textile garment. PMID:26109453

  8. Superconductivity in an electron band just above the Fermi level: possible route to BCS-BEC superconductivity.

    PubMed

    Okazaki, K; Ito, Y; Ota, Y; Kotani, Y; Shimojima, T; Kiss, T; Watanabe, S; Chen, C-T; Niitaka, S; Hanaguri, T; Takagi, H; Chainani, A; Shin, S

    2014-02-28

    Conventional superconductivity follows Bardeen-Cooper-Schrieffer(BCS) theory of electrons-pairing in momentum-space, while superfluidity is the Bose-Einstein condensation(BEC) of atoms paired in real-space. These properties of solid metals and ultra-cold gases, respectively, are connected by the BCS-BEC crossover. Here we investigate the band dispersions in FeTe(0.6)Se(0.4)(Tc = 14.5 K ~ 1.2 meV) in an accessible range below and above the Fermi level(EF) using ultra-high resolution laser angle-resolved photoemission spectroscopy. We uncover an electron band lying just 0.7 meV (~8 K) above EF at the Γ-point, which shows a sharp superconducting coherence peak with gap formation below Tc. The estimated superconducting gap Δ and Fermi energy [Symbol: see text]F indicate composite superconductivity in an iron-based superconductor, consisting of strong-coupling BEC in the electron band and weak-coupling BCS-like superconductivity in the hole band. The study identifies the possible route to BCS-BEC superconductivity.

  9. Valence state, hybridization and electronic band structure in the charge ordered AlV2O4.

    PubMed

    Kalavathi, S; Amirthapandian, S; Chandra, Sharat; Sahu, P Ch; Sahu, H K

    2014-01-01

    The valence state, hybridization and electronic band structure of charge ordered AlV2O4 are investigated by measuring the electron energy loss spectra (EELS) and performing band structure calculations using the WIEN2k code. White line ratio and O K edges of V2O5, VO2, V2O3 and AlV2O4, obtained using electron energy loss spectroscopy, are analysed specifically to probe systematically the VO6 octahedra in all of them. The systematic decrease of the L2 intensity and the O K edge intensity from V(5+) in V2O5 to AlV2O4 indicates a progressive increase in the occupancy of the hybridized states, which is corroborated by the absence of a transition from O 1s to hybridized 2t(2g). Band structure calculations on the parent charge frustrated cubic phase and the charge ordered rhombohedral phase clearly document a band gap in the charge ordered state. From the structural information obtained after convergence and the spectroscopic information from EELS, it appears that partial orbital occupancy may lead to a deviation from an integral valence state on all the vanadium in this exotic charge ordered spinel system.

  10. Valence state, hybridization and electronic band structure in the charge ordered AlV2O4.

    PubMed

    Kalavathi, S; Amirthapandian, S; Chandra, Sharat; Sahu, P Ch; Sahu, H K

    2014-01-01

    The valence state, hybridization and electronic band structure of charge ordered AlV2O4 are investigated by measuring the electron energy loss spectra (EELS) and performing band structure calculations using the WIEN2k code. White line ratio and O K edges of V2O5, VO2, V2O3 and AlV2O4, obtained using electron energy loss spectroscopy, are analysed specifically to probe systematically the VO6 octahedra in all of them. The systematic decrease of the L2 intensity and the O K edge intensity from V(5+) in V2O5 to AlV2O4 indicates a progressive increase in the occupancy of the hybridized states, which is corroborated by the absence of a transition from O 1s to hybridized 2t(2g). Band structure calculations on the parent charge frustrated cubic phase and the charge ordered rhombohedral phase clearly document a band gap in the charge ordered state. From the structural information obtained after convergence and the spectroscopic information from EELS, it appears that partial orbital occupancy may lead to a deviation from an integral valence state on all the vanadium in this exotic charge ordered spinel system. PMID:24285259

  11. A promising approach to conductive patterns with high efficiency for flexible electronics

    NASA Astrophysics Data System (ADS)

    Tai, Yan-Long; Yang, Zhen-Guo; Li, Zhi-Dong

    2011-06-01

    A promising approach for conductive patterns with high efficiency for flexible electronics was developed by direct-writing, silver(I) solution (silver nitrate, acetate silver, etc.) with no solid particles as a conductive ink, conductive pen as a writing implement, and polyimide (PI) film as a substrate. The physical properties of the conductive ink were investigated by a dynamic contact angle system, ubbelohde viscometer and surface tension instrument. Conductive properties of silver ink film were investigated by 4-point probe, scanning electron microscope (SEM) and surface profilometer. It is demonstrated how the design of solvent composition in conductive ink affects surface morphology, and conductivity of silver ink films. It can be obtained that conductive patterns drawn on PI substrate not only have good mechanical/electrical fatigue properties, but also have low resistivity. Especially, when the sintering condition is 200 °C for 60 min, the resistivity can be down to 6.6 μΩ cm, 4.25 times the silver bulk resistivity.

  12. Evidence of Eu{sup 2+} 4f electrons in the valence band spectra of EuTiO{sub 3} and EuZrO{sub 3}

    SciTech Connect

    Kolodiazhnyi, T.; Valant, M.; Williams, J. R.; Bugnet, M.; Botton, G. A.; Ohashi, N.; Sakka, Y.

    2012-10-15

    We report on optical band gap and valence electronic structure of two Eu{sup 2+}-based perovskites, EuTiO{sub 3} and EuZrO{sub 3} as revealed by diffuse optical scattering, electron energy loss spectroscopy, and valence-band x-ray photoelectron spectroscopy. The data show good agreement with the first-principles studies in which the top of the valence band structure is formed by the narrow Eu 4f{sup 7} electron band. The O 2p band shows the features similar to those of the Ba(Sr)TiO{sub 3} perovskites except that it is shifted to higher binding energies. Appearance of the Eu{sup 2+} 4f{sup 7} band is a reason for narrowing of the optical band gap in the title compounds as compared to their Sr-based analogues.

  13. Development of thermal rectifier using unusual electron thermal conductivity of icosahedral quasicrystals

    NASA Astrophysics Data System (ADS)

    Takeuchi, Tsunehiro

    2015-03-01

    The bulk thermal rectifiers usable at high temperature were developed using the unusual increase of electron thermal conductivity of icosahedral quasicrystals (ICQ's) at high temperature. Our previously performed analyses in terms of linear response theory suggested that the unusual increase of electron thermal conductivity of ICQ was brought about by the synergy effect of quasiperiodicity and narrow pseudogap at the Fermi level. Since the linear response theory suggests that the unusual increase of electron thermal conductivity is coupled with the small magnitude of Seebeck coefficient, the composition of Al-Cu-Fe ICQ, where the thermal conductivity shows the most significant increase with increasing temperature, was determined with a great help of Seebeck coefficient measurements. Consequently obtained Al61.5Cu26.5Fe12.0 ICQ, which was characterized by the small magnitude of Seebeck coefficient, possessed 9 times larger value of thermal conductivity at 1000 K than that observed at 300 K. The increasing tendency of electron thermal conductivity with increasing temperature was further enhanced by means of small amount of Re substitution for Fe. This substitution definitely reduced the lattice thermal conductivity while the electron thermal conductivity was kept unchanged. The lattice thermal conductivity was reduced by 35 % under the presence of 0.5 at.% Re, and the thermal conductivity at 1000 K consequently became about 11 times larger than that at 300 K. The thermal rectifiers were constructed using our newly developed ICQ (Al61.5Cu26.5Fe12.0 or Al61.0Si0.5Cu26.5Fe11.5Re0.5) together with one of the selected materials (Si, Al2O3, CuGeTe2 or Ag2Te) that possess thermal conductivity decreasing with increasing temperature. The heat current flowing in the rectifiers was confirmed to show significant direction dependence. The consequently obtained TRR =|Jlarge|/ |Jsmall | for the composite consisting of

  14. Tunable Mixed Ionic/Electronic Conductivity and Permittivity of Graphene Oxide Paper for Electrochemical Energy Conversion.

    PubMed

    Bayer, Thomas; Bishop, Sean R; Perry, Nicola H; Sasaki, Kazunari; Lyth, Stephen M

    2016-05-11

    Graphene oxide (GO) is a two-dimensional graphitic carbon material functionalized with oxygen-containing surface functional groups. The material is of interest in energy conversion, sensing, chemical processing, gas barrier, and electronics applications. Multilayer GO paper has recently been applied as a new proton conducting membrane in low temperature fuel cells. However, a detailed understanding of the electrical/dielectric properties, including separation of the ionic vs electronic contributions under relevant operating conditions, has so far been lacking. Here, the electrical conductivity and dielectric permittivity of GO paper are investigated in situ from 30 to 120 °C, and from 0 to 100% relative humidity (RH) using impedance spectroscopy. These are related to the water content, measured by thermogravimetric analysis. With the aid of electron blocking measurements, GO is demonstrated to be a mixed electronic-protonic conductor, and the ion transference number is derived for the first time. For RH > 40%, conductivity is dominated by proton transport (with a maximum of 0.5 mS/cm at 90 °C and 100% RH). For RH < 40%, electronic conductivity dominates (with a maximum of 7.4 mS/cm at ∼80 °C and 0% RH). The relative permittivity of GO paper increases with decreasing humidity, from ∼10 at 100% RH to several 1000 at 10% RH. These results underline the potential of GO for application not only as a proton conducting electrolyte but also as a mixed conducting electrode material under appropriate conditions. Such materials are highly applicable in electrochemical energy conversion and storage devices such as fuel cells and electrolyzers. PMID:27088238

  15. Structural control of mixed ionic and electronic transport in conducting polymers

    DOE PAGES

    Rivnay, Jonathan; Inal, Sahika; Collins, Brian A.; Sessolo, Michele; Stavrinidou, Eleni; Strakosas, Xenofon; Tassone, Christopher; Delongchamp, Dean M.; Malliaras, George G.

    2016-04-19

    Poly(3,4-ethylenedioxythiophene) doped with poly(styrenesulfonate), PEDOT:PSS, has been utilized for over two decades as a stable, solution-processable hole conductor. While its hole transport properties have been the subject of intense investigation, recent work has turned to PEDOT:PSS as a mixed ionic/electronic conductor in applications including bioelectronics, energy storage and management, and soft robotics. Conducting polymers can efficiently transport both holes and ions when sufficiently hydrated, however, little is known about the role of morphology on mixed conduction. Here, we show that bulk ionic and electronic mobilities are simultaneously affected by processing-induced changes in nano- and meso-scale structure in PEDOT:PSS films. Wemore » quantify domain composition, and find that domain purification on addition of dispersion co-solvents limits ion mobility, even while electronic conductivity improves. We show that an optimal morphology allows for the balanced ionic and electronic transport that is critical for prototypical mixed conductor devices. As a result, these findings may pave the way for the rational design of polymeric materials and processing routes to enhance devices reliant on mixed conduction.« less

  16. Structural control of mixed ionic and electronic transport in conducting polymers

    NASA Astrophysics Data System (ADS)

    Rivnay, Jonathan; Inal, Sahika; Collins, Brian A.; Sessolo, Michele; Stavrinidou, Eleni; Strakosas, Xenofon; Tassone, Christopher; Delongchamp, Dean M.; Malliaras, George G.

    2016-04-01

    Poly(3,4-ethylenedioxythiophene) doped with poly(styrenesulfonate), PEDOT:PSS, has been utilized for over two decades as a stable, solution-processable hole conductor. While its hole transport properties have been the subject of intense investigation, recent work has turned to PEDOT:PSS as a mixed ionic/electronic conductor in applications including bioelectronics, energy storage and management, and soft robotics. Conducting polymers can efficiently transport both holes and ions when sufficiently hydrated, however, little is known about the role of morphology on mixed conduction. Here, we show that bulk ionic and electronic mobilities are simultaneously affected by processing-induced changes in nano- and meso-scale structure in PEDOT:PSS films. We quantify domain composition, and find that domain purification on addition of dispersion co-solvents limits ion mobility, even while electronic conductivity improves. We show that an optimal morphology allows for the balanced ionic and electronic transport that is critical for prototypical mixed conductor devices. These findings may pave the way for the rational design of polymeric materials and processing routes to enhance devices reliant on mixed conduction.

  17. Structural control of mixed ionic and electronic transport in conducting polymers

    PubMed Central

    Rivnay, Jonathan; Inal, Sahika; Collins, Brian A.; Sessolo, Michele; Stavrinidou, Eleni; Strakosas, Xenofon; Tassone, Christopher; Delongchamp, Dean M.; Malliaras, George G.

    2016-01-01

    Poly(3,4-ethylenedioxythiophene) doped with poly(styrenesulfonate), PEDOT:PSS, has been utilized for over two decades as a stable, solution-processable hole conductor. While its hole transport properties have been the subject of intense investigation, recent work has turned to PEDOT:PSS as a mixed ionic/electronic conductor in applications including bioelectronics, energy storage and management, and soft robotics. Conducting polymers can efficiently transport both holes and ions when sufficiently hydrated, however, little is known about the role of morphology on mixed conduction. Here, we show that bulk ionic and electronic mobilities are simultaneously affected by processing-induced changes in nano- and meso-scale structure in PEDOT:PSS films. We quantify domain composition, and find that domain purification on addition of dispersion co-solvents limits ion mobility, even while electronic conductivity improves. We show that an optimal morphology allows for the balanced ionic and electronic transport that is critical for prototypical mixed conductor devices. These findings may pave the way for the rational design of polymeric materials and processing routes to enhance devices reliant on mixed conduction. PMID:27090156

  18. Direct Electron Transfer of Enzymes in a Biologically Assembled Conductive Nanomesh Enzyme Platform.

    PubMed

    Lee, Seung-Woo; Lee, Ki-Young; Song, Yong-Won; Choi, Won Kook; Chang, Joonyeon; Yi, Hyunjung

    2016-02-24

    Nondestructive assembly of a nanostructured enzyme platform is developed in combination of the specific biomolecular attraction and electrostatic coupling for highly efficient direct electron transfer (DET) of enzymes with unprecedented applicability and versatility. The biologically assembled conductive nanomesh enzyme platform enables DET-based flexible integrated biosensors and DET of eight different enzyme with various catalytic activities.

  19. Full counting statistics for a single-electron transistor: nonequilibrium effects at intermediate conductance.

    PubMed

    Utsumi, Yasuhiro; Golubev, Dmitri S; Schön, Gerd

    2006-03-01

    We evaluate the current distribution for a single-electron transistor with intermediate strength tunnel conductance. Using the Schwinger-Keldysh approach and the drone (Majorana) fermion representation, we account for the renormalization of system parameters. Nonequilibrium effects induce a lifetime broadening of the charge-state levels, which suppress large current fluctuations.

  20. Band Theory for the Electronic and Magnetic Properties of VO2 Phases

    NASA Astrophysics Data System (ADS)

    Shen, Xiao; Xu, Sheng; Hallman, Kent; Haglund, Richard; Pantelides, Sokrates

    VO2 is widely studied for the insulator-metal transition between the monoclinic M1 (insulator) and rutile R (metal) phases. Recent experiments show that in addition to the M1 and R phases, VO2 has a rich phase diagram including a recently identified metallic monoclinic phase, making the material particularly intriguing. The origin of the band gap in the insulating phase of VO2 has been a subject of debate. It was suggested that the insulating phase cannot be described by band theory and thus strong correlations must be invoked. However, recent band calculations using density functional theory (DFT) with a hybrid functional and standard pseudopotentials correctly obtains a band gap for the M1 insulating phase. Subsequent calculations, however, found that the magnetic properties of VO2 phases are not correctly described by such calculations. Here we present DFT calculations using a tuned hybrid functional and hard pseudopotentials that reproduce both the band gaps and the magnetic properties of the known VO2 phases. Thus, it is appropriate to use band theory to describe VO2 phases without invoking strong correlations. Furthermore, using the band theory treatment, we identify a candidate for the metallic monoclinic phase. Doe DE-FG02-09ER46554, NSF EECS-1509740.

  1. Flat band analogues and flux driven extended electronic states in a class of geometrically frustrated fractal networks.

    PubMed

    Nandy, Atanu; Pal, Biplab; Chakrabarti, Arunava

    2015-04-01

    We demonstrate, by explicit construction, that a single band tight binding Hamiltonian defined on a class of deterministic fractals of the b = 3N Sierpinski type can give rise to an infinity of dispersionless, flat-band like states which can be worked out analytically using the scale invariance of the underlying lattice. The states are localized over clusters of increasing sizes, displaying the existence of a multitude of localization areas. The onset of localization can, in principle, be 'delayed' in space by an appropriate choice of the energy of the electron. A uniform magnetic field threading the elementary plaquettes of the network is shown to destroy this staggered localization and generate absolutely continuous sub-bands in the energy spectrum of these non-translationally invariant networks.

  2. Dynamic tunneling force microscopy for characterizing electronic trap states in non-conductive surfaces

    SciTech Connect

    Wang, R.; Williams, C. C.

    2015-09-15

    Dynamic tunneling force microscopy (DTFM) is a scanning probe technique for real space mapping and characterization of individual electronic trap states in non-conductive films with atomic scale spatial resolution. The method is based upon the quantum mechanical tunneling of a single electron back and forth between a metallic atomic force microscopy tip and individual trap states in completely non-conducting surface. This single electron shuttling is measured by detecting the electrostatic force induced on the probe tip at the shuttling frequency. In this paper, the physical basis for the DTFM method is unfolded through a physical model and a derivation of the dynamic tunneling signal as a function of several experimental parameters is shown. Experimental data are compared with the theoretical simulations, showing quantitative consistency and verifying the physical model used. The experimental system is described and representative imaging results are shown.

  3. Dynamic tunneling force microscopy for characterizing electronic trap states in non-conductive surfaces

    NASA Astrophysics Data System (ADS)

    Wang, R.; Williams, C. C.

    2015-09-01

    Dynamic tunneling force microscopy (DTFM) is a scanning probe technique for real space mapping and characterization of individual electronic trap states in non-conductive films with atomic scale spatial resolution. The method is based upon the quantum mechanical tunneling of a single electron back and forth between a metallic atomic force microscopy tip and individual trap states in completely non-conducting surface. This single electron shuttling is measured by detecting the electrostatic force induced on the probe tip at the shuttling frequency. In this paper, the physical basis for the DTFM method is unfolded through a physical model and a derivation of the dynamic tunneling signal as a function of several experimental parameters is shown. Experimental data are compared with the theoretical simulations, showing quantitative consistency and verifying the physical model used. The experimental system is described and representative imaging results are shown.

  4. Effect of Precipitating Electrons on Ring Current Energy Content, Ionospheric Conductance, and Thermospheric Properties

    NASA Astrophysics Data System (ADS)

    Chen, M.; Lemon, C. L.; Walterscheid, R. L.; Yoo, B.; Hecht, J. H.; Shprits, Y.; Orlova, K.; Schulz, M.; Evans, J. S.

    2014-12-01

    We investigate how scattering of electrons by waves in the plasma sheet and plasmasphere affects precipitating energy flux distributions during magnetic storms, how the precipitating electrons modify the ionospheric Hall and Pederson conductivity and electric potential, how these processes feedback on magnetospheric particle transport and redistribute the ring current, and how the ionization and energy deposition of precipitating electrons affects thermospheric winds and temperature. Our main approach is to couple simulation models: (1) the magnetically and electrically self-consistent Rice Convection Model - Equilibrium (RCM-E) of the inner magnetosphere, (2) the B3c transport model for electron-proton-hydrogen atom aurora in the ionosphere, and (3) the Thermosphere-Ionsphere-Electrodynamics General Circulation Model (TIEGCM) of the ionosphere and thermosphere. Realistic descriptions of electron pitch-angle diffusion by whistler chorus in the plasma sheet/magnetotail and hiss in the plasmasphere are included in the RCM-E. We use parameterized rates of electron pitch-angle scattering with whistler chorus of Orlova and Shprits [JGR, 2014] that depend on equatorial radial distance, magnetic activity (Kp), and magnetic local time. To study how the precipitating electron energy flux distributions affect ionospheric conductivity and ionospheric electric potential patterns, we have performed a one-way coupling of the RCM-E and ionospheric B3c model. The simulated precipitating electron flux distributions are used to specify the energy flux and particle heating due to precipitating auroral electrons for TIEGCM simulations of the neutral atmosphere. We simulate a storm event and compare simulated quantities with in situ observations.

  5. Applications of high thermal conductivity composites to electronics and spacecraft thermal design

    NASA Technical Reports Server (NTRS)

    Sharp, G. Richard; Loftin, Timothy A.

    1990-01-01

    Recently, high thermal conductivity continuous graphite fiber reinforced metal matrix composites (MMC's) have become available that can save much weight over present methods of heat conduction. These materials have two or three times higher thermal conductivity in the fiber direction than the pure metals when compared on a thermal conductivity to weight basis. Use of these materials for heat conduction purposes can result in weight savings of from 50 to 70 percent over structural aluminum. Another significant advantage is that these materials can be used without the plumbing and testing complexities that accompany the use of liquid heat pipes. A spinoff of this research was the development of other MMC's as electronic device heat sinks. These use particulates rather than fibers and are formulated to match the coefficient of thermal expansion of electronic substrates in order to alleviate thermally induced stresses. The development of both types of these materials as viable weight saving substitutes for traditional methods of thermal control for electronics packaging and also for spacecraft thermal control applications are the subject of this report.

  6. Development and application of diagnostic instrumentation for measurement of electron density and conductivity

    SciTech Connect

    Bauman, L.E.

    1990-05-01

    The purpose of this contract was to assemble and demonstrate in the laboratory a Faraday rotation system for measurement of electron density and conductivity, with the intent to produce a system suitable for diagnostic support of the development of pulsed, space-based magnetohydrodynamic (MHD) power systems. Two system configurations were tested: (1) a rotating polarizer and (2) a beam splitting polarizer. Due to the short path length plasma produced in the laboratory flame, the long wavelength 496 {mu}m methyl fluoride laser line was used and only the more sensitive rotating polarizer configuration was used for the demonstration experiments. Electron number densities from 2 {times} 10{sup 19} to 9 {times} 10{sup 19} were measured with good agreement to statistical equilibrium (Saha) calculations using emission absorption-measured flame temperatures and neutral seed atom number seed atom nuclear densities. The electron collision frequencies were measured by transmission measurements. Combining these two measurements gave measured electron conductivities of between 4 and 12 mohs/m. These results compared reasonably well with those found with an electron collision frequency model combined with chemical equilibrium calculations and the emission absorption measurements. Ellipticity measurements of electron collision frequency were not possible due to the short path length of the laboratory plasma. 46 refs., 25 figs., 9 tabs.

  7. Defect characterization of electronic conducting pseudo-perovskite systems. Final report

    SciTech Connect

    Anderson, H.U.; Nasrallah, M.; Sparlin, D.M.; Parris, P.E.

    1994-12-31

    The goal of the program has been to study the interrelationships between electrical conductivity, oxidation-reduction kinetics, defect structure, and composition of n- and p-type binary and ternary transition metal oxides. The stimulus for making these studies was the observation that both conducting n and p type oxides displayed a dependence on oxygen activity that was not predicted by the defect chemistry of their majority defects. The project has focused primarily on the understanding of electronic and ionic conduction in the REBO{sub 3} oxides, where RE is a rare earth ion and B is a transition metal ion. This is being done by studying the interrelationships between the electronic and ionic conductivity, the electronic structure of the B site transition metal ion, and the acceptor concentration. The dependence of these characteristics on the oxygen activity, the temperature, and the defect chemistry of the oxide system is being determined. Theoretical mechanisms and models are being developed from the body of experimental results to provide a predictive tool. The effect of dopants and impurities, processing, electrical and thermal stability as a function of oxygen activity and temperature and their relationship to defect chemistry of the perovskite type oxides have been studied extensively by this research team. As a result of the difference in mobility between electronic and ionic defects, the electrical conductivity changes as the concentration of electronic defects changes. Thus, electrodes or resistors consisting of such oxides are susceptible to instabilities in resistance as they are cycled into temperature regimes where thermodynamic equilibrium may be attained. Many of the new energy conversion systems which use such oxides are encountering difficulties as a result of this instability in resistivity.

  8. Electron conductivity in GeTe and GeSe upon ion implantation of Bi

    SciTech Connect

    Fedorenko, Ya. G.

    2015-12-15

    This paper presents results on ion implantation of bismuth in GeTe and GeSe films. The conductivity and the thermopower of amorphous chalcogenide films are investigated. Electron conductivity in the films is attained at the Bi implantation doses higher than (1.5–2) × 10{sup 16} cm{sup −2}. In conjunction with the structural modification in the films as revealed Raman spectroscopy, the results suggest the structural re-arrangement of the amorphous network occurs via weakening the bonds of a lower energy. The onset of electron conductivity is hindered by a stronger bond in an alloy. In GeTe, this is the Ge-Ge bond.

  9. Capacitance and conductance studies on silicon solar cells subjected to 8 MeV electron irradiations

    NASA Astrophysics Data System (ADS)

    Sathyanarayana Bhat, P.; Rao, Asha; Sanjeev, Ganesh; Usha, G.; Priya, G. Krishna; Sankaran, M.; Puthanveettil, Suresh E.

    2015-06-01

    The space grade silicon solar cells were irradiated with 8 MeV electrons with doses ranging from 5-100 k Gy. Capacitance and conductance measurements were carried out in order to investigate the anomalous degradation of the cells in the radiation harsh environments and the results are presented in this paper. Detailed and systematic analysis of the frequency-dependent capacitance and conductance measurements were performed to extract the information about the interface trap states. The small increase in density of interface states was observed from the conductance-frequency measurements. The reduction in carrier concentration upon electron irradiation is due to the trapping of charge carriers by the radiation induced trap centres. The Drive Level Capacitance Profiling (DLCP) technique has been applied to study the properties of defects in silicon solar cells. A small variation in responding state densities with measuring frequency was observed and the defect densities are in the range 1015 -1016 cm-3.

  10. Measurements of the partial electronic conductivity in lithium chloride - potassium chloride molten salts

    SciTech Connect

    Reynolds, G.J.; Huggins, R.A.; Lee, M.C.Y.

    1983-05-01

    The partial electronic conductivity of the lithium chloride-potassium chloride eutectic molten salt electrolyte has been studied as a function of lithium activity, temperature and melt composition using the Wagner asymmetric d-c polarization technique. Measurements were made over the temperature range 383-465/sup 0/C and at lithium activities extending from 1.95 X 10/sup -7/ to unity. The results confirmed the applicability of this technique to molten salt systems. The partial electronic conductivity was shown to be much greater than the partial hole conductivity over the range of lithium activities investigated, and was found to increase monotonically with temperature and lithium activity, but decreased on addition of excess LiCl to the eutectic composition. Approximate values of self-discharge currents for cells utilizing an ''Al/LiAl'' negative electrode and a LiCl-KCl molten salt electrolyte have been calculated.

  11. Conducting polymers as electron glasses: surface charge domains and slow relaxation

    PubMed Central

    Ortuño, Miguel; Escasain, Elisa; Lopez-Elvira, Elena; Somoza, Andres M.; Colchero, Jaime; Palacios-Lidon, Elisa

    2016-01-01

    The surface potential of conducting polymers has been studied with scanning Kelvin probe microscopy. The results show that this technique can become an excellent tool to really ‘see’ interesting surface charge interaction effects at the nanoscale. The electron glass model, which assumes that charges are localized by the disorder and that interactions between them are relevant, is employed to understand the complex behavior of conducting polymers. At equilibrium, we find surface potential domains with a typical lateral size of 50 nm, basically uncorrelated with the topography and strongly fluctuating in time. These fluctuations are about three times larger than thermal energy. The charge dynamics is characterized by an exponentially broad time distribution. When the conducting polymers are excited with light the surface potential relaxes logarithmically with time, as usually observed in electron glasses. In addition, the relaxation for different illumination times can be scaled within the full aging model. PMID:26911652

  12. Molecular Conduction through Adlayers: Cooperative Effects can Help or Hamper Electron Transport

    SciTech Connect

    Reuter, Matthew G; Seideman, Tamar; Ratner, Mark A.

    2011-01-01

    We use a one-electron, tight-binding model of a molecular adlayer sandwiched between two metal electrodes to explore how cooperative effects between molecular wires influence electron transport through the adlayer. When compared to an isolated molecular wire, an adlayer exhibits cooperative effects that generally enhance conduction away from an isolated wire s resonance and diminish conductance near such a resonance. We also find that the interwire distance (related to the adlayer density) is a key quantity. Substrate-mediated coupling induces most of the cooperative effects in dense adlayers, whereas direct, interwire coupling (if present) dominates in sparser adlayers. In this manner, cooperative effects through dense adlayers cannot be removed, suggesting an optimal adlayer density for maximizing conduction.

  13. Thermal conductivity of graphene with defects induced by electron beam irradiation

    NASA Astrophysics Data System (ADS)

    Malekpour, Hoda; Ramnani, Pankaj; Srinivasan, Srilok; Balasubramanian, Ganesh; Nika, Denis L.; Mulchandani, Ashok; Lake, Roger K.; Balandin, Alexander A.

    2016-07-01

    We investigate the thermal conductivity of suspended graphene as a function of the density of defects, ND, introduced in a controllable way. High-quality graphene layers are synthesized using chemical vapor deposition, transferred onto a transmission electron microscopy grid, and suspended over ~7.5 μm size square holes. Defects are induced by irradiation of graphene with the low-energy electron beam (20 keV) and quantified by the Raman D-to-G peak intensity ratio. As the defect density changes from 2.0 × 1010 cm-2 to 1.8 × 1011 cm-2 the thermal conductivity decreases from ~(1.8 +/- 0.2) × 103 W mK-1 to ~(4.0 +/- 0.2) × 102 W mK-1 near room temperature. At higher defect densities, the thermal conductivity reveals an intriguing saturation-type behavior at a relatively high value of ~400 W mK-1. The thermal conductivity dependence on the defect density is analyzed using the Boltzmann transport equation and molecular dynamics simulations. The results are important for understanding phonon - point defect scattering in two-dimensional systems and for practical applications of graphene in thermal management.We investigate the thermal conductivity of suspended graphene as a function of the density of defects, ND, introduced in a controllable way. High-quality graphene layers are synthesized using chemical vapor deposition, transferred onto a transmission electron microscopy grid, and suspended over ~7.5 μm size square holes. Defects are induced by irradiation of graphene with the low-energy electron beam (20 keV) and quantified by the Raman D-to-G peak intensity ratio. As the defect density changes from 2.0 × 1010 cm-2 to 1.8 × 1011 cm-2 the thermal conductivity decreases from ~(1.8 +/- 0.2) × 103 W mK-1 to ~(4.0 +/- 0.2) × 102 W mK-1 near room temperature. At higher defect densities, the thermal conductivity reveals an intriguing saturation-type behavior at a relatively high value of ~400 W mK-1. The thermal conductivity dependence on the defect density is

  14. Further improvements in program to calculate electronic properties of narrow band gap materials

    NASA Technical Reports Server (NTRS)

    Patterson, James D.

    1991-01-01

    Research into the properties of narrow band gap materials during the period 15 Jun. to 15 Dec. 1991 is discussed. Abstracts and bibliographies from papers presented during this period are reported. Graphs are provided.

  15. Effect of spin-orbit interaction on the electronic structure of indium-antimonide d bands

    SciTech Connect

    Sobolev, V. V. Perevoshchikov, D. A.

    2015-05-15

    The bands and densities of states of d bands in indium antimonide (InSb) are determined taking into account and disregarding the spin-orbit interaction. It is established that taking into account the effect of spin-orbit interaction results also in a substantial change in the dispersion of the obtained bands instead of only in the doublet splitting of the band of core d levels at ∼(0.79–0.86) eV. It is established that it is indium 4d states with e{sub g} and t{sub 2g} symmetry that give the main contribution to the density of states. The calculations are carried out by the LAPW method with the exchange-correlation potential in the generalized gradient approximation (LAPW + GGA)

  16. Electronic Band Structure, Optical, Thermal and Bonding Properties of XMg2O4(X = Si, Ge) Spinel Compounds

    NASA Astrophysics Data System (ADS)

    Semari, F.; Ouahrani, T.; Khachai, H.; Khenata, R.; Rabah, M.; Bouhemadou, A.; Murtaza, G.; Amin, B.; Rached, D.

    2013-07-01

    Bonding nature as well as structural, optoelectronic and thermal properties of the cubic XMg2O4(X = Si, Ge) spinel compounds have been calculated using a full-potential augmented plane-wave plus local orbitals (FP-APW+lo) method within the density functional theory. The exchange-correlation potential was treated with the PBE-GGA approximation to calculate the total energy. Moreover, the modified Becke-Johnson potential (TB-mBJ) was also applied to improve the electronic band structure calculations. The computed ground-state parameters (a, B, B‧ and u) are in excellent agreements with the available theoretical data. Calculations of the electronic band structure and bonding properties show that these compounds have a direct energy band gap (Γ-Γ) with a dominated ionic character and the TB-mBJ approximation yields larger fundamental band gaps compared to those obtained using the PBE-GGA. Optical properties such as the complex dielectric function ɛ(ω), reflectivity R(ω) and energy loss function L(ω), for incident photon energy up to 40 eV, have been predicted. Through the quasi-harmonic Debye model, in which the phononic effects are considered, the effects of pressure P and temperature T on the thermal expansion coefficient, Debye temperature and heat capacity for the considered compounds are investigated for the first time.

  17. The electronic band character of Ru dichalcogenides and its significance for the photoelectrolysis of water

    NASA Astrophysics Data System (ADS)

    Kühne, H.-M.; Jaegermann, W.; Tributsch, H.

    1984-11-01

    Electrodes of Ru dichalcogenides show different electrochemical behavior in contact with aqeuous electrolytes. Whereas RuS 2 is most stable, considerable anodic corrosion occurs at RuSe 2 and RuTe 2. XPS measurements performed to analyse surface species, formed after electrochemical treatment, and to identify the band character of the compounds. A correlation between variations in valence band character and the kinetics of the dissolution reaction is suggested.

  18. Signature of Carrier-Induced Ferromagnetism in Ti1-xCoxO2-δ: Exchange Interaction between High-Spin Co2+ and the Ti 3d Conduction Band

    NASA Astrophysics Data System (ADS)

    Quilty, J. W.; Shibata, A.; Son, J.-Y.; Takubo, K.; Mizokawa, T.; Toyosaki, H.; Fukumura, T.; Kawasaki, M.

    2006-01-01

    X-ray photoemission spectroscopy measurements were performed on thin-film samples of rutile Ti1-xCoxO2-δ to reveal the electronic structure. The Co 2p core-level spectra indicate that the Co ions take the high-spin Co2+ configuration, consistent with substitution on the Ti site. The high-spin state and the shift due to the exchange splitting of the conduction band suggest strong hybridization between carriers in the Ti 3d t2g band and the t2g states of the high-spin Co+2. These observations support the argument that room temperature ferromagnetism in Ti1-xCoxO2-δ is intrinsic.

  19. Investigation on the radiation induced conductivity of space-applied polyimide under cyclic electron irradiation

    NASA Astrophysics Data System (ADS)

    Yue, Long; Wu, Yiyong; Sun, Chengyue; Xiao, Jingdong; Shi, Yaping; Ma, Guoliang; He, Shiyu

    2012-11-01

    Radiation induced conductivity (RIC) is an important property of dielectric materials to evaluate the charge/discharge effect in orbit-service spacecraft. RIC of space-applied polyimide film was in situ measured and studied under continuous and cyclic electron irradiation in this paper. The results indicate that, for cyclic electron irradiation, there is a similar increasing-mode of RIC to those for continuous irradiation with the electron irradiation time. However, under the cyclic electron irradiation, the RIC of polyimide shows an obvious irradiation-history characteristic, namely preliminary irradiation dose effect (PIDE). In this case, the steady RIC value presents an "overshoot" behavior in the first few irradiation cycles and then decrease to a stable one as that under continuous irradiation. Prolonging the initial irradiation duration may avoid occurrence of overshoot phenomenon. The behaviors of irradiation-induced free radicals in polyimide could be applied to explain the RIC evolution processes.

  20. Parasitic Currents Caused by Different Ionic and Electronic Conductivities in Fuel Cell Anodes.

    PubMed

    Schalenbach, Maximilian; Zillgitt, Marcel; Maier, Wiebke; Stolten, Detlef

    2015-07-29

    The electrodes in fuel cells simultaneously realize electric and ionic conductivity. In the case of acidic polymer electrolytes, the electrodes are typically made of composites of carbon-supported catalyst and Nafion polymer electrolyte binder. In this study, the interaction of the proton conduction, the electron conduction, and the electrochemical hydrogen conversion in such composite electrode materials was examined. Exposed to a hydrogen atmosphere, these composites displayed up to 10-fold smaller resistivities for the proton conduction than that of Nafion membranes. This effect was ascribed to the simultaneously occurring electrochemical hydrogen oxidation and evolution inside the composite samples, which are driven by different proton and electron resistivities. The parasitic electrochemical currents resulting were postulated to occur in the anode of fuel cells with polymer, solid oxide, or liquid alkaline electrolytes, when the ohmic drop of the ion conduction in the anode is higher with the anodic kinetic overvoltage (as illustrated in the graphical abstract). In this case, the parasitic electrochemical currents increase the anodic kinetic overpotential and the ohmic drop in the anode. Thinner fuel cell anodes with smaller ohmic drops for the ion conduction may reduce the parasitic electrochemical currents.

  1. Impact of Lone-Pair Electrons on Thermal Conductivity in CuSbS2 Compound

    NASA Astrophysics Data System (ADS)

    Du, Baoli; Zhang, Ruizhi; Chen, Kan; Reece, Michael; Material research institute Team

    Compounds with intrinsically low lattice thermal conductivity are of practical importance for thermoelectric energy conversion. Recent studies suggest that s2 lone pair orbital electrons are a key contributing factor to the anomalously low lattice thermal conductivity of chalcogenide compounds that contain a nominally trivalent group VA element. CuSbS2 has an orthorhombic structure with space group Pnma. The pyramidal SbS5 units are separated by CuS4 tetrahedron so that the base of the square pyramidal units are aligned to face one another, thus directing the Sb lone pair electron density into the void separating the SbS5 units. Different from tetrahedrite, all the Cu atoms are bonded in the CuS4 tetrahedron. So, it has a perfect structure to study the influence of electron lone pair on thermal conductivity without the impact from trigonal coordinated Cu. In this work, the trivalent transition metal atom Fe and IIIA atom Ga without lone-pair electrons were chosen to substitute Sb in CuSbS2. The changes in the bonding environment by foreign atoms and their influences on the thermal properties have been studied and correlated. Marie Curie International Incoming Fellowship of the European Community Human Potential Program under Contract No. PIIF-GA-2013-622847.

  2. Correlative infrared–electron nanoscopy reveals the local structure–conductivity relationship in zinc oxide nanowires

    PubMed Central

    Stiegler, J.M.; Tena-Zaera, R.; Idigoras, O.; Chuvilin, A.; Hillenbrand, R.

    2012-01-01

    High-resolution characterization methods play a key role in the development, analysis and optimization of nanoscale materials and devices. Because of the various material properties, only a combination of different characterization techniques provides a comprehensive understanding of complex functional materials. Here we introduce correlative infrared–electron nanoscopy, a novel method yielding transmission electron microscope and infrared near-field images of one and the same nanostructure. While transmission electron microscopy provides structural information up to the atomic level, infrared near-field imaging yields nanoscale maps of chemical composition and conductivity. We demonstrate the method's potential by studying the relation between conductivity and crystal structure in ZnO nanowire cross-sections. The combination of infrared conductivity maps and the local crystal structure reveals a radial free-carrier gradient, which inversely correlates to the density of extended crystalline defects. Our method opens new avenues for studying the local interplay between structure, conductivity and chemical composition in widely different material systems. PMID:23072801

  3. Low-Charge, Hard X-Ray Free Electron Laser Driven with an X-Band Injector and Accelerator

    SciTech Connect

    Sun, Yipeng; Adolphsen, Chris; Limborg-Deprey, Cecile; Raubenheimer, Tor; Wu, Juhao; /SLAC

    2012-04-17

    After the successful operation of the Free Electron Laser in Hamburg (FLASH) and the Linac Coherent Light Source (LCLS), soft and hard x-ray free electron lasers (FELs) are being built, designed, or proposed at many accelerator laboratories. Acceleration employing lower frequency rf cavities, ranging from L-band to C-band, is usually adopted in these designs. In the first stage bunch compression, higher-frequency harmonic rf system is employed to linearize the beam's longitudinal phase space, which is nonlinearly chirped during the lower frequency rf acceleration process. In this paper, a hard x-ray FEL design using an all X-band accelerator at 11.424 GHz (from photocathode rf gun to linac end) is presented, without the assistance of any harmonic rf linearization. It achieves LCLS-like performance at low charge using X-band linac drivers, which is more versatile, efficient, and compact than ones using S-band or C-band rf technology. It employs initially 42 microns long (rms), low-charge (10 pC) electron bunches from an X-band photoinjector. An overall bunch compression ratio of roughly 100 times is proposed in a two stage bunch compressor system. The start-to-end macroparticle 3D simulation employing several computer codes is presented in this paper, where space charge, wakefields, and incoherent and coherent synchrotron radiation effects are included. Employing an undulator with a short period of 1.5 cm, a Genesis FEL simulation shows successful lasing at a wavelength of 0.15 nm with a pulse length of 2 fs and a power saturation length as short as 20 meters, which is equivalent to LCLS low-charge mode. Its overall length of both accelerators and undulators is 180 meters (much shorter than the effective LCLS overall length of 1230 meters, including an accelerator length of 1100 meters and an undulator length of 130 meters), which makes it possible to be built in places where only limited space is available.

  4. Low-charge, hard x-ray free electron laser driven with an X-band injector and accelerator

    NASA Astrophysics Data System (ADS)

    Sun, Yipeng; Adolphsen, Chris; Limborg-Deprey, Cecile; Raubenheimer, Tor; Wu, Juhao

    2012-03-01

    After the successful operation of the Free Electron Laser in Hamburg (FLASH) and the Linac Coherent Light Source (LCLS), soft and hard x-ray free electron lasers (FELs) are being built, designed, or proposed at many accelerator laboratories. Acceleration employing lower frequency rf cavities, ranging from L-band to C-band, is usually adopted in these designs. In the first stage bunch compression, higher-frequency harmonic rf system is employed to linearize the beam’s longitudinal phase space, which is nonlinearly chirped during the lower frequency rf acceleration process. In this paper, a hard x-ray FEL design using an all X-band accelerator at 11.424 GHz (from photocathode rf gun to linac end) is presented, without the assistance of any harmonic rf linearization. It achieves LCLS-like performance at low charge using X-band linac drivers, which is more versatile, efficient, and compact than ones using S-band or C-band rf technology. It employs initially 42 microns long (rms), low-charge (10 pC) electron bunches from an X-band photoinjector. An overall bunch compression ratio of roughly 100 times is proposed in a two stage bunch compressor system. The start-to-end macroparticle 3D simulation employing several computer codes is presented in this paper, where space charge, wakefields, and incoherent and coherent synchrotron radiation effects are included. Employing an undulator with a short period of 1.5 cm, a Genesis FEL simulation shows successful lasing at a wavelength of 0.15 nm with a pulse length of 2 fs and a power saturation length as short as 20 meters, which is equivalent to LCLS low-charge mode. Its overall length of both accelerators and undulators is 180 meters (much shorter than the effective LCLS overall length of 1230 meters, including an accelerator length of 1100 meters and an undulator length of 130 meters), which makes it possible to be built in places where only limited space is available.

  5. Full counting statistics of vibrationally assisted electronic conduction: Transport and fluctuations of thermoelectric efficiency

    NASA Astrophysics Data System (ADS)

    Agarwalla, Bijay Kumar; Jiang, Jian-Hua; Segal, Dvira

    2015-12-01

    We study the statistical properties of charge and energy transport in electron conducting junctions with electron-phonon interactions, specifically, the thermoelectric efficiency and its fluctuations. The system comprises donor and acceptor electronic states, representing a two-site molecule or a double-quantum-dot system. Electron transfer between metals through the two molecular sites is coupled to a particular vibrational mode which is taken to be either harmonic or anharmonic, a truncated (two-state) spectrum. Considering these models we derive the cumulant generating function in steady state for charge and energy transfer, correct to second order in the electron-phonon interaction, but exact to all orders in the metal-molecule coupling strength. This is achieved by using the nonequilibrium Green's function approach (harmonic mode) and a kinetic quantum master-equation method (anharmonic mode). From the cumulant generating function we calculate the charge current and its noise and the large-deviation function for the thermoelectric efficiency. We demonstrate that at large bias the charge current, differential conductance, and the current noise can identify energetic and structural properties of the junction. We further examine the operation of the junction as a thermoelectric engine and show that while the macroscopic thermoelectric efficiency is indifferent to the nature of the mode (harmonic or anharmonic), efficiency fluctuations do reflect this property.

  6. Electron emission of Au nanoparticles embedded in ZnO for highly conductive oxide

    SciTech Connect

    Huang, Po-Shun; Lee, Jung-Kun; Hoe Kim, Dong

    2014-04-07

    We investigated the effect of embedded Au nanoparticles (Au NPs) on electrical properties of zinc oxide (ZnO) for highly conductive oxide semiconductor. Au NPs in ZnO films influenced both the structural and electrical properties of the mixture films. The electrical resistivity decreases by as much as five orders of magnitude. This is explained by the electron emission from Au NPs to the ZnO matrix. Temperature-dependent Hall effect measurements show that an electron emission mechanism changes from tunneling to thermionic emission at T = 180 K. The electron mobility in the mixture film is mainly limited by the grain boundaries at lower temperature (80-180 K), and the Au/ZnO heterogeneous interface at higher temperature (180-340 K). In addition to the electron emission, embedded Au NPs alter the ZnO matrix microstructure and improve the electron mobility. Compared to the undoped ZnO film, the carrier concentration of the Au NP-embedded ZnO film can be increased by as much as six orders of magnitude with a small change in the carrier mobility. This result suggests a way to circumvent the inherent tradeoff between the carrier concentration and the carrier mobility in transparent conductive oxide (TCO) materials.

  7. Thin film electronic devices with conductive and transparent gas and moisture permeation barriers

    DOEpatents

    Simpson, Lin Jay

    2015-07-28

    Thin film electronic devices (or stacks integrated with a substrate) that include a permeation barrier formed of a thin layer of metal that provides a light transmitting and electrically conductive layer, wherein the electrical conductive layer is formed on a surface of the substrate or device layer such as a transparent conducting material layer with pin holes or defects caused by manufacturing and the thin layer of metal is deposited on the conductive layer and formed from a self-healing metal that forms self-terminating oxides. A permeation plug or block is formed in or adjacent to the thin film of metal at or proximate to the pin holes to block further permeation of contaminants through the pin holes.

  8. Nanojunctions in conducting polypyrrole single nanowire made by focused electron beam: Charge transport characteristics

    SciTech Connect

    Koo, Min Ho; Hong, Young Ki; Park, Dong Hyuk; Jo, Seong Gi; Joo, Jinsoo

    2011-07-15

    A focused electron (E)-beam with various doses was irradiated on the intended positions of conducting polypyrrole (PPy) single nanowire (NW) to fabricate nanojunctions. The current-voltage characteristics and their temperature dependence of the PPy single NW with nanojunctions were measured and analyzed. By increasing the E-beam dose and the number of nanojunctions, the current level of the single NW was dramatically decreased, and the conductance gap became more severe as the temperature decreased. The charge transport behavior varied from three-dimensional variable range hopping to fluctuation induced tunneling models, depending on the dose of focused E-beam. From micro-Raman spectra, the focused E-beam irradiation induced the de-doped states and conformational modification of polymer chains in the nanojunctions. The results suggest that the nanojunctions made by focused E-beam acted as a quasi-potential barrier for charge conduction in the conducting PPy single NW.

  9. Thermal Conductivity Measurement of an Electron-Beam Physical-Vapor-Deposition Coating

    PubMed Central

    Slifka, A. J.; Filla, B. J.

    2003-01-01

    An industrial ceramic thermal-barrier coating designated PWA 266, processed by electron-beam physical-vapor deposition, was measured using a steady-state thermal conductivity technique. The thermal conductivity of the mass fraction 7 % yttria-stabilized zirconia coating was measured from 100 °C to 900 °C. Measurements on three thicknesses of coatings, 170 μm, 350 μm, and 510 μm resulted in thermal conductivity in the range from 1.5 W/(m·K) to 1.7 W/(m·K) with a combined relative standard uncertainty of 20 %. The thermal conductivity is not significantly dependent on temperature. PMID:27413601

  10. Effect of crystal orientation on conductivity and electron mobility in single-crystal alumina

    NASA Technical Reports Server (NTRS)

    Will, Fritz G.; Delorenzi, Horst G.; Janora, Kevin H.

    1992-01-01

    The electrical conductivity of high-purity, single-crystal alumina is determined parallel to and perpendicular to the c-axis. The mean conductivity of four samples of each orientation is a factor 3.3 higher parallel to the c-axis than perpendicular to it. The conductivity as a function of temperature is attributed to extrinsic electron conduction at temperatures from 400 to 900 C, and intrinsic semiconduction at temperatures from 900 to 1300 C. In the high-temperature regime, the slope on all eight specimens is 4.7 +/- 0.1 eV. Hence, the thermal bandgap at O K is 9.4 +/- 0.2 eV.

  11. Effects of Structural Deformation and Tube Chirality on Electronic Conductance of Carbon Nanotubes

    NASA Technical Reports Server (NTRS)

    Svizhenko, Alexei; Maiti, Amitesh; Anantram, M. P.; Biegel, Bryan A. (Technical Monitor)

    2002-01-01

    A combination of large scale classical force-field (UFF), density functional theory (DFT), and tight-binding Green's function transport calculations is used to study the electronic properties of carbon nanotubes under the twist, bending, and atomic force microscope (AFM)-tip deformation. We found that in agreement with experiment a significant change in electronic conductance can be induced by AFM-tip deformation of metallic zigzag tubes and by twist deformation of armchair tubes. The effect is explained in terms of bandstructure change under deformation.

  12. The effects of N-doping and oxygen vacancy on the electronic structure and conductivity of PbTiO3

    NASA Astrophysics Data System (ADS)

    Peijiang, Niu; Jinliang, Yan; Delan, Meng

    2015-04-01

    By using spin-polarized density functional theory calculations, the electron density differences, band structures and density of states of p-type N-doped PbTiO3 have been studied. In addition, the oxygen vacancy in N-doped PbTiO3 is also discussed. After the nitrogen dopant is introduced into the crystal, the N-doped PbTiO3 system is spin-polarized, the spin-down valance bands move to a high energy level and the Fermi energy level moves to the top of the valance bands, finally the band gap is narrowed. In this process, the N-doped PbTiO3 shows typical p-type semiconductor characteristics. When an oxygen vacancy and N impurity coexist in PbTiO3, there is no spin-polarized phenomenon. The conduction bands move downward and the acceptors are found to be fully compensated. The calculation results are mostly consistent with the experimental data. Project supported by the National Natural Science Foundation of China (No. 10974077) and the Innovation Project of Shandong Graduate Education, China (No. SDYY13093).

  13. Conductive resins improve charging and resolution of acquired images in electron microscopic volume imaging

    PubMed Central

    Nguyen, Huy Bang; Thai, Truc Quynh; Saitoh, Sei; Wu, Bao; Saitoh, Yurika; Shimo, Satoshi; Fujitani, Hiroshi; Otobe, Hirohide; Ohno, Nobuhiko

    2016-01-01

    Recent advances in serial block-face imaging using scanning electron microscopy (SEM) have enabled the rapid and efficient acquisition of 3-dimensional (3D) ultrastructural information from a large volume of biological specimens including brain tissues. However, volume imaging under SEM is often hampered by sample charging, and typically requires specific sample preparation to reduce charging and increase image contrast. In the present study, we introduced carbon-based conductive resins for 3D analyses of subcellular ultrastructures, using serial block-face SEM (SBF-SEM) to image samples. Conductive resins were produced by adding the carbon black filler, Ketjen black, to resins commonly used for electron microscopic observations of biological specimens. Carbon black mostly localized around tissues and did not penetrate cells, whereas the conductive resins significantly reduced the charging of samples during SBF-SEM imaging. When serial images were acquired, embedding into the conductive resins improved the resolution of images by facilitating the successful cutting of samples in SBF-SEM. These results suggest that improving the conductivities of resins with a carbon black filler is a simple and useful option for reducing charging and enhancing the resolution of images obtained for volume imaging with SEM. PMID:27020327

  14. Method of forming a dense, high temperature electronically conductive composite layer on a porous ceramic substrate

    DOEpatents

    Isenberg, Arnold O.

    1992-01-01

    An electrochemical device, containing a solid oxide electrolyte material and an electrically conductive composite layer, has the composite layer attached by: (A) applying a layer of LaCrO.sub.3, YCrO.sub.3 or LaMnO.sub.3 particles (32), on a portion of a porous ceramic substrate (30), (B) heating to sinter bond the particles to the substrate, (C) depositing a dense filler structure (34) between the doped particles (32), (D) shaving off the top of the particles, and (E) applying an electronically conductive layer over the particles (32) as a contact.

  15. Method of forming a dense, high temperature electronically conductive composite layer on a porous ceramic substrate

    DOEpatents

    Isenberg, A.O.

    1992-04-21

    An electrochemical device, containing a solid oxide electrolyte material and an electrically conductive composite layer, has the composite layer attached by: (A) applying a layer of LaCrO[sub 3], YCrO[sub 3] or LaMnO[sub 3] particles, on a portion of a porous ceramic substrate, (B) heating to sinter bond the particles to the substrate, (C) depositing a dense filler structure between the doped particles, (D) shaving off the top of the particles, and (E) applying an electronically conductive layer over the particles as a contact. 7 figs.

  16. Experimental Work With Photonic Band Gap Fiber: Building A Laser Electron Accelerator

    SciTech Connect

    Lincoln, Melissa; Ischebeck, Rasmus; Nobel, Robert; Siemann, Robert; /SLAC

    2006-09-29

    In the laser acceleration project E-163 at the Stanford Linear Accelerator Center, work is being done toward building a traveling wave accelerator that uses as its accelerating structure a length of photonic band gap fiber. The small scale of the optical fiber allows radiation at optical wavelengths to be used to provide the necessary accelerating energy. Optical wavelength driving energy in a small structure yields higher accelerating fields. The existence of a speed-of-light accelerating mode in a photonic band gap fiber has been calculated previously [1]. This paper presents an overview of several of the experimental challenges posed in the development of the proposed photonic band gap fiber accelerator system.

  17. Investigation of crystalline and electronic band alignment properties of GaP/Ge(111) heterostructure

    SciTech Connect

    Dixit, V. K.; Kumar, Shailendra; Singh, S. D.; Khamari, S. K.; Kumar, R.; Tiwari, Pragya; Sharma, T. K.; Oak, S. M.; Phase, D. M.

    2014-03-03

    Gallium phosphide (GaP) epitaxial layer and nanostructures are grown on n-Ge(111) substrates using metal organic vapour phase epitaxy. It is confirmed by high resolution x-ray diffraction measurements that the layer is highly crystalline and oriented with the coexistence of two domains, i.e., GaP(111)A and GaP(111)B, with an angle of 60° between them due to the formation of a wurtzite monolayer at the interface. The valence band offset between GaP and Ge is 0.7 ± 0.1 eV as determined from the valence band onsets and from Kraut's method. A band alignment diagram for GaP/Ge/GeOx is also constructed which can be used to design monolithic optoelectronic integrated circuits.

  18. Gallium ion implantation greatly reduces thermal conductivity and enhances electronic one of ZnO nanowires

    SciTech Connect

    Xia, Minggang; Cheng, Zhaofang; Han, Jinyun; Zhang, Shengli; Zheng, Minrui; Sow, Chorng-Haur; Thong, John T. L.; Li, Baowen

    2014-05-15

    The electrical and thermal conductivities are measured for individual zinc oxide (ZnO) nanowires with and without gallium ion (Ga{sup +}) implantation at room temperature. Our results show that Ga{sup +} implantation enhances electrical conductivity by one order of magnitude from 1.01 × 10{sup 3} Ω{sup −1}m{sup −1} to 1.46 × 10{sup 4} Ω{sup −1}m{sup −1} and reduces its thermal conductivity by one order of magnitude from 12.7 Wm{sup −1}K{sup −1} to 1.22 Wm{sup −1}K{sup −1} for ZnO nanowires of 100 nm in diameter. The measured thermal conductivities are in good agreement with those in theoretical simulation. The increase of electrical conductivity origins in electron donor doping by Ga{sup +} implantation and the decrease of thermal conductivity is due to the longitudinal and transverse acoustic phonons scattering by Ga{sup +} point scattering. For pristine ZnO nanowires, the thermal conductivity decreases only two times when its diameter reduces from 100 nm to 46 nm. Therefore, Ga{sup +}-implantation may be a more effective method than diameter reduction in improving thermoelectric performance.

  19. Conductance of a single electron transistor with a retarded dielectric layer in the gate capacitor

    NASA Astrophysics Data System (ADS)

    Udalov, O. G.; Chtchelkatchev, N. M.; Fedorov, S. A.; Beloborodov, I. S.

    2015-11-01

    We study the conductance of a single electron transistor (SET) with a ferroelectric (or dielectric) layer placed in the gate capacitor. We assume that the ferroelectric (FE) has a retarded response with arbitrary relaxation time. We show that in the case of "fast" but still retarded response of the FE (dielectric) layer an additional contribution to the Coulomb blockade effect appears leading to the suppression of the SET conductance. We take into account fluctuations of the FE (dielectric) polarization using Monte Carlo simulations. For "fast" FE, these fluctuations partially suppress the additional Coulomb blockade effect. Using Monte Carlo simulations, we study the transition from "fast" to "slow" FE. For high temperatures, the peak value of the SET conductance is almost independent of the FE relaxation time. For temperatures close to the FE Curie temperature, the conductance peak value nonmonotonically depends on the FE relaxation time. A maximum appears when the FE relaxation time is of the order of the SET discharging time. Below the Curie point the conductance peak value decreases with increasing the FE relaxation time. The conductance shows the hysteresis behavior for any FE relaxation time at temperatures below the FE transition point. We show that conductance hysteresis is robust against FE internal fluctuations.

  20. Importance of the tuning of band position in optimizing the electronic coupling and photocatalytic activity of nanocomposite

    SciTech Connect

    Jin, Xiaoyan; Mok, Eun Kyung; Baek, Ji-Won; Park, Sang-Hyun; Hwang, Seong-Ju

    2015-10-15

    The electronic coupling and photocatalytic activity of Ag{sub 2}CO{sub 3}–TiO{sub 2} nanocomposite can be optimized by the fine-tuning of the band position of titanium oxide with nitrogen doping. The increase of the valence band energy of TiO{sub 2} by N-doping leads not only to the enhanced absorption of visible light but also to the promoted hole transfer from Ag{sub 2}CO{sub 3} to TiO{sub 2}, resulting in the efficient spatial separation of photogenerated electrons and holes. While the undoped Ag{sub 2}CO{sub 3}–TiO{sub 2} nanocomposite shows an inferior photocatalytic activity to the pure Ag{sub 2}CO{sub 3}, the photocatalyst performance of N-doped nanocomposite is better than those of Ag{sub 2}CO{sub 3} and undoped Ag{sub 2}CO{sub 3}–TiO{sub 2} nanocomposite. This observation underscores a significant enhancement of the photocatalytic activity of nanocomposite upon N-doping, a result of enhanced electronic coupling between the hybridized species. The present results clearly demonstrate the importance of the fine-tuning of band position in optimizing the photocatalytic activity of hybrid-type photocatalysts. - Highlights: • The band position of Ag{sub 2}CO{sub 3}–TiO{sub 2} can be effectively tailored by nitrogen doping. • The N-doping leads to the improvement of charge separation. • The N-doped Ag{sub 2}CO{sub 3}–TiO{sub 2} shows high photocatalytic activity.