Energy-banded ions in Saturn's magnetosphere
NASA Astrophysics Data System (ADS)
Thomsen, M. F.; Badman, S. V.; Jackman, C. M.; Jia, X.; Kivelson, M. G.; Kurth, W. S.
2017-05-01
Using data from the Cassini Plasma Spectrometer ion mass spectrometer, we report the first observation of energy-banded ions at Saturn. Observed near midnight at relatively high magnetic latitudes, the banded ions are dominantly H+, and they occupy the range of energies typically associated with the thermal pickup distribution in the inner magnetosphere (L < 10), but their energies decline monotonically with increasing radial distance (or time or decreasing latitude). Their pitch angle distribution suggests a source at low (or slightly southern) latitudes. The band energies, including their pitch angle dependence, are consistent with a bounce-resonant interaction between thermal H+ ions and the standing wave structure of a field line resonance. There is additional evidence in the pitch angle dependence of the band energies that the particles in each band may have a common time of flight from their most recent interaction with the wave, which may have been at slightly southern latitudes. Thus, while the particles are basically bounce resonant, their energization may be dominated by their most recent encounter with the standing wave.
Energy band alignment of antiferroelectric (Pb,La)(Zr,Sn,Ti)O3
NASA Astrophysics Data System (ADS)
Klein, Andreas; Lohaus, Christian; Reiser, Patrick; Dimesso, Lucangelo; Wang, Xiucai; Yang, Tongqing
2017-06-01
The energy band alignment of antiferroelectric (Pb,La)(Zr,Sn,Ti)O3 is studied with photoelectron spectroscopy using interfaces with high work function RuO2 and low work function Sn-doped In2O3 (ITO). It is demonstrated how spectral deconvolution can be used to determine absolute Schottky barrier heights for insulating materials with a high accuracy. Using this approach it is found that the valence band maximum energy of (Pb,La)(Zr,Sn,Ti)O3 is found to be comparable to that of Pb- and Bi-containing ferroelectric materials, which is ∼1 eV higher than that of BaTiO3. The results provide additional evidence for the occupation of the 6s orbitals as origin of the higher valence band maximum, which is directly related to the electrical properties of such compounds. The results also verify that the energy band alignment determined by photoelectron spectroscopy of as-deposited electrodes is not influenced by polarisation. The electronic structure of (Pb,La)(Zr,Sn,Ti)O3 should enable doping of the material without strongly modifying its insulating properties, which is crucial for high energy density capacitors. Moreover, the position of the energy bands should result in a great freedom of selecting electrode materials in terms of avoiding charge injection.
Exotic superconductivity with enhanced energy scales in materials with three band crossings
NASA Astrophysics Data System (ADS)
Lin, Yu-Ping; Nandkishore, Rahul M.
2018-04-01
Three band crossings can arise in three-dimensional quantum materials with certain space group symmetries. The low energy Hamiltonian supports spin one fermions and a flat band. We study the pairing problem in this setting. We write down a minimal BCS Hamiltonian and decompose it into spin-orbit coupled irreducible pairing channels. We then solve the resulting gap equations in channels with zero total angular momentum. We find that in the s-wave spin singlet channel (and also in an unusual d-wave `spin quintet' channel), superconductivity is enormously enhanced, with a possibility for the critical temperature to be linear in interaction strength. Meanwhile, in the p-wave spin triplet channel, the superconductivity exhibits features of conventional BCS theory due to the absence of flat band pairing. Three band crossings thus represent an exciting new platform for realizing exotic superconducting states with enhanced energy scales. We also discuss the effects of doping, nonzero temperature, and of retaining additional terms in the k .p expansion of the Hamiltonian.
Quasiparticle Energies and Band Gaps in Graphene Nanoribbons
NASA Astrophysics Data System (ADS)
Yang, Li; Park, Cheol-Hwan; Son, Young-Woo; Cohen, Marvin L.; Louie, Steven G.
2007-11-01
We present calculations of the quasiparticle energies and band gaps of graphene nanoribbons (GNRs) carried out using a first-principles many-electron Green’s function approach within the GW approximation. Because of the quasi-one-dimensional nature of a GNR, electron-electron interaction effects due to the enhanced screened Coulomb interaction and confinement geometry greatly influence the quasiparticle band gap. Compared with previous tight-binding and density functional theory studies, our calculated quasiparticle band gaps show significant self-energy corrections for both armchair and zigzag GNRs, in the range of 0.5 3.0 eV for ribbons of width 2.4 0.4 nm. The quasiparticle band gaps found here suggest that use of GNRs for electronic device components in ambient conditions may be viable.
Quantitative analysis on electric dipole energy in Rashba band splitting.
Hong, Jisook; Rhim, Jun-Won; Kim, Changyoung; Ryong Park, Seung; Hoon Shim, Ji
2015-09-01
We report on quantitative comparison between the electric dipole energy and the Rashba band splitting in model systems of Bi and Sb triangular monolayers under a perpendicular electric field. We used both first-principles and tight binding calculations on p-orbitals with spin-orbit coupling. First-principles calculation shows Rashba band splitting in both systems. It also shows asymmetric charge distributions in the Rashba split bands which are induced by the orbital angular momentum. We calculated the electric dipole energies from coupling of the asymmetric charge distribution and external electric field, and compared it to the Rashba splitting. Remarkably, the total split energy is found to come mostly from the difference in the electric dipole energy for both Bi and Sb systems. A perturbative approach for long wave length limit starting from tight binding calculation also supports that the Rashba band splitting originates mostly from the electric dipole energy difference in the strong atomic spin-orbit coupling regime.
Quantitative analysis on electric dipole energy in Rashba band splitting
Hong, Jisook; Rhim, Jun-Won; Kim, Changyoung; Ryong Park, Seung; Hoon Shim, Ji
2015-01-01
We report on quantitative comparison between the electric dipole energy and the Rashba band splitting in model systems of Bi and Sb triangular monolayers under a perpendicular electric field. We used both first-principles and tight binding calculations on p-orbitals with spin-orbit coupling. First-principles calculation shows Rashba band splitting in both systems. It also shows asymmetric charge distributions in the Rashba split bands which are induced by the orbital angular momentum. We calculated the electric dipole energies from coupling of the asymmetric charge distribution and external electric field, and compared it to the Rashba splitting. Remarkably, the total split energy is found to come mostly from the difference in the electric dipole energy for both Bi and Sb systems. A perturbative approach for long wave length limit starting from tight binding calculation also supports that the Rashba band splitting originates mostly from the electric dipole energy difference in the strong atomic spin-orbit coupling regime. PMID:26323493
Ultrafast laser-induced modifications of energy bands of non-metal crystals
NASA Astrophysics Data System (ADS)
Gruzdev, Vitaly
2009-10-01
Ultrafast laser-induced variations of electron energy bands of transparent solids significantly influence ionization and conduction-band electron absorption driving the initial stage of laser-induced damage (LID). The mechanisms of the variations are attributed to changing electron functions from bonding to anti-bonding configuration via laser-induced ionization; laser-driven electron oscillations in quasi-momentum space; and direct distortion of the inter-atomic potential by electric field of laser radiation. The ionization results in the band-structure modification via accumulation of broken chemical bonds between atoms and provides significant contribution to the overall modification only when enough excited electrons are accumulated in the conduction band. The oscillations are associated with modification of electron energy by pondermotive potential of the oscillations. The direct action of radiation's electric field leads to specific high-frequency Franz-Keldysh effect (FKE) spreading the allowed electron states into the bands of forbidden energy. Those processes determine the effective band gap that is a laser-driven energy gap between the modified electron energy bands. Among those mechanisms, the latter two provide reversible band-structure modification that takes place from the beginning of the ionization and are, therefore, of special interest due to their strong influence on the initial stage of the ionization. The pondermotive potential results either in monotonous increase or oscillatory variations of the effective band gap that has been taken into account in some ionization models. The classical FKE provides decrease of the band gap. We analyzing the competition between those two opposite trends of the effective-band-gap variations and discuss applications of those effects for considerations of the laser-induced damage and its threshold in transparent solids.
Laser-Induced Modification Of Energy Bands Of Transparent Solids
NASA Astrophysics Data System (ADS)
Gruzdev, Vitaly
2010-10-01
Laser-induced variations of electron energy bands of transparent solids significantly affect the initial stages of laser-induced ablation (LIA) influencing rates of ionization and light absorption by conduction-band electrons. We analyze fast variations with characteristic duration in femto-second time domain that include: 1) switching electron functions from bonding to anti-bonding configuration due to laser-induced ionization; 2) laser-driven oscillations of electrons in quasi-momentum space; and 3) direct distortion of the inter-atomic potential by electric field of laser radiation. Among those effects, the latter two have zero delay and reversibly modify band structure taking place from the beginning of laser action. They are of special interest due to their strong influence on the initial stage and threshold of laser ablation. The oscillations modify the electron-energy bands by adding pondermotive potential. The direct action of radiation's electric field leads to high-frequency Franz-Keldysh effect (FKE) spreading the allowed electron states into the forbidden-energy bands. FKE provides decrease of the effective band gap while the electron oscillations lead either to monotonous increase or oscillatory variations of the gap. We analyze the competition between those two opposite trends and their role in initiating LIA.
Calculation of Energy Diagram of Asymmetric Graded-Band-Gap Semiconductor Superlattices.
Monastyrskii, Liubomyr S; Sokolovskii, Bogdan S; Alekseichyk, Mariya P
2017-12-01
The paper theoretically investigates the peculiarities of energy diagram of asymmetric graded-band-gap superlattices with linear coordinate dependences of band gap and electron affinity. For calculating the energy diagram of asymmetric graded-band-gap superlattices, linearized Poisson's equation has been solved for the two layers forming a period of the superlattice. The obtained coordinate dependences of edges of the conduction and valence bands demonstrate substantial transformation of the shape of the energy diagram at changing the period of the lattice and the ratio of width of the adjacent layers. The most marked changes in the energy diagram take place when the period of lattice is comparable with the Debye screening length. In the case when the lattice period is much smaller that the Debye screening length, the energy diagram has the shape of a sawtooth-like pattern.
Quasiparticle energy bands and Fermi surfaces of monolayer NbSe2
NASA Astrophysics Data System (ADS)
Kim, Sejoong; Son, Young-Woo
2017-10-01
A quasiparticle band structure of a single layer 2 H -NbSe2 is reported by using first-principles G W calculation. We show that a self-energy correction increases the width of a partially occupied band and alters its Fermi surface shape when comparing those using conventional mean-field calculation methods. Owing to a broken inversion symmetry in the trigonal prismatic single layer structure, the spin-orbit interaction is included and its impact on the Fermi surface and quasiparticle energy bands are discussed. We also calculate the doping dependent static susceptibilities from the band structures obtained by the mean-field calculation as well as G W calculation with and without spin-orbit interactions. A complete tight-binding model is constructed within the three-band third nearest neighbor hoppings and is shown to reproduce our G W quasiparticle energy bands and Fermi surface very well. Considering variations of the Fermi surface shapes depending on self-energy corrections and spin-orbit interactions, we discuss the formations of charge density wave (CDW) with different dielectric environments and their implications on recent controversial experimental results on CDW transition temperatures.
Energy bands and acceptor binding energies of GaN
NASA Astrophysics Data System (ADS)
Xia, Jian-Bai; Cheah, K. W.; Wang, Xiao-Liang; Sun, Dian-Zhao; Kong, Mei-Ying
1999-04-01
The energy bands of zinc-blende and wurtzite GaN are calculated with the empirical pseudopotential method, and the pseudopotential parameters for Ga and N atoms are given. The calculated energy bands are in agreement with those obtained by the ab initio method. The effective-mass theory for the semiconductors of wurtzite structure is established, and the effective-mass parameters of GaN for both structures are given. The binding energies of acceptor states are calculated by solving strictly the effective-mass equations. The binding energies of donor and acceptor are 24 and 142 meV for the zinc-blende structure, 20 and 131, and 97 meV for the wurtzite structure, respectively, which are consistent with recent experimental results. It is proposed that there are two kinds of acceptor in wurtzite GaN. One kind is the general acceptor such as C, which substitutes N, which satisfies the effective-mass theory. The other kind of acceptor includes Mg, Zn, Cd, etc., the binding energy of these acceptors is deviated from that given by the effective-mass theory. In this report, wurtzite GaN is grown by the molecular-beam epitaxy method, and the photoluminescence spectra were measured. Three main peaks are assigned to the donor-acceptor transitions from two kinds of acceptors. Some of the transitions were identified as coming from the cubic phase of GaN, which appears randomly within the predominantly hexagonal material.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Inaoka, Takeshi, E-mail: inaoka@phys.u-ryukyu.ac.jp; Furukawa, Takuro; Toma, Ryo
By means of a hybrid density-functional method, we investigate the tensile-strain effect of inducing the indirect-to-direct band-gap transition and reducing the band-gap energy of Ge. We consider [001], [111], and [110] uniaxial tensility and (001), (111), and (110) biaxial tensility. Under the condition of no normal stress, we determine both normal compression and internal strain, namely, relative displacement of two atoms in the primitive unit cell, by minimizing the total energy. We identify those strain types which can induce the band-gap transition, and evaluate the critical strain coefficient where the gap transition occurs. Either normal compression or internal strain operatesmore » unfavorably to induce the gap transition, which raises the critical strain coefficient or even blocks the transition. We also examine how each type of tensile strain decreases the band-gap energy, depending on its orientation. Our analysis clearly shows that synergistic operation of strain orientation and band anisotropy has a great influence on the gap transition and the gap energy.« less
Band gap and band offset of (GaIn)(PSb) lattice matched to InP
NASA Astrophysics Data System (ADS)
Köhler, F.; Böhm, G.; Meyer, R.; Amann, M.-C.
2005-07-01
Metastable (GaxIn1-x)(PySb1-y) layers were grown on (001) InP substrates by gas source molecular beam epitaxy. Low-temperature photoluminescence spectroscopy was applied to these heterostructures and revealed spatially indirect band-to-band recombination of electrons localized in the InP with holes in the (GaxIn1-x)(PySb1-y). In addition, samples with layer thicknesses larger than 100nm showed direct PL across the band gap of (GaxIn1-x)(PySb1-y). Band-gap energies and band offset energies of (GaxIn1-x)(PySb1-y) relative to InP were derived from these PL data. A strong bowing parameter was observed.
Improved cache performance in Monte Carlo transport calculations using energy banding
NASA Astrophysics Data System (ADS)
Siegel, A.; Smith, K.; Felker, K.; Romano, P.; Forget, B.; Beckman, P.
2014-04-01
We present an energy banding algorithm for Monte Carlo (MC) neutral particle transport simulations which depend on large cross section lookup tables. In MC codes, read-only cross section data tables are accessed frequently, exhibit poor locality, and are typically too much large to fit in fast memory. Thus, performance is often limited by long latencies to RAM, or by off-node communication latencies when the data footprint is very large and must be decomposed on a distributed memory machine. The proposed energy banding algorithm allows maximal temporal reuse of data in band sizes that can flexibly accommodate different architectural features. The energy banding algorithm is general and has a number of benefits compared to the traditional approach. In the present analysis we explore its potential to achieve improvements in time-to-solution on modern cache-based architectures.
A novel theoretical model for the temperature dependence of band gap energy in semiconductors
NASA Astrophysics Data System (ADS)
Geng, Peiji; Li, Weiguo; Zhang, Xianhe; Zhang, Xuyao; Deng, Yong; Kou, Haibo
2017-10-01
We report a novel theoretical model without any fitting parameters for the temperature dependence of band gap energy in semiconductors. This model relates the band gap energy at the elevated temperature to that at the arbitrary reference temperature. As examples, the band gap energies of Si, Ge, AlN, GaN, InP, InAs, ZnO, ZnS, ZnSe and GaAs at temperatures below 400 K are calculated and are in good agreement with the experimental results. Meanwhile, the band gap energies at high temperatures (T > 400 K) are predicted, which are greater than the experimental results, and the reasonable analysis is carried out as well. Under low temperatures, the effect of lattice expansion on the band gap energy is very small, but it has much influence on the band gap energy at high temperatures. Therefore, it is necessary to consider the effect of lattice expansion at high temperatures, and the method considering the effect of lattice expansion has also been given. The model has distinct advantages compared with the widely quoted Varshni’s semi-empirical equation from the aspect of modeling, physical meaning and application. The study provides a convenient method to determine the band gap energy under different temperatures.
NASA Astrophysics Data System (ADS)
Hong, Joon Goo
Aggressive scaling of devices has continued to improve MOSFET transistor performance. As lateral device dimensions continue to decrease, gate oxide thickness must be scaled down. As one of the promising high k alternative gate oxide materials, HfO2 and its silicates were investigated to understand their direct tunneling behavior by studying band offset energies with spectroscopy and electrical characterization. Local bonding change of remote plasma deposited (HfO2)x(SiO 2)1-x alloys were characterized by Fourier transform infrared (FTIR) spectroscopy, x-ray photoelectron spectroscopy (XPS), and Auger electron spectroscopy (AES) as a function of alloy composition, x. Two different precursors with Hf Nitrato and Hf-tert-butoxide were tested to have amorphous deposition. Film composition was determined off-line by Rutherford backscattering spectroscopy (RBS) and these results were calibrated with on-line AES. As deposited Hf-silicate alloys were characterized by off-line XPS and AES for their chemical shifts interpreting with a partial charge transfer model as well as coordination changes. Sigmoidal dependence of valence band offset energies was observed. Hf 5d* state is fixed at the bottom of the conduction band and located at 1.3 +/- 0.2 eV above the top of the Si conduction band as a conduction band offset by x-ray absorption spectroscopy (XAS). Optical band gap energy changes were observed with vacuum ultra violet spectroscopic ellipsometry (VUVSE) to verify compositional dependence of conduction and valence band offset energy changes. 1 nm EOT normalized tunneling current with Wentzel-Kramer-Brillouin (WKB) simulation based on the band offset study and Franz two band model showed the minimum at the intermediate composition matching with the experimental data. Non-linear trend in tunneling current was observed because the increases in physical thickness were mitigated by reductions in band offset energies and effective mass for tunneling. C-V curves were compared
The calculation of band gap energy in zinc oxide films
NASA Astrophysics Data System (ADS)
Arif, Ali; Belahssen, Okba; Gareh, Salim; Benramache, Said
2015-01-01
We investigated the optical properties of undoped zinc oxide thin films as the n-type semiconductor; the thin films were deposited at different precursor molarities by ultrasonic spray and spray pyrolysis techniques. The thin films were deposited at different substrate temperatures ranging between 200 and 500 °C. In this paper, we present a new approach to control the optical gap energy of ZnO thin films by concentration of the ZnO solution and substrate temperatures from experimental data, which were published in international journals. The model proposed to calculate the band gap energy with the Urbach energy was investigated. The relation between the experimental data and theoretical calculation suggests that the band gap energies are predominantly estimated by the Urbach energies, film transparency, and concentration of the ZnO solution and substrate temperatures. The measurements by these proposal models are in qualitative agreements with the experimental data; the correlation coefficient values were varied in the range 0.96-0.99999, indicating high quality representation of data based on Equation (2), so that the relative errors of all calculation are smaller than 4%. Thus, one can suppose that the undoped ZnO thin films are chemically purer and have many fewer defects and less disorder owing to an almost complete chemical decomposition and contained higher optical band gap energy.
Energy band gap and optical transition of metal ion modified double crossover DNA lattices.
Dugasani, Sreekantha Reddy; Ha, Taewoo; Gnapareddy, Bramaramba; Choi, Kyujin; Lee, Junwye; Kim, Byeonghoon; Kim, Jae Hoon; Park, Sung Ha
2014-10-22
We report on the energy band gap and optical transition of a series of divalent metal ion (Cu(2+), Ni(2+), Zn(2+), and Co(2+)) modified DNA (M-DNA) double crossover (DX) lattices fabricated on fused silica by the substrate-assisted growth (SAG) method. We demonstrate how the degree of coverage of the DX lattices is influenced by the DX monomer concentration and also analyze the band gaps of the M-DNA lattices. The energy band gap of the M-DNA, between the lowest unoccupied molecular orbital (LUMO) and the highest occupied molecular orbital (HOMO), ranges from 4.67 to 4.98 eV as judged by optical transitions. Relative to the band gap of a pristine DNA molecule (4.69 eV), the band gap of the M-DNA lattices increases with metal ion doping up to a critical concentration and then decreases with further doping. Interestingly, except for the case of Ni(2+), the onset of the second absorption band shifts to a lower energy until a critical concentration and then shifts to a higher energy with further increasing the metal ion concentration, which is consistent with the evolution of electrical transport characteristics. Our results show that controllable metal ion doping is an effective method to tune the band gap energy of DNA-based nanostructures.
NASA Astrophysics Data System (ADS)
Klubnuan, Sarunya; Suwanboon, Sumetha; Amornpitoksuk, Pongsaton
2016-03-01
The dependence of the crystallite size and the band tail energy on the optical properties, particle shape and oxygen vacancy of different ZnO nanostructures to catalyse photocatalytic degradation was investigated. The ZnO nanoplatelets and mesh-like ZnO lamellae were synthesized from the PEO19-b-PPO3 modified zinc acetate dihydrate using aqueous KOH and CO(NH2)2 solutions, respectively via a hydrothermal method. The band tail energy of the ZnO nanostructures had more influence on the band gap energy than the crystallite size. The photocatalytic degradation of methylene blue increased as a function of the irradiation time, the amount of oxygen vacancy and the intensity of the (0 0 0 2) plane. The ZnO nanoplatelets exhibited a better photocatalytic degradation of methylene blue than the mesh-like ZnO lamellae due to the migration of the photoelectrons and holes to the (0 0 0 1) and (0 0 0 -1) planes, respectively under the internal electric field, that resulted in the enhancement of the photocatalytic activities.
NASA Astrophysics Data System (ADS)
Saniz, R.; Xu, Y.; Matsubara, M.; Amini, M. N.; Dixit, H.; Lamoen, D.; Partoens, B.
2013-01-01
The calculation of defect levels in semiconductors within a density functional theory approach suffers greatly from the band gap problem. We propose a band gap correction scheme that is based on the separation of energy differences in electron addition and relaxation energies. We show that it can predict defect levels with a reasonable accuracy, particularly in the case of defects with conduction band character, and yet is simple and computationally economical. We apply this method to ZnO doped with group III elements (Al, Ga, In). As expected from experiment, the results indicate that Zn substitutional doping is preferred over interstitial doping in Al, Ga, and In-doped ZnO, under both zinc-rich and oxygen-rich conditions. Further, all three dopants act as shallow donors, with the +1 charge state having the most advantageous formation energy. Also, doping effects on the electronic structure of ZnO are sufficiently mild so as to affect little the fundamental band gap and lowest conduction bands dispersion, which secures their n-type transparent conducting behavior. A comparison with the extrapolation method based on LDA+U calculations and with the Heyd-Scuseria-Ernzerhof hybrid functional (HSE) shows the reliability of the proposed scheme in predicting the thermodynamic transition levels in shallow donor systems.
ERIC Educational Resources Information Center
Precker, Jurgen W.
2007-01-01
The wavelength of the light emitted by a light-emitting diode (LED) is intimately related to the band-gap energy of the semiconductor from which the LED is made. We experimentally estimate the band-gap energies of several types of LEDs, and compare them with the energies of the emitted light, which ranges from infrared to white. In spite of…
Energy dependence of the band-limited noise in black hole X-ray binaries★
NASA Astrophysics Data System (ADS)
Stiele, H.; Yu, W.
2015-10-01
Black hole low-mass X-ray binaries show a variety of variability features, which manifest as narrow peak-like structures superposed on broad noise components in power density spectra in the hard X-ray emission. In this work, we study variability properties of the band-limited noise component during the low-hard state for a sample of black hole X-ray binaries. We investigate the characteristic frequency and amplitude of the band-limited noise component and study covariance spectra. For observations that show a noise component with a characteristic frequency above 1 Hz in the hard energy band (4-8 keV), we found this very same component at a lower frequency in the soft band (1-2 keV). This difference in characteristic frequency is an indication that while both the soft and the hard band photons contribute to the same band-limited noise component, which likely represents the modulation of the mass accretion rate, the origin of the soft photons is actually further away from the black hole than the hard photons. Thus, the soft photons are characterized by larger radii, lower frequencies and softer energies, and are probably associated with a smaller optical depth for Comptonization up-scattering from the outer layer of the corona, or suggest a temperature gradient of the corona. We interpret this energy dependence within the picture of energy-dependent power density states as a hint that the contribution of the up-scattered photons originating in the outskirts of the Comptonizing corona to the overall emission in the soft band is becoming significant.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Nishio, Yui; Yamaguchi, Satoshi; Yamazaki, Youichi
2013-12-04
We determined rigorously the energy states of a two-dimensional electron gas (2DEG) in high electron mobility transistors (HEMTs) with a pseudomorphically strained InAs channel (InAs PHEMTs) taking into account the non-parabolicity of the conduction band for InAs. The sheet carrier concentration of 2DEG for the non-parabolic energy band was about 50% larger than that for the parabolic energy band and most of the electrons are confined strongly in the InAs layer. In addition, the threshold voltage for InAs PHEMTs was about 0.21 V lower than that for conventional InGaAs HEMTs.
Band Edge Dynamics and Multiexciton Generation in Narrow Band Gap HgTe Nanocrystals.
Livache, Clément; Goubet, Nicolas; Martinez, Bertille; Jagtap, Amardeep; Qu, Junling; Ithurria, Sandrine; Silly, Mathieu G; Dubertret, Benoit; Lhuillier, Emmanuel
2018-04-11
Mercury chalcogenide nanocrystals and especially HgTe appear as an interesting platform for the design of low cost mid-infrared (mid-IR) detectors. Nevertheless, their electronic structure and transport properties remain poorly understood, and some critical aspects such as the carrier relaxation dynamics at the band edge have been pushed under the rug. Some of the previous reports on dynamics are setup-limited, and all of them have been obtained using photon energy far above the band edge. These observations raise two main questions: (i) what are the carrier dynamics at the band edge and (ii) should we expect some additional effect (multiexciton generation (MEG)) as such narrow band gap materials are excited far above the band edge? To answer these questions, we developed a high-bandwidth setup that allows us to understand and compare the carrier dynamics resonantly pumped at the band edge in the mid-IR and far above the band edge. We demonstrate that fast (>50 MHz) photoresponse can be obtained even in the mid-IR and that MEG is occurring in HgTe nanocrystal arrays with a threshold around 3 times the band edge energy. Furthermore, the photoresponse can be effectively tuned in magnitude and sign using a phototransistor configuration.
Energy level alignment and band bending at organic interfaces
NASA Astrophysics Data System (ADS)
Seki, Kazuhiko; Oji, Hiroshi; Ito, Eisuke; Hayashi, Naoki; Ouchi, Yukio; Ishii, Hisao
1999-12-01
Recent progress in the study of the energy level alignment and band bending at organic interfaces is reviewed, taking the examples mainly from the results of the group of the authors using ultraviolet photoelectron spectroscopy (UPS), metastable atom electron spectroscopy (MAES), and Kelvin probe method (KPM). As for the energy level alignment right at the interface, the formation of an electric dipole layer is observed for most of the organic/metal interfaces, even when no significant chemical interaction is observed. The origin of this dipole layer is examined by accumulating the data of various combinations of organics and metals, and the results indicate combined contribution from (1) charge transfer (CT) between the organic molecule and the metal, and (2) pushback of the electrons spilled out from metal surface, for the case of nonpolar organic molecule physisorbed on metals. Other factors such as chemical interaction and the orientation of polar molecules are also pointed out. As for the band bending, the careful examination of the existence/absence of band bending of purified TPD* molecule deposited on various metals in ultrahigh vacuum (UHV) revealed negligible band bending up to 100 nm thickness, and also the failure of the establishment of Fermi level alignment between organic layer and the metals. The implications of these findings are discussed, in relation to the future prospects of the studies in this field. (*:N,N'- diphenyl-N,N'-(3-methylphenyl)-1,1'-biphenyl-4,4'-diamine).
NASA Astrophysics Data System (ADS)
Takane, Daichi; Nakayama, Kosuke; Souma, Seigo; Wada, Taichi; Okamoto, Yoshihiko; Takenaka, Koshi; Yamakawa, Youichi; Yamakage, Ai; Mitsuhashi, Taichi; Horiba, Koji; Kumigashira, Hiroshi; Takahashi, Takashi; Sato, Takafumi
2018-01-01
One of key challenges in current material research is to search for new topological materials with inverted bulk-band structure. In topological insulators, the band inversion caused by strong spin-orbit coupling leads to opening of a band gap in the entire Brillouin zone, whereas an additional crystal symmetry such as point-group and nonsymmorphic symmetries sometimes prohibits the gap opening at/on specific points or line in momentum space, giving rise to topological semimetals. Despite many theoretical predictions of topological insulators/semimetals associated with such crystal symmetries, the experimental realization is still relatively scarce. Here, using angle-resolved photoemission spectroscopy with bulk-sensitive soft-x-ray photons, we experimentally demonstrate that hexagonal pnictide CaAgAs belongs to a new family of topological insulators characterized by the inverted band structure and the mirror reflection symmetry of crystal. We have established the bulk valence-band structure in three-dimensional Brillouin zone, and observed the Dirac-like energy band and ring-torus Fermi surface associated with the line node, where bulk valence and conducting bands cross on a line in the momentum space under negligible spin-orbit coupling. Intriguingly, we found that no other bands cross the Fermi level and therefore the low-energy excitations are solely characterized by the Dirac-like band. CaAgAs provides an excellent platform to study the interplay among low-energy electron dynamics, crystal symmetry, and exotic topological properties.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Zhang, G. Y.; Gao, X. -L.; Bishop, J. E.
Here, a new model for determining band gaps for elastic wave propagation in a periodic composite beam structure is developed using a non-classical Bernoulli–Euler beam model that incorporates the microstructure, surface energy and rotational inertia effects. The Bloch theorem and transfer matrix method for periodic structures are employed in the formulation. The new model reduces to the classical elasticity-based model when both the microstructure and surface energy effects are not considered. The band gaps predicted by the new model depend on the microstructure and surface elasticity of each constituent material, the unit cell size, the rotational inertia, and the volumemore » fraction. To quantitatively illustrate the effects of these factors, a parametric study is conducted. The numerical results reveal that the band gap predicted by the current non-classical model is always larger than that predicted by the classical model when the beam thickness is very small, but the difference is diminishing as the thickness becomes large. Also, it is found that the first frequency for producing the band gap and the band gap size decrease with the increase of the unit cell length according to both the current and classical models. In addition, it is observed that the effect of the rotational inertia is larger when the exciting frequency is higher and the unit cell length is smaller. Furthermore, it is seen that the volume fraction has a significant effect on the band gap size, and large band gaps can be obtained by tailoring the volume fraction and material parameters.« less
Zhang, G. Y.; Gao, X. -L.; Bishop, J. E.; ...
2017-11-20
Here, a new model for determining band gaps for elastic wave propagation in a periodic composite beam structure is developed using a non-classical Bernoulli–Euler beam model that incorporates the microstructure, surface energy and rotational inertia effects. The Bloch theorem and transfer matrix method for periodic structures are employed in the formulation. The new model reduces to the classical elasticity-based model when both the microstructure and surface energy effects are not considered. The band gaps predicted by the new model depend on the microstructure and surface elasticity of each constituent material, the unit cell size, the rotational inertia, and the volumemore » fraction. To quantitatively illustrate the effects of these factors, a parametric study is conducted. The numerical results reveal that the band gap predicted by the current non-classical model is always larger than that predicted by the classical model when the beam thickness is very small, but the difference is diminishing as the thickness becomes large. Also, it is found that the first frequency for producing the band gap and the band gap size decrease with the increase of the unit cell length according to both the current and classical models. In addition, it is observed that the effect of the rotational inertia is larger when the exciting frequency is higher and the unit cell length is smaller. Furthermore, it is seen that the volume fraction has a significant effect on the band gap size, and large band gaps can be obtained by tailoring the volume fraction and material parameters.« less
Branch-point energies and the band-structure lineup at Schottky contacts and heterostrucures
NASA Astrophysics Data System (ADS)
Mönch, Winfried
2011-06-01
Empirical branch-point energies of Si, the group-III nitrides AlN, GaN, and InN, and the group-II and group-III oxides MgO, ZnO, Al2O3 and In2O3 are determined from experimental valance-band offsets of their heterostructures. For Si, GaN, and MgO, these values agree with the branch-point energies obtained from the barrier heights of their Schottky contacts. The empirical branch-point energies of Si and the group-III nitrides are in very good agreement with results of previously published calculations using quite different approaches such as the empirical tight-binding approximation and modern electronic-structure theory. In contrast, the empirical branch-point energies of the group-II and group-III oxides do not confirm the respective theoretical results. As at Schottky contacts, the band-structure lineup at heterostructures is also made up of a zero-charge-transfer term and an intrinsic electric-dipole contribution. Hence, valence-band offsets are not equal to the difference of the branch-point energies of the two semiconductors forming the heterostructure. The electric-dipole term may be described by the electronegativity difference of the two solids in contact. A detailed analysis of experimental Si Schottky barrier heights and heterostructure valence-band offsets explains and proves these conclusions.
Atomistic potentials based energy flux integral criterion for dynamic adiabatic shear banding
NASA Astrophysics Data System (ADS)
Xu, Yun; Chen, Jun
2015-02-01
The energy flux integral criterion based on atomistic potentials within the framework of hyperelasticity-plasticity is proposed for dynamic adiabatic shear banding (ASB). System Helmholtz energy decomposition reveals that the dynamic influence on the integral path dependence is originated from the volumetric strain energy and partial deviatoric strain energy, and the plastic influence only from the rest part of deviatoric strain energy. The concept of critical shear banding energy is suggested for describing the initiation of ASB, which consists of the dynamic recrystallization (DRX) threshold energy and the thermal softening energy. The criterion directly relates energy flux to the basic physical processes that induce shear instability such as dislocation nucleations and multiplications, without introducing ad-hoc parameters in empirical constitutive models. It reduces to the classical path independent J-integral for quasi-static loading and elastic solids. The atomistic-to-continuum multiscale coupling method is used to simulate the initiation of ASB. Atomic configurations indicate that DRX induced microstructural softening may be essential to the dynamic shear localization and hence the initiation of ASB.
Design of a dual band metamaterial absorber for Wi-Fi bands
NASA Astrophysics Data System (ADS)
Alkurt, Fatih Özkan; Baǧmancı, Mehmet; Karaaslan, Muharrem; Bakır, Mehmet; Altıntaş, Olcay; Karadaǧ, Faruk; Akgöl, Oǧuzhan; Ünal, Emin
2018-02-01
The goal of this work is to design and fabrication of a dual band metamaterial based absorber for Wireless Fidelity (Wi-Fi) bands. Wi-Fi has two different operating frequencies such as 2.45 GHz and 5 GHz. A dual band absorber is proposed and the proposed structure consists of two layered unit cells, and different sized square split ring (SSR) resonators located on each layers. Copper is used for metal layer and resonator structure, FR-4 is used as substrate layer in the proposed structure. This designed dual band metamaterial absorber is used in the wireless frequency bands which has two center frequencies such as 2.45 GHz and 5 GHz. Finite Integration Technique (FIT) based simulation software used and according to FIT based simulation results, the absorption peak in the 2.45 GHz is about 90% and the another frequency 5 GHz has absorption peak near 99%. In addition, this proposed structure has a potential for energy harvesting applications in future works.
Tran, Fabien; Blaha, Peter
2017-05-04
Recently, exchange-correlation potentials in density functional theory were developed with the goal of providing improved band gaps in solids. Among them, the semilocal potentials are particularly interesting for large systems since they lead to calculations that are much faster than with hybrid functionals or methods like GW. We present an exhaustive comparison of semilocal exchange-correlation potentials for band gap calculations on a large test set of solids, and particular attention is paid to the potential HLE16 proposed by Verma and Truhlar. It is shown that the most accurate potential is the modified Becke-Johnson potential, which, most noticeably, is much more accurate than all other semilocal potentials for strongly correlated systems. This can be attributed to its additional dependence on the kinetic energy density. It is also shown that the modified Becke-Johnson potential is at least as accurate as the hybrid functionals and more reliable for solids with large band gaps.
Energy diffusion controlled reaction rate of reacting particle driven by broad-band noise
NASA Astrophysics Data System (ADS)
Deng, M. L.; Zhu, W. Q.
2007-10-01
The energy diffusion controlled reaction rate of a reacting particle with linear weak damping and broad-band noise excitation is studied by using the stochastic averaging method. First, the stochastic averaging method for strongly nonlinear oscillators under broad-band noise excitation using generalized harmonic functions is briefly introduced. Then, the reaction rate of the classical Kramers' reacting model with linear weak damping and broad-band noise excitation is investigated by using the stochastic averaging method. The averaged Itô stochastic differential equation describing the energy diffusion and the Pontryagin equation governing the mean first-passage time (MFPT) are established. The energy diffusion controlled reaction rate is obtained as the inverse of the MFPT by solving the Pontryagin equation. The results of two special cases of broad-band noises, i.e. the harmonic noise and the exponentially corrected noise, are discussed in details. It is demonstrated that the general expression of reaction rate derived by the authors can be reduced to the classical ones via linear approximation and high potential barrier approximation. The good agreement with the results of the Monte Carlo simulation verifies that the reaction rate can be well predicted using the stochastic averaging method.
Optical absorption spectra and energy band gap in manganese containing sodium zinc phosphate glasses
NASA Astrophysics Data System (ADS)
Sardarpasha, K. R.; Hanumantharaju, N.; Gowda, V. C. Veeranna
2018-05-01
Optical band gap energy in the system 25Na2O-(75-x)[0.6P2O5-0.4ZnO]-xMnO2 (where x = 0.5,1,5,10 and 20 mol.%) have been studied. The intensity of the absorption band found to increase with increase of MnO2 content. The decrease in the optical band gap energy with increase in MnO2 content in the investigated glasses is attributed to shifting of absorption edge to a longer wavelength region. The obtained results were discussed in view of the structure of phosphate glass network.
Tuning Ferritin’s band gap through mixed metal oxide nanoparticle formation
NASA Astrophysics Data System (ADS)
Olsen, Cameron R.; Embley, Jacob S.; Hansen, Kameron R.; Henrichsen, Andrew M.; Peterson, J. Ryan; Colton, John S.; Watt, Richard K.
2017-05-01
This study uses the formation of a mixed metal oxide inside ferritin to tune the band gap energy of the ferritin mineral. The mixed metal oxide is composed of both Co and Mn, and is formed by reacting aqueous Co2+ with {{{{MnO}}}4}- in the presence of apoferritin. Altering the ratio between the two reactants allowed for controlled tuning of the band gap energies. All minerals formed were indirect band gap materials, with indirect band gap energies ranging from 0.52 to 1.30 eV. The direct transitions were also measured, with energy values ranging from 2.71 to 3.11 eV. Tuning the band gap energies of these samples changes the wavelengths absorbed by each mineral, increasing ferritin’s potential in solar-energy harvesting. Additionally, the success of using {{{{MnO}}}4}- in ferritin mineral formation opens the possibility for new mixed metal oxide cores inside ferritin.
Potential energy surface and vibrational band origins of the triatomic lithium cation
NASA Astrophysics Data System (ADS)
Searles, Debra J.; Dunne, Simon J.; von Nagy-Felsobuki, Ellak I.
The 104 point CISD Li +3 potential energy surface and its analytical representation is reported. The calculations predict the minimum energy geometry to be an equilateral triangle of side RLiLi = 3.0 Å and of energy - 22.20506 E h. A fifth-order Morse—Dunham type analytical force field is used in the Carney—Porter normal co-ordinate vibrational Hamiltonian, the corresponding eigenvalue problem being solved variationally using a 560 configurational finite-element basis set. The predicted assignment of the vibrational band origins is in accord with that reported for H +3. Moreover, for 6Li +3 and 7Li +3 the lowest i.r. accessible band origin is the overlineν0,1,±1 predicted to be at 243.6 and 226.0 cm -1 respectively.
Determination of shift in energy of band edges and band gap of ZnSe spherical quantum dot
NASA Astrophysics Data System (ADS)
Siboh, Dutem; Kalita, Pradip Kumar; Sarma, Jayanta Kumar; Nath, Nayan Mani
2018-04-01
We have determined the quantum confinement induced shifts in energy of band edges and band gap with respect to size of ZnSe spherical quantum dot employing an effective confinement potential model developed in our earlier communication "arXiv:1705.10343". We have also performed phenomenological analysis of our theoretical results in comparison with available experimental data and observe a very good agreement in this regard. Phenomenological success achieved in this regard confirms validity of the confining potential model as well as signifies the capability and applicability of the ansatz for the effective confining potential to have reasonable information in the study of real nano-structured spherical systems.
Inter-band optoelectronic properties in quantum dot structure of low band gap III-V semiconductors
NASA Astrophysics Data System (ADS)
Dey, Anup; Maiti, Biswajit; Chanda Sarkar, Debasree
2014-04-01
A generalized theory is developed to study inter-band optical absorption coefficient (IOAC) and material gain (MG) in quantum dot structures of narrow gap III-V compound semiconductor considering the wave-vector (k→) dependence of the optical transition matrix element. The band structures of these low band gap semiconducting materials with sufficiently separated split-off valance band are frequently described by the three energy band model of Kane. This has been adopted for analysis of the IOAC and MG taking InAs, InSb, Hg1-xCdxTe, and In1-xGaxAsyP1-y lattice matched to InP, as example of III-V compound semiconductors, having varied split-off energy band compared to their bulk band gap energy. It has been found that magnitude of the IOAC for quantum dots increases with increasing incident photon energy and the lines of absorption are more closely spaced in the three band model of Kane than those with parabolic energy band approximations reflecting the direct the influence of energy band parameters. The results show a significant deviation to the MG spectrum of narrow-gap materials having band nonparabolicity compared to the parabolic band model approximations. The results reflect the important role of valence band split-off energies in these narrow gap semiconductors.
NASA Astrophysics Data System (ADS)
Granerød, Cecilie S.; Galeckas, Augustinas; Johansen, Klaus Magnus; Vines, Lasse; Prytz, Øystein
2018-04-01
The optical band gap of ZnO has been measured as a function of temperature using Electron Energy-Loss Spectroscopy (EELS) in a (Scanning) Transmission Electron Microscope ((S)TEM) from approximately 100 K up towards 1000 K. The band gap narrowing shows a close to linear dependency for temperatures above 250 K and is accurately described by Varshni, Bose-Einstein, Pässler and Manoogian-Woolley models. Additionally, the measured band gap is compared with both optical absorption measurements and photoluminescence data. STEM-EELS is here shown to be a viable technique to measure optical band gaps at elevated temperatures, with an available temperature range up to 1500 K and the benefit of superior spatial resolution.
Energy Impacts of Wide Band Gap Semiconductors in U.S. Light-Duty Electric Vehicle Fleet.
Warren, Joshua A; Riddle, Matthew E; Graziano, Diane J; Das, Sujit; Upadhyayula, Venkata K K; Masanet, Eric; Cresko, Joe
2015-09-01
Silicon carbide and gallium nitride, two leading wide band gap semiconductors with significant potential in electric vehicle power electronics, are examined from a life cycle energy perspective and compared with incumbent silicon in U.S. light-duty electric vehicle fleet. Cradle-to-gate, silicon carbide is estimated to require more than twice the energy as silicon. However, the magnitude of vehicle use phase fuel savings potential is comparatively several orders of magnitude higher than the marginal increase in cradle-to-gate energy. Gallium nitride cradle-to-gate energy requirements are estimated to be similar to silicon, with use phase savings potential similar to or exceeding that of silicon carbide. Potential energy reductions in the United States vehicle fleet are examined through several scenarios that consider the market adoption potential of electric vehicles themselves, as well as the market adoption potential of wide band gap semiconductors in electric vehicles. For the 2015-2050 time frame, cumulative energy savings associated with the deployment of wide band gap semiconductors are estimated to range from 2-20 billion GJ depending on market adoption dynamics.
Electronic Band Structure Tuning of Highly-Mismatched-Alloys for Energy Conversion Applications
NASA Astrophysics Data System (ADS)
Ting, Min
Highly-mismatched alloys: ZnO1-xTe x and GaN1-xSb x are discussed within the context of finding the suitable material for a cost-effective Si-based tandem solar cell (SBTSC). SBTSC is an attractive concept for breaking through the energy conversion efficiency theoretical limit of a single junction solar cell. Combining with a material of 1.8 eV band gap, SBTSC can theoretically achieve energy conversion efficiency > 45%. ZnO and GaN are wide band gap semiconductors. Alloying Te in ZnO and alloying Sb in GaN result in large band gap reduction to < 2 eV from 3.3 eV and 3.4 eV respectively. The band gap reduction is majorly achieved by the upward shift of valence band (VB). Incorporating Te in ZnO modifies the VB of ZnO through the valence-band anticrossing (VBAC) interaction between localized Te states and ZnO VB delocalized states, which forms a Te-derived VB at 1 eV above the host VB. Similar band structure modification is resulted from alloying Sb in GaN. Zn1-xTex and GaN 1-xSbx thin films are synthesized across the whole composition range by pulsed laser deposition (PLD) and low temperature molecular beam epitaxy (LT-MBE) respectively. The electronic band edges of these alloys are measured by synchrotron X-ray absorption, emission, and the X-ray photoelectron spectroscopies. Modeling the optical absorption coefficient with the band anticrossing (BAC) model revealed that the Te and Sb defect levels to be at 0.99 eV and 1.2 eV above the VB of ZnO and GaN respectively. Electrically, Zn1-xTex is readily n-type conductive and GaN1-xSbx is strongly p-type conductive. A heterojunction device of p-type GaN 0.93Sb0.07 with n-type ZnO0.77Te0.93 upper cell (band gap at 1.8 eV) on Si bottom cell is proposed as a promising SBTSC device.
Generalized thermoelastic wave band gaps in phononic crystals without energy dissipation
NASA Astrophysics Data System (ADS)
Wu, Ying; Yu, Kaiping; Li, Xiao; Zhou, Haotian
2016-01-01
We present a theoretical investigation of the thermoelastic wave propagation in the phononic crystals in the context of Green-Nagdhi theory by taking thermoelastic coupling into account. The thermal field is assumed to be steady. Thermoelastic wave band structures of 3D and 2D are derived by using the plane wave expansion method. For the 2D problem, the anti-plane shear mode is not affected by the temperature difference. Thermoelastic wave bands of the in-plane x-y mode are calculated for lead/silicone rubber, aluminium/silicone rubber, and aurum/silicone rubber phononic crystals. The new findings in the numerical results indicate that the thermoelastic wave bands are composed of the pure elastic wave bands and the thermal wave bands, and that the thermal wave bands can serve as the low boundary of the first band gap when the filling ratio is low. In addition, for the lead/silicone rubber phononic crystals the effects of lattice type (square, rectangle, regular triangle, and hexagon) and inclusion shape (circle, oval, and square) on the normalized thermoelastic bandwidth and the upper/lower gap boundaries are analysed and discussed. It is concluded that their effects on the thermoelastic wave band structure are remarkable.
NASA Astrophysics Data System (ADS)
Thiel, Charles Warren
There are a vast number of applications for rare-earth-activated materials and much of today's cutting-edge optical technology and emerging innovations are enabled by their unique properties. In many of these applications, interactions between the rare-earth ion and the host material's electronic states can enhance or inhibit performance and provide mechanisms for manipulating the optical properties. Continued advances in these technologies require knowledge of the relative energies of rare-earth and crystal band states so that properties of available materials may be fully understood and new materials may be logically developed. Conventional and resonant electron photoemission techniques were used to measure 4f electron and valence band binding energies in important optical materials, including YAG, YAlO3, and LiYF4. The photoemission spectra were theoretically modeled and analyzed to accurately determine relative energies. By combining these energies with ultraviolet spectroscopy, binding energies of excited 4fN-15d and 4fN+1 states were determined. While the 4fN ground-state energies vary considerably between different trivalent ions and lie near or below the top of the valence band in optical materials, the lowest 4f N-15d states have similar energies and are near the bottom of the conduction band. As an example for YAG, the Tb3+ 4f N ground state is in the band gap at 0.7 eV above the valence band while the Lu3+ ground state is 4.7 eV below the valence band maximum; however, the lowest 4fN-15d states are 2.2 eV below the conduction band for both ions. We found that a simple model accurately describes the binding energies of the 4fN, 4fN-1 5d, and 4fN+1 states. The model's success across the entire rare-earth series indicates that measurements on two different ions in a host are sufficient to predict the energies of all rare-earth ions in that host. This information provides new insight into electron transfer transitions, luminescence quenching, and valence
Examining the Displacement of Energy during Formation of Shear Bands
NASA Astrophysics Data System (ADS)
Hernandez, M.; Hilley, G. E.
2011-12-01
M.X. Hernandez, G. Hilley Department of Geological and Environmental Sciences, Stanford University, Stanford, CA This study has originated from an experimental (sandbox) setting that we have previously used to document the link between the kinematics and dynamics of deforming sand in the verge of frictional failure. Our initial experimental setting included a load control system that allowed us to track the changes in load, that when applied to the sand, deform and generate individual shear bands or localized faults. Over the course of earlier experiments, three cameras located at different positions outside the sandbox monitored the movement throughout the run. This current stage of analysis includes using computer programs such as QuickTime to create image sequences of the shear band formation, and Microsoft Excel to visually graph and plot each data sequence. This allows us to investigate the correlation between changes in work measured within our experiments, the construction of topography, slip along shear bands, and the creation of new shear bands. We observed that the measured load generally increased during the experiment to maintain a constant displacement rate as the sand wedge thickened and modeled topography increased. Superposed on this trend were periodic drops in load that appeared temporally coincident with the formation of shear bands in the sand. Using the time series of the loads applied during the experiment, changes in the position of the backstop over time, and the loads measured before, during, and after the time of each shear band formation, we are examining the fraction of the apples work that is absorbed by friction and shear band formation, and what fraction of the apples work is expended in increasing the potential energy of the thickening sand wedge. Our results indicate that before the formation of a continuous shear band, the rate of work done on the sand by the experimental apparatus decreases. This may suggest that once formed, work
Energy Impacts of Wide Band Gap Semiconductors in U.S. Light-Duty Electric Vehicle Fleet
DOE Office of Scientific and Technical Information (OSTI.GOV)
Warren, Joshua A.; Riddle, Matthew E.; Graziano, Diane J.
2015-08-12
Silicon carbide and gallium nitride, two leading wide band gap semiconductors with significant potential in electric vehicle power electronics, are examined from a life cycle energy perspective and compared with incumbent silicon in U.S. light-duty electric vehicle fleet. Cradle-to-gate, silicon carbide is estimated to require more than twice the energy as silicon. However, the magnitude of vehicle use phase fuel savings potential is comparatively several orders of magnitude higher than the marginal increase in cradle-to-gate energy. Gallium nitride cradle-to-gate energy requirements are estimated to be similar to silicon, with use phase savings potential similar to or exceeding that of siliconmore » carbide. Potential energy reductions in the United States vehicle fleet are examined through several scenarios that consider the market adoption potential of electric vehicles themselves, as well as the market adoption potential of wide band gap semiconductors in electric vehicles. For the 2015–2050 time frame, cumulative energy savings associated with the deployment of wide band gap semiconductors are estimated to range from 2–20 billion GJ depending on market adoption dynamics.« less
Fragile surface zero-energy flat bands in three-dimensional chiral superconductors
NASA Astrophysics Data System (ADS)
Kobayashi, Shingo; Tanaka, Yukio; Sato, Masatoshi
2015-12-01
We study surface zero-energy flat bands in three-dimensional chiral superconductors with pz(px+i py) ν -wave pairing symmetry (ν is a nonzero integer), based on topological arguments and tunneling conductance. It is shown that the surface flat bands are fragile against (i) the surface misorientation and (ii) the surface Rashba spin-orbit interaction. The fragility of (i) is specific to chiral SCs, whereas that of (ii) happens for general odd-parity SCs. We demonstrate that these flat-band instabilities vanish or suppress a zero-bias conductance peak in a normal/insulator/superconductor junction, which behavior is clearly different from high-Tc cuprates and noncentrosymmetric superconductors. By calculating the angle-resolved conductance, we also discuss a topological surface state associated with the coexistence of line and point nodes.
Energy transport in weakly nonlinear wave systems with narrow frequency band excitation.
Kartashova, Elena
2012-10-01
A novel discrete model (D model) is presented describing nonlinear wave interactions in systems with small and moderate nonlinearity under narrow frequency band excitation. It integrates in a single theoretical frame two mechanisms of energy transport between modes, namely, intermittency and energy cascade, and gives the conditions under which each regime will take place. Conditions for the formation of a cascade, cascade direction, conditions for cascade termination, etc., are given and depend strongly on the choice of excitation parameters. The energy spectra of a cascade may be computed, yielding discrete and continuous energy spectra. The model does not require statistical assumptions, as all effects are derived from the interaction of distinct modes. In the example given-surface water waves with dispersion function ω(2)=gk and small nonlinearity-the D model predicts asymmetrical growth of side-bands for Benjamin-Feir instability, while the transition from discrete to continuous energy spectrum, excitation parameters properly chosen, yields the saturated Phillips' power spectrum ~g(2)ω(-5). The D model can be applied to the experimental and theoretical study of numerous wave systems appearing in hydrodynamics, nonlinear optics, electrodynamics, plasma, convection theory, etc.
Zhang, Jiayong; Zhang, Hongwu; Ye, Hongfei; Zheng, Yonggang
2016-09-07
A free-end adaptive nudged elastic band (FEA-NEB) method is presented for finding transition states on minimum energy paths, where the energy barrier is very narrow compared to the whole paths. The previously proposed free-end nudged elastic band method may suffer from convergence problems because of the kinks arising on the elastic band if the initial elastic band is far from the minimum energy path and weak springs are adopted. We analyze the origin of the formation of kinks and present an improved free-end algorithm to avoid the convergence problem. Moreover, by coupling the improved free-end algorithm and an adaptive strategy, we develop a FEA-NEB method to accurately locate the transition state with the elastic band cut off repeatedly and the density of images near the transition state increased. Several representative numerical examples, including the dislocation nucleation in a penta-twinned nanowire, the twin boundary migration under a shear stress, and the cross-slip of screw dislocation in face-centered cubic metals, are investigated by using the FEA-NEB method. Numerical results demonstrate both the stability and efficiency of the proposed method.
Additive Manufacturing Integrated Energy Demonstration
DOE Office of Scientific and Technical Information (OSTI.GOV)
Jackson, Roderick; Lee, Brian; Love, Lonnie
2016-02-05
Meet AMIE - the Additive Manufacturing Integrated Energy demonstration project. Led by Oak Ridge National Laboratory and many industry partners, the AMIE project changes the way we think about generating, storing, and using electrical power. AMIE uses an integrated energy system that shares energy between a building and a vehicle. And, utilizing advanced manufacturing and rapid innovation, it only took one year from concept to launch.
Additive Manufacturing Integrated Energy Demonstration
Jackson, Roderick; Lee, Brian; Love, Lonnie; Mabe, Gavin; Keller, Martin; Curran, Scott; Chinthavali, Madhu; Green, Johney; Sawyer, Karma; Enquist, Phil
2018-01-16
Meet AMIE - the Additive Manufacturing Integrated Energy demonstration project. Led by Oak Ridge National Laboratory and many industry partners, the AMIE project changes the way we think about generating, storing, and using electrical power. AMIE uses an integrated energy system that shares energy between a building and a vehicle. And, utilizing advanced manufacturing and rapid innovation, it only took one year from concept to launch.
Additive Manufacturing: Unlocking the Evolution of Energy Materials
Zhakeyev, Adilet; Wang, Panfeng; Shu, Wenmiao; Wang, Huizhi
2017-01-01
Abstract The global energy infrastructure is undergoing a drastic transformation towards renewable energy, posing huge challenges on the energy materials research, development and manufacturing. Additive manufacturing has shown its promise to change the way how future energy system can be designed and delivered. It offers capability in manufacturing complex 3D structures, with near‐complete design freedom and high sustainability due to minimal use of materials and toxic chemicals. Recent literatures have reported that additive manufacturing could unlock the evolution of energy materials and chemistries with unprecedented performance in the way that could never be achieved by conventional manufacturing techniques. This comprehensive review will fill the gap in communicating on recent breakthroughs in additive manufacturing for energy material and device applications. It will underpin the discoveries on what 3D functional energy structures can be created without design constraints, which bespoke energy materials could be additively manufactured with customised solutions, and how the additively manufactured devices could be integrated into energy systems. This review will also highlight emerging and important applications in energy additive manufacturing, including fuel cells, batteries, hydrogen, solar cell as well as carbon capture and storage. PMID:29051861
Additive Manufacturing: Unlocking the Evolution of Energy Materials.
Zhakeyev, Adilet; Wang, Panfeng; Zhang, Li; Shu, Wenmiao; Wang, Huizhi; Xuan, Jin
2017-10-01
The global energy infrastructure is undergoing a drastic transformation towards renewable energy, posing huge challenges on the energy materials research, development and manufacturing. Additive manufacturing has shown its promise to change the way how future energy system can be designed and delivered. It offers capability in manufacturing complex 3D structures, with near-complete design freedom and high sustainability due to minimal use of materials and toxic chemicals. Recent literatures have reported that additive manufacturing could unlock the evolution of energy materials and chemistries with unprecedented performance in the way that could never be achieved by conventional manufacturing techniques. This comprehensive review will fill the gap in communicating on recent breakthroughs in additive manufacturing for energy material and device applications. It will underpin the discoveries on what 3D functional energy structures can be created without design constraints, which bespoke energy materials could be additively manufactured with customised solutions, and how the additively manufactured devices could be integrated into energy systems. This review will also highlight emerging and important applications in energy additive manufacturing, including fuel cells, batteries, hydrogen, solar cell as well as carbon capture and storage.
Nanoscale charge distribution and energy band modification in defect-patterned graphene.
Wang, Shengnan; Wang, Rui; Wang, Xiaowei; Zhang, Dongdong; Qiu, Xiaohui
2012-04-21
Defects were introduced precisely to exfoliated graphene (G) sheets on a SiO(2)/n(+) Si substrate to modulate the local energy band structure and the electron pathway using solution-phase oxidation followed by thermal reduction. The resulting nanoscale charge distribution and band gap modification were investigated by electrostatic force microscopy and spectroscopy. A transition phase with coexisting submicron-sized metallic and insulating regions in the moderately oxidized monolayer graphene were visualized and measured directly. It was determined that the delocalization of electrons/holes in a graphene "island" is confined by the surrounding defective C-O matrix, which acts as an energy barrier for mobile charge carriers. In contrast to the irreversible structural variations caused by the oxidation process, the electrical properties of graphene can be restored by annealing. The defect-patterned graphene and graphene oxide heterojunctions were further characterized by electrical transport measurement.
Strategic Energy Management Plan for the Santa Ynez Band of Chumash Indians
DOE Office of Scientific and Technical Information (OSTI.GOV)
Davenport, Lars; Smythe, Louisa; Sarquilla, Lindsey
2015-03-27
This plan outlines the Santa Ynez Band of Chumash Indians’ comprehensive energy management strategy including an assessment of current practices, a commitment to improving energy performance and reducing overall energy use, and recommended actions to achieve these goals. Vision Statement The primary objective of the Strategic Energy Management Plan is to implement energy efficiency, energy security, conservation, education, and renewable energy projects that align with the economic goals and cultural values of the community to improve the health and welfare of the tribe. The intended outcomes of implementing the energy plan include job creation, capacity building, and reduced energy costsmore » for tribal community members, and tribal operations. By encouraging energy independence and local power production the plan will promote self-sufficiency. Mission & Objectives The Strategic Energy Plan will provide information and suggestions to guide tribal decision-making and provide a foundation for effective management of energy resources within the Santa Ynez Band of Chumash Indians (SYBCI) community. The objectives of developing this plan include; Assess current energy demand and costs of all tribal enterprises, offices, and facilities; Provide a baseline assessment of the SYBCI’s energy resources so that future progress can be clearly and consistently measured, and current usage better understood; Project future energy demand; Establish a system for centralized, ongoing tracking and analysis of tribal energy data that is applicable across sectors, facilities, and activities; Develop a unifying vision that is consistent with the tribe’s long-term cultural, social, environmental, and economic goals; Identify and evaluate the potential of opportunities for development of long-term, cost effective energy sources, such as renewable energy, energy efficiency and conservation, and other feasible supply- and demand-side options; and Build the SYBCI’s capacity for
Zarkevich, Nikolai A.; Johnson, Duane D.
2015-01-09
The nudged-elastic band (NEB) method is modified with concomitant two climbing images (C2-NEB) to find a transition state (TS) in complex energy landscapes, such as those with a serpentine minimal energy path (MEP). If a single climbing image (C1-NEB) successfully finds the TS, then C2-NEB finds it too. Improved stability of C2-NEB makes it suitable for more complex cases, where C1-NEB misses the TS because the MEP and NEB directions near the saddle point are different. Generally, C2-NEB not only finds the TS, but guarantees, by construction, that the climbing images approach it from the opposite sides along the MEP.more » In addition, C2-NEB provides an accuracy estimate from the three images: the highest-energy one and its climbing neighbors. C2-NEB is suitable for fixed-cell NEB and the generalized solid-state NEB.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Hu, Wenjian; Scalettar, Richard T.; Huang, Edwin W.
The competition between antiferromagnetic (AF) order and singlet formation is a central phenomenon of the Kondo and periodic Anderson Hamiltonians and of the heavy fermion materials they describe. In this paper, we explore the effects of an additional conduction band on magnetism in these models, and, specifically, on changes in the AF-singlet quantum critical point (QCP) and the one particle and spin spectral functions. To understand the magnetic phase transition qualitatively, we first carry out a self-consistent mean field theory (MFT). The basic conclusion is that, at half filling, the coupling to the additional band stabilizes the AF phase tomore » larger f d hybridization V in the PAM. We also explore the possibility of competing ferromagnetic phases when this conduction band is doped away from half filling. Here, we next employ quantum Monte Carlo (QMC) which, in combination with finite size scaling, allows us to evaluate the position of the QCP using an exact treatment of the interactions. This approach confirms the stabilization of AF order, which occurs through an enhancement of the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction. QMC results for the spectral function A (q,ω) and dynamic spin structure factor χ (q,ω) yield additional insight into the AF-singlet competition and the low temperature phases.« less
Hu, Wenjian; Scalettar, Richard T.; Huang, Edwin W.; ...
2017-06-12
The competition between antiferromagnetic (AF) order and singlet formation is a central phenomenon of the Kondo and periodic Anderson Hamiltonians and of the heavy fermion materials they describe. In this paper, we explore the effects of an additional conduction band on magnetism in these models, and, specifically, on changes in the AF-singlet quantum critical point (QCP) and the one particle and spin spectral functions. To understand the magnetic phase transition qualitatively, we first carry out a self-consistent mean field theory (MFT). The basic conclusion is that, at half filling, the coupling to the additional band stabilizes the AF phase tomore » larger f d hybridization V in the PAM. We also explore the possibility of competing ferromagnetic phases when this conduction band is doped away from half filling. Here, we next employ quantum Monte Carlo (QMC) which, in combination with finite size scaling, allows us to evaluate the position of the QCP using an exact treatment of the interactions. This approach confirms the stabilization of AF order, which occurs through an enhancement of the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction. QMC results for the spectral function A (q,ω) and dynamic spin structure factor χ (q,ω) yield additional insight into the AF-singlet competition and the low temperature phases.« less
Quantitative operando visualization of the energy band depth profile in solar cells.
Chen, Qi; Mao, Lin; Li, Yaowen; Kong, Tao; Wu, Na; Ma, Changqi; Bai, Sai; Jin, Yizheng; Wu, Dan; Lu, Wei; Wang, Bing; Chen, Liwei
2015-07-13
The energy band alignment in solar cell devices is critically important because it largely governs elementary photovoltaic processes, such as the generation, separation, transport, recombination and collection of charge carriers. Despite the expenditure of considerable effort, the measurement of energy band depth profiles across multiple layers has been extremely challenging, especially for operando devices. Here we present direct visualization of the surface potential depth profile over the cross-sections of operando organic photovoltaic devices using scanning Kelvin probe microscopy. The convolution effect due to finite tip size and cantilever beam crosstalk has previously prohibited quantitative interpretation of scanning Kelvin probe microscopy-measured surface potential depth profiles. We develop a bias voltage-compensation method to address this critical problem and obtain quantitatively accurate measurements of the open-circuit voltage, built-in potential and electrode potential difference.
Zhang, Chendong; Johnson, Amber; Hsu, Chang-Lung; Li, Lain-Jong; Shih, Chih-Kang
2014-05-14
Using scanning tunneling microscopy and spectroscopy, we probe the electronic structures of single layer MoS2 on graphite. The apparent quasiparticle energy gap of single layer MoS2 is measured to be 2.15 ± 0.06 eV at 77 K, albeit a higher second conduction band threshold at 0.2 eV above the apparent conduction band minimum is also observed. Combining it with photoluminescence studies, we deduce an exciton binding energy of 0.22 ± 0.1 eV (or 0.42 eV if the second threshold is use), a value that is lower than current theoretical predictions. Consistent with theoretical predictions, we directly observe metallic edge states of single layer MoS2. In the bulk region of MoS2, the Fermi level is located at 1.8 eV above the valence band maximum, possibly due to the formation of a graphite/MoS2 heterojunction. At the edge, however, we observe an upward band bending of 0.6 eV within a short depletion length of about 5 nm, analogous to the phenomena of Fermi level pinning of a 3D semiconductor by metallic surface states.
NASA Astrophysics Data System (ADS)
Evans, D. A.; McGlynn, A. G.; Towlson, B. M.; Gunn, M.; Jones, D.; Jenkins, T. E.; Winter, R.; Poolton, N. R. J.
2008-02-01
Using synchrotron-based luminescence excitation spectroscopy in the energy range 4-20 eV at 8 K, the indirect Γ-X optical band-gap transition in cubic boron nitride is determined as 6.36 ± 0.03 eV, and the quasi-direct band-gap energy of hexagonal boron nitride is determined as 5.96 ± 0.04 eV. The composition and structure of the materials are self-consistently established by optically detected x-ray absorption spectroscopy, and both x-ray diffraction and Raman measurements on the same samples give independent confirmation of their chemical and structural purity: together, the results are therefore considered as providing definitive measurements of the optical band-gap energies of the two materials.
Band-engineering of TiO2 as a wide-band gap semiconductor using organic chromophore dyes
NASA Astrophysics Data System (ADS)
Wahyuningsih, S.; Kartini, I.; Ramelan, A. H.; Saputri, L. N. M. Z.; Munawaroh, H.
2017-07-01
Bond-engineering as applied to semiconductor materials refers to the manipulation of the energy bands in order to control charge transfer processes in a device. When the device in question is a photoelectrochemical cell, the charges affected by drift become the focus of the study. The ideal band gap of semiconductors for enhancement of photocatalyst activity can be lowered to match with visible light absorption and the location of conduction Band (CB) should be raised to meet the reducing capacity. Otherwise, by the addition of the chromofor organic dyes, the wide-band gab can be influences by interacation resulting between TiO2 surface and the dyes. We have done the impruvisation wide-band gap of TiO2 by the addition of organic chromophore dye, and the addition of transition metal dopand. The TiO2 morphology influence the light absorption as well as the surface modification. The organic chromophore dye was syntesized by formation complexes compound of Co(PAR)(SiPA)(PAR)= 4-(2-piridylazoresorcinol), SiPA = Silyl propil amine). The result showed that the chromophore groups adsorbed onto TiO2 surface can increase the visible light absorption of wide-band gab semiconductor. Initial absorption of a chromophore will affect light penetration into the material surfaces. The use of photonic material as a solar cell shows this phenomenon clearly from the IPCE (incident photon to current conversion efficiency) measurement data. Organic chromophore dyes of Co(PAR)(SiPA) exhibited the long wavelength absorption character compared to the N719 dye (from Dyesol).
Simple vertex correction improves G W band energies of bulk and two-dimensional crystals
NASA Astrophysics Data System (ADS)
Schmidt, Per S.; Patrick, Christopher E.; Thygesen, Kristian S.
2017-11-01
The G W self-energy method has long been recognized as the gold standard for quasiparticle (QP) calculations of solids in spite of the fact that the neglect of vertex corrections and the use of a density-functional theory starting point lack rigorous justification. In this work we remedy this situation by including a simple vertex correction that is consistent with a local-density approximation starting point. We analyze the effect of the self-energy by splitting it into short-range and long-range terms which are shown to govern, respectively, the center and size of the band gap. The vertex mainly improves the short-range correlations and therefore has a small effect on the band gap, while it shifts the band gap center up in energy by around 0.5 eV, in good agreement with experiments. Our analysis also explains how the relative importance of short- and long-range interactions in structures of different dimensionality is reflected in their QP energies. Inclusion of the vertex comes at practically no extra computational cost and even improves the basis set convergence compared to G W . Taken together, the method provides an efficient and rigorous improvement over the G W approximation.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Lee, Kiwoo; Natsui, Takuya; Hirai, Shunsuke
2011-06-01
One of the advantages of applying X-band linear accelerator (Linac) is the compact size of the whole system. That shows us the possibility of on-site system such as the custom inspection system in an airport. As X-ray source, we have developed X-band Linac and achieved maximum X-ray energy 950 keV using the low power magnetron (250 kW) in 2 {mu}s pulse length. The whole size of the Linac system is 1x1x1 m{sup 3}. That is realized by introducing X-band system. In addition, we have designed two-fold scintillator detector in dual energy X-ray concept. Monte carlo N-particle transport (MCNP) code wasmore » used to make up sensor part of the design with two scintillators, CsI and CdWO4. The custom inspection system is composed of two equipments: 950 keV X-band Linac and two-fold scintillator and they are operated simulating real situation such as baggage check in an airport. We will show you the results of experiment which was performed with metal samples: iron and lead as targets in several conditions.« less
Quantitative operando visualization of the energy band depth profile in solar cells
Chen, Qi; Mao, Lin; Li, Yaowen; Kong, Tao; Wu, Na; Ma, Changqi; Bai, Sai; Jin, Yizheng; Wu, Dan; Lu, Wei; Wang, Bing; Chen, Liwei
2015-01-01
The energy band alignment in solar cell devices is critically important because it largely governs elementary photovoltaic processes, such as the generation, separation, transport, recombination and collection of charge carriers. Despite the expenditure of considerable effort, the measurement of energy band depth profiles across multiple layers has been extremely challenging, especially for operando devices. Here we present direct visualization of the surface potential depth profile over the cross-sections of operando organic photovoltaic devices using scanning Kelvin probe microscopy. The convolution effect due to finite tip size and cantilever beam crosstalk has previously prohibited quantitative interpretation of scanning Kelvin probe microscopy-measured surface potential depth profiles. We develop a bias voltage-compensation method to address this critical problem and obtain quantitatively accurate measurements of the open-circuit voltage, built-in potential and electrode potential difference. PMID:26166580
Partially filled intermediate band of Cr-doped GaN films
DOE Office of Scientific and Technical Information (OSTI.GOV)
Sonoda, S.
2012-05-14
We investigated the band structure of sputtered Cr-doped GaN (GaCrN) films using optical absorption, photoelectron yield spectroscopy, and charge transport measurements. It was found that an additional energy band is formed in the intrinsic band gap of GaN upon Cr doping, and that charge carriers in the material move in the inserted band. Prototype solar cells showed enhanced short circuit current and open circuit voltage in the n-GaN/GaCrN/p-GaN structure compared to the GaCrN/p-GaN structure, which validates the proposed concept of an intermediate-band solar cell.
NASA Astrophysics Data System (ADS)
Gao, Weiwei; Gao, Xiang; Abtew, Tesfaye A.; Sun, Yi-Yang; Zhang, Shengbai; Zhang, Peihong
2016-02-01
The quasiparticle band gap is one of the most important materials properties for photovoltaic applications. Often the band gap of a photovoltaic material is determined (and can be controlled) by various factors, complicating predictive materials optimization. An in-depth understanding of how these factors affect the size of the gap will provide valuable guidance for new materials discovery. Here we report a comprehensive investigation on the band gap formation mechanism in organic-inorganic hybrid perovskites by decoupling various contributing factors which ultimately determine their electronic structure and quasiparticle band gap. Major factors, namely, quasiparticle self-energy, spin-orbit coupling, and structural distortions due to the presence of organic molecules, and their influences on the quasiparticle band structure of organic-inorganic hybrid perovskites are illustrated. We find that although methylammonium cations do not contribute directly to the electronic states near band edges, they play an important role in defining the band gap by introducing structural distortions and controlling the overall lattice constants. The spin-orbit coupling effects drastically reduce the electron and hole effective masses in these systems, which is beneficial for high carrier mobilities and small exciton binding energies.
Conductance modulation in Weyl semimetals with tilted energy dispersion without a band gap
NASA Astrophysics Data System (ADS)
Yesilyurt, Can; Siu, Zhuo Bin; Tan, Seng Ghee; Liang, Gengchiau; Jalil, Mansoor B. A.
2017-06-01
We investigate the tunneling conductance of Weyl semimetal with tilted energy dispersion by considering electron transmission through a p-n-p junction with one-dimensional electric and magnetic barriers. In the presence of both electric and magnetic barriers, we found that a large conductance gap can be produced with the aid of tilted energy dispersion without a band gap. The origin of this effect is the shift of the electron wave-vector at barrier boundaries caused by (i) the pseudo-magnetic field induced by electrical potential, i.e., a newly discovered feature that is only possible in the materials possessing tilted energy dispersion, (ii) the real magnetic field induced by a ferromagnetic layer deposited on the top of the system. We use a realistic barrier structure applicable in current nanotechnology and analyze the temperature dependence of the tunneling conductance. The new approach presented here may resolve a major problem of possible transistor applications in topological semimetals, i.e., the absence of normal backscattering and gapless band structure.
NASA Astrophysics Data System (ADS)
Gladen, R. W.; Joglekar, P. V.; Lim, Z. H.; Shastry, K.; Hulbert, S. L.; Weiss, A. H.
A set of coincidence measurements were obtained for the study and measurement of the electron contribution arising from the inter-valence band (VB) transitions along with the inelastically scattered VB electron contribution. These Auger-unrelated contributions arise in the Auger spectrum (Ag 4p NVV) obtained using Auger Photoelectron Coincidence Spectroscopy (APECS). The measured Auger-unrelated contribution can be eliminated from Auger spectrum to obtain the spectrum related to Auger. In our VB-VB coincidence measurement, a photon beam of energy 180eV was used to probe the Ag(100) sample. The coincidence spectrum was obtained using two Cylindrical Mirror Analyzers (CMA's). The scan CMA measured the low energy electron contribution in the energy range 0-70eV in coincidence with VB electrons measured by the fixed CMA. In this talk, we present the data obtained for VB-VB coincidence at the valence band energy of 171eV along with the coincidence measurements in the energy range of 4p core and valence band. NSF DMR 0907679, NSF Award Number: 1213727. Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the U.S. DOE, Office of Science, Office of Basic Energy Sciences, under Contract No. DEAC02-98CH10886.
NASA Astrophysics Data System (ADS)
Joglekar, P. V.; Gladen, R.; Lim, Z. H.; Shastry, K.; Hulbert, S. L.; Weiss, A. H.
2015-03-01
A set of coincidence measurements were obtained for the study and measurement of the electron contribution arising from the inter-valence band (VB) transitions along with the inelastically scattered VB electron contribution. These Auger-unrelated contributions arise in the Auger spectrum (Ag 4p NVV) obtained using Auger Photoelectron Coincidence Spectroscopy (APECS). The measured Auger-unrelated contribution can be eliminated from Auger spectrum to obtain the spectrum related to Auger. In our VB-VB coincidence measurement, a photon beam of energy 180eV was used to probe the Ag(100) sample. The coincidence spectrum was obtained using two Cylindrical Mirror Analyzers (CMA's). The scan CMA measured the low energy electron contribution in the energy range 0-70eV in coincidence with VB electrons measured by the fixed CMA. In this talk, we present the data obtained for VB-VB coincidence at the valence band energy of 171eV along with the coincidence measurements in the energy range of 4p core and valence band. NSF DMR 0907679, NSF Award Number: 1213727. Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the U.S. DOE, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886.
NASA Astrophysics Data System (ADS)
Mayer, Marie Annette
New technologies motivate the development of new semiconducting materials, for which structural, electrical and chemical properties are not well understood. In addition to new materials systems, there are huge opportunities for new applications, especially in solar energy conversion. In this dissertation I explore the role of band structure engineering of semiconducting oxides for solar energy. Due to the abundance and electrochemical stability of oxides, the appropriate modification could make them appealing for applications in both photovoltaics and photoelectrochemical hydrogen production. This dissertation describes the design, synthesis and evaluation of the alloy ZnO1-xSe x for these purposes. I review several methods of band structure engineering including strain, quantum confinement and alloying. A detailed description of the band anticrossing (BAC) model for highly mismatched alloys is provided, including the derivation of the BAC model as well as recent work and potential applications. Thin film ZnOxSe1-x samples are grown by pulsed laser deposition (PLD). I describe in detail the effect of growth conditions (temperature, pressure and laser fluence) on the chemistry, structure and optoelectronic properties of ZnOxSe1-x. The films are grown using different combinations of PLD conditions and characterized with a variety of techniques. Phase pure films with low roughness and high crystallinity were obtained at temperatures below 450¢ªC, pressures less than 10-4 Torr and laser fluences on the order of 1.5 J/cm 2. Electrical conduction was still observed despite heavy concentrations of grain boundaries. The band structure of ZnO1-xSex is then examined in detail. The bulk electron affinity of a ZnO thin film was measured to be 4.5 eV by pinning the Fermi level with native defects. This is explained in the framework of the amphoteric defect model. A shift in the ZnO1-xSe x valence band edge with x is observed using synchrotron x-ray absorption and emission
Plasmon enhanced heterogeneous electron transfer with continuous band energy model
NASA Astrophysics Data System (ADS)
Zhao, Dandan; Niu, Lu; Wang, Luxia
2017-08-01
Photoinduced charge injection from a perylene dye molecule into the conduction band of a TiO2 system decorated by a metal nanoparticles (MNP) is studied theoretically. Utilizing the density matrix theory the charge transfer dynamics is analyzed. The continuous behavior of the TiO2 conduction band is accounted for by a Legendre polynomials expansion. The simulations consider optical excitation of the dye molecule coupled to the MNP and the subsequent electron injection into the TiO2 semiconductor. Due to the energy transfer coupling between the molecule and the MNP optical excitation and subsequent charge injection into semiconductor is strongly enhanced. The respective enhancement factor can reach values larger than 103. Effects of pulse duration, coupling strength and energetic resonances are also analyzed. The whole approach offers an efficient way to increase charge injection in dye-sensitized solar cells.
NASA Astrophysics Data System (ADS)
Fukuda, Masahiro; Watanabe, Kazuhiro; Sakashita, Mitsuo; Kurosawa, Masashi; Nakatsuka, Osamu; Zaima, Shigeaki
2017-10-01
The energy band alignment of Ge1-xSnx/Ge1-x-ySixSny heterostructures was investigated, and control of the valence band offset at the Ge1-xSnx/Ge1-x-ySixSny heterointerface was achieved by controlling the Si and Sn contents in the Ge1-x-ySixSny layer. The valence band offset in the Ge0.902Sn0.098/Ge0.41Si0.50Sn0.09 heterostructure was evaluated to be as high as 330 meV, and its conduction band offset was estimated to be 150 meV by considering the energy bandgap calculated from the theoretical prediction. In addition, the formation of the strain-relaxed Ge1-x-ySixSny layer was examined and the crystalline structure was characterized. The epitaxial growth of a strain-relaxed Ge0.64Si0.21Sn0.15 layer with the degree of strain relaxation of 55% was examined using a virtual Ge substrate. Moreover, enhancement of the strain relaxation was demonstrated by post-deposition annealing, where a degree of strain relaxation of 70% was achieved after annealing at 400 °C. These results indicate the possibility for enhancing the indirect-direct crossover with a strained and high-Sn-content Ge1-xSnx layer on a strain-relaxed Ge1-x-ySixSny layer, realizing preferable carrier confinement by type-I energy band alignment with high conduction and valence band offsets.
Shen, Xiaochen; Pan, Yanbo; Liu, Bin; Yang, Jinlong; Zeng, Jie; Peng, Zhenmeng
2017-05-24
The reaction mechanism and properties of a catalytic process are primarily determined by the interactions between reacting species and catalysts. However, the interactions are often challenging to be experimentally measured, especially for unstable intermediates. Therefore, it is of significant importance to establish an exact relationship between chemical-catalyst interactions and catalyst parameters, which will allow calculation of these interactions and thus advance their mechanistic understanding. Herein we report the description of adsorption energy on transition metals by considering both ionic bonding and covalent bonding contributions and introduce the work function as one additional responsible parameter. We find that the adsorption energy can be more accurately described using a two-dimensional (2D) polynomial model, which shows a significant improvement compared with the current adsorption energy-d-band center linear correlation. We also demonstrate the utilization of this new 2D polynomial model to calculate oxygen binding energy of different transition metals to help understand their catalytic properties in oxygen reduction reactions.
Band-edges and band-gap in few-layered transition metal dichalcogenides
NASA Astrophysics Data System (ADS)
Bhunia, Hrishikesh; Pal, Amlan J.
2018-05-01
We have considered liquid-exfoliated transition metal dichalcogenides (WS2, WSe2, MoS2, and MoSe2) and studied their band-edges and band-gap through scanning tunneling spectroscopy (STS) and density of states. A monolayer, bilayer (2L), and trilayer (3L) of each of the layered materials were characterized to derive the energies. Upon an increase in the number of layers, both the band-edges were found to shift towards the Fermi energy. The results from the exfoliated nanosheets have been compared with reported STS studies of MoS2 and WSe2 formed through chemical vapor deposition or molecular beam epitaxy methods; an uncontrolled lattice strain existed in such 2L and 3L nanoflakes due to mismatch in stacking-patterns between the monolayers affecting their energies. In the present work, the layers formed through the liquid-exfoliation process retained their interlayer coupling or stacking-sequence prevalent to the bulk and hence allowed determination of band-energies in these strain-free two-dimensional materials.
Quantum Transport and Non-Hermiticity on Flat-Band Lattices
NASA Astrophysics Data System (ADS)
Park, Hee Chul; Ryu, Jung-Wan; Myoung, Nojoon
2018-04-01
We investigate quantum transport in a flat-band lattice induced in a twisted cross-stitch lattice with Hermitian or non-Hermitian potentials, with a combination of parity and time-reversal symmetry invariant. In the given system, the transmission probability demonstrates a resonant behavior on the real part of the energy bands. Both of the potentials break the parity symmetry, which lifts the degeneracy of the flat and dispersive bands. In addition, non-Hermiticity conserving PT-symmetry induces a transition between the unbroken and broken PT-symmetric phases through exceptional points in momentum space. Characteristics of non-Hermitian and Hermitian bandgaps are distinguishable: The non-Hermitian bandgap is induced by separation toward complex energy, while the Hermitian bandgap is caused by the expelling of available states into real energy. Deviation of the two bandgaps follows as a function of the quartic power of the induced potential. It is notable that non-Hermiticity plays an important role in the mechanism of generating a bandgap distinguishable from a Hermitian bandgap.
Choi, Jun Young; Heo, Keun; Cho, Kyung-Sang; Hwang, Sung Woo; Kim, Sangsig; Lee, Sang Yeol
2016-11-04
We investigated the band gap of SiZnSnO (SZTO) with different Si contents. Band gap engineering of SZTO is explained by the evolution of the electronic structure, such as changes in the band edge states and band gap. Using ultraviolet photoelectron spectroscopy (UPS), it was verified that Si atoms can modify the band gap of SZTO thin films. Carrier generation originating from oxygen vacancies can modify the band-gap states of oxide films with the addition of Si. Since it is not easy to directly derive changes in the band gap states of amorphous oxide semiconductors, no reports of the relationship between the Fermi energy level of oxide semiconductor and the device stability of oxide thin film transistors (TFTs) have been presented. The addition of Si can reduce the total density of trap states and change the band-gap properties. When 0.5 wt% Si was used to fabricate SZTO TFTs, they showed superior stability under negative bias temperature stress. We derived the band gap and Fermi energy level directly using data from UPS, Kelvin probe, and high-resolution electron energy loss spectroscopy analyses.
Choi, Jun Young; Heo, Keun; Cho, Kyung-Sang; Hwang, Sung Woo; Kim, Sangsig; Lee, Sang Yeol
2016-01-01
We investigated the band gap of SiZnSnO (SZTO) with different Si contents. Band gap engineering of SZTO is explained by the evolution of the electronic structure, such as changes in the band edge states and band gap. Using ultraviolet photoelectron spectroscopy (UPS), it was verified that Si atoms can modify the band gap of SZTO thin films. Carrier generation originating from oxygen vacancies can modify the band-gap states of oxide films with the addition of Si. Since it is not easy to directly derive changes in the band gap states of amorphous oxide semiconductors, no reports of the relationship between the Fermi energy level of oxide semiconductor and the device stability of oxide thin film transistors (TFTs) have been presented. The addition of Si can reduce the total density of trap states and change the band-gap properties. When 0.5 wt% Si was used to fabricate SZTO TFTs, they showed superior stability under negative bias temperature stress. We derived the band gap and Fermi energy level directly using data from UPS, Kelvin probe, and high-resolution electron energy loss spectroscopy analyses. PMID:27812035
NASA Astrophysics Data System (ADS)
Yamamoto, Taishi; Taoka, Noriyuki; Ohta, Akio; Truyen, Nguyen Xuan; Yamada, Hisashi; Takahashi, Tokio; Ikeda, Mitsuhisa; Makihara, Katsunori; Nakatsuka, Osamu; Shimizu, Mitsuaki; Miyazaki, Seiichi
2018-06-01
The energy band structure of a Ga-oxide/GaN structure formed by remote oxygen plasma exposure and the electrical interface properties of the GaN metal–oxide–semiconductor (MOS) capacitors with the SiO2/Ga-oxide/GaN structures with postdeposition annealing (PDA) at various temperatures have been investigated. Reflection high-energy electron diffraction and X-ray photoelectron spectroscopy clarified that the formed Ga-oxide layer is neither a single nor polycrystalline phase with high crystallinity. We found that the energy band offsets at the conduction band minimum and at the valence band maximum between the Ga-oxide layer and the GaN surface were 0.4 and 1.2 ± 0.2 eV, respectively. Furthermore, capacitance–voltage (C–V) characteristics revealed that the interface trap density (D it) is lower than the evaluation limit of Terman method without depending on the PDA temperatures, and that the SiO2/Ga-oxide stack can work as a protection layer to maintain the low D it, avoiding the significant decomposition of GaN at the high PDA temperature of 800 °C.
NASA Astrophysics Data System (ADS)
Cui, Ning; Liang, Renrong; Wang, Jing; Xu, Jun
2012-06-01
Choosing novel materials and structures is important for enhancing the on-state current in tunnel field-effect transistors (TFETs). In this paper, we reveal that the on-state performance of TFETs is mainly determined by the energy band profile of the channel. According to this interpretation, we present a new concept of energy band profile modulation (BPM) achieved with gate structure engineering. It is believed that this approach can be used to suppress the ambipolar effect. Based on this method, a Si TFET device with a symmetrical tri-material-gate (TMG) structure is proposed. Two-dimensional numerical simulations demonstrated that the special band profile in this device can boost on-state performance, and it also suppresses the off-state current induced by the ambipolar effect. These unique advantages are maintained over a wide range of gate lengths and supply voltages. The BPM concept can serve as a guideline for improving the performance of nanoscale TFET devices.
Mars Global Surveyor Ka-Band Frequency Data Analysis
NASA Astrophysics Data System (ADS)
Morabito, D.; Butman, S.; Shambayati, S.
2000-01-01
for the feed and electronics equipment. A dichroic plate is used to reflect the X-band energy and pass the Ka-band energy to another mirror. The RF energy for each band is then focused onto a feed horn and low-noise amplifier package. After amplification and RF/IF downconversion, the IF signals are sent to the Experimental Tone Tracker (ETT), a digital phase-lock-loop receiver, which simultaneously tracks both X-band and Ka-band carrier signals. Once a signal is detected, the ETT outputs estimates of the SNR in a I -Hz bandwidth (Pc/No), baseband phase and frequency of the signals every I -sec. Between December 1996 and December 1998, the Ka-band and X-band signals from MGS were tracked on a regular basis using the ETT. The Ka-band downlink frequencies described here were referenced to the spacecraft's on-board USO which was also the X-band frequency reference (fka= 3.8 fx). The ETT estimates of baseband phase at I -second sampled time tags were converted to sky frequency estimates. Frequency residuals were then generated for each band by removing a model frequency from each observable frequency at each time tag. The model included Doppler and other effects derived from spacecraft trajectory files obtained from the MGS Navigation Team. A simple troposphere correction was applied to the data. In addition to residuals, the USO frequencies emitted by the spacecraft were estimated. For several passes, the USO frequencies were determined from X-band data and from Ka-band data (referred to X-band by dividing by 3.8) and were found to be in good agreement. In addition, X-band USO frequency estimates from MGS Radio Science data acquired from operational DSN stations were available for comparison and were found to agree within the I Hz level. The remaining sub-Hertz differences were attributed to the different models and software algorithms used by MGS Radio Science and KaBLE-11. A summary of the results of a linear fit of the USO frequency versus time (day of year) is
Aghdassi, Nabi; Wang, Qi; Ji, Ru-Ru; Wang, Bin; Fan, Jian; Duhm, Steffen
2018-05-11
7,8,15,16-tetraazaterrylene (TAT) thin films grown on highly oriented pyrolytic graphite (HOPG) substrates were studied extensively with regard to their intrinsic and interfacial electronic properties by means of ultraviolet photoelectron spectroscopy (UPS). Merely weak substrate-adsorbate interaction occurs at the TAT/HOPG interface, with interface energetics being only little affected by the nominal film thickness. Photon energy-dependent UPS performed perpendicular to the molecular planes of TAT multilayer films at room temperature clearly reveals band-like intermolecular dispersion of the TAT highest occupied molecular orbital (HOMO) energy. Based on a comparison with a tight-binding model, a relatively narrow bandwidth of 54 meV is derived, which points to the presence of an intermediate regime between hopping and band-like hole transport. Upon additional deposition of 2,2':5',2″:5″,2″'-quaterthiophene (4T), a 4T:TAT donor-acceptor bulk heterojunction with a considerable HOMO-level offset at the donor-acceptor interface is formed. The 4T:TAT bulk heterojunction likewise exhibits intermolecular dispersion of the TAT HOMO energy, yet with a significant decreased bandwidth.
Combined analysis of energy band diagram and equivalent circuit on nanocrystal solid
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kano, Shinya, E-mail: kano@eedept.kobe-u.ac.jp, E-mail: fujii@eedept.kobe-u.ac.jp; Sasaki, Masato; Fujii, Minoru, E-mail: kano@eedept.kobe-u.ac.jp, E-mail: fujii@eedept.kobe-u.ac.jp
We investigate a combined analysis of an energy band diagram and an equivalent circuit on nanocrystal (NC) solids. We prepared a flat silicon-NC solid in order to carry out the analysis. An energy band diagram of a NC solid is determined from DC transport properties. Current-voltage characteristics, photocurrent measurements, and conductive atomic force microscopy images indicate that a tunneling transport through a NC solid is dominant. Impedance spectroscopy gives an equivalent circuit: a series of parallel resistor-capacitors corresponding to NC/metal and NC/NC interfaces. The equivalent circuit also provides an evidence that the NC/NC interface mainly dominates the carrier transport throughmore » NC solids. Tunneling barriers inside a NC solid can be taken into account in a combined capacitance. Evaluated circuit parameters coincide with simple geometrical models of capacitances. As a result, impedance spectroscopy is also a useful technique to analyze semiconductor NC solids as well as usual DC transport. The analyses provide indispensable information to implement NC solids into actual electronic devices.« less
A novel approach for characterizing broad-band radio spectral energy distributions
NASA Astrophysics Data System (ADS)
Harvey, V. M.; Franzen, T.; Morgan, J.; Seymour, N.
2018-05-01
We present a new broad-band radio frequency catalogue across 0.12 GHz ≤ ν ≤ 20 GHz created by combining data from the Murchison Widefield Array Commissioning Survey, the Australia Telescope 20 GHz survey, and the literature. Our catalogue consists of 1285 sources limited by S20 GHz > 40 mJy at 5σ, and contains flux density measurements (or estimates) and uncertainties at 0.074, 0.080, 0.119, 0.150, 0.180, 0.408, 0.843, 1.4, 4.8, 8.6, and 20 GHz. We fit a second-order polynomial in log-log space to the spectral energy distributions of all these sources in order to characterize their broad-band emission. For the 994 sources that are well described by a linear or quadratic model we present a new diagnostic plot arranging sources by the linear and curvature terms. We demonstrate the advantages of such a plot over the traditional radio colour-colour diagram. We also present astrophysical descriptions of the sources found in each segment of this new parameter space and discuss the utility of these plots in the upcoming era of large area, deep, broad-band radio surveys.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Lentz, Levi C.; Kolb, Brian; Kolpak, Alexie M.
Layered transition metal phosphates and phosphites (TMPs) are a class of 2D materials bound togetherviavan der Waals interactions. Through simple functionalization, band energies can be systematically controlled.
Sugimura, Natsuhiko; Igarashi, Yoko; Aoyama, Reiko; Shibue, Toshimichi
2017-02-01
Analysis of the fragmentation pathways of molecules in mass spectrometry gives a fundamental insight into gas-phase ion chemistry. However, the conventional intrinsic reaction coordinates method requires knowledge of the transition states of ion structures in the fragmentation pathways. Herein, we use the nudged elastic band method, using only the initial and final state ion structures in the fragmentation pathways, and report the advantages and limitations of the method. We found a minimum energy path of p-benzoquinone ion fragmentation with two saddle points and one intermediate structure. The primary energy barrier, which corresponded to the cleavage of the C-C bond adjacent to the CO group, was calculated to be 1.50 eV. An additional energy barrier, which corresponded to the cleavage of the CO group, was calculated to be 0.68 eV. We also found an energy barrier of 3.00 eV, which was the rate determining step of the keto-enol tautomerization in CO elimination from the molecular ion of phenol. The nudged elastic band method allowed the determination of a minimum energy path using only the initial and final state ion structures in the fragmentation pathways, and it provided faster than the conventional intrinsic reaction coordinates method. In addition, this method was found to be effective in the analysis of the charge structures of the molecules during the fragmentation in mass spectrometry.
Augustine Band of Cahuilla Indians Energy Conservation and Options Analysis - Final Report
DOE Office of Scientific and Technical Information (OSTI.GOV)
Paul Turner
2008-07-11
The Augustine Band of Cahuilla Indians was awarded a grant through the Department of Energy First Steps program in June of 2006. The primary purpose of the grant was to enable the Tribe to develop energy conservation policies and a strategy for alternative energy resource development. All of the work contemplated by the grant agreement has been completed and the Tribe has begun implementing the resource development strategy through the construction of a 1.0 MW grid-connected photovoltaic system designed to offset a portion of the energy demand generated by current and projected land uses on the Tribe’s Reservation. Implementation ofmore » proposed energy conservation policies will proceed more deliberately as the Tribe acquires economic development experience sufficient to evaluate more systematically the interrelationships between conservation and its economic development goals.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Pérez, E.; Dueñas, S.; Castán, H.
2015-12-28
The energy levels created in supersaturated n-type silicon substrates with titanium implantation in the attempt to create an intermediate band in their band-gap are studied in detail. Two titanium ion implantation doses (10{sup 13 }cm{sup -2} and 10{sup 14 }cm{sup -2}) are studied in this work by conductance transient technique and admittance spectroscopy. Conductance transients have been measured at temperatures of around 100 K. The particular shape of these transients is due to the formation of energy barriers in the conduction band, as a consequence of the band-gap narrowing induced by the high titanium concentration. Moreover, stationary admittance spectroscopy results suggest the existencemore » of different energy level configuration, depending on the local titanium concentration. A continuum energy level band is formed when titanium concentration is over the Mott limit. On the other hand, when titanium concentration is lower than the Mott limit, but much higher than the donor impurity density, a quasi-continuum energy level distribution appears. Finally, a single deep center appears for low titanium concentration. At the n-type substrate, the experimental results obtained by means of thermal admittance spectroscopy at high reverse bias reveal the presence of single levels located at around E{sub c}-425 and E{sub c}-275 meV for implantation doses of 10{sup 13 }cm{sup −2} and 10{sup 14 }cm{sup −2}, respectively. At low reverse bias voltage, quasi-continuously distributed energy levels between the minimum of the conduction bands, E{sub c} and E{sub c}-450 meV, are obtained for both doses. Conductance transients detected at low temperatures reveal that the high impurity concentration induces a band gap narrowing which leads to the formation of a barrier in the conduction band. Besides, the relationship between the activation energy and the capture cross section values of all the energy levels fits very well to the Meyer-Neldel rule. As it is
Effect of Γ-X band mixing on the donor binding energy in a Quantum Wire
NASA Astrophysics Data System (ADS)
Vijaya Shanthi, R.; Jayakumar, K.; Nithiananthi, P.
2015-02-01
To invoke the technological applications of heterostructure semiconductors like Quantum Well (QW), Quantum Well Wire (QWW) and Quantum Dot (QD), it is important to understand the property of impurity energy which is responsible for the peculiar electronic & optical behavior of the Low Dimensional Semiconductor Systems (LDSS). Application of hydrostatic pressure P>35kbar drastically alters the band offsets leading to the crossover of Γ band of the well & X band of the barrier resulting in an indirect transition of the carrier and this effect has been studied experimentally and theoretically in a QW structure. In this paper, we have investigated the effect of Γ-X band mixing due to the application of hydrostatic pressure in a GaAs/AlxGa1-xAs QWW system. The results are presented and discussed for various widths of the wire.
Band gap and electronic structure of MgSiN2
NASA Astrophysics Data System (ADS)
Quirk, J. B.; Râsander, M.; McGilvery, C. M.; Palgrave, R.; Moram, M. A.
2014-09-01
Density functional theory calculations and electron energy loss spectroscopy indicate that the electronic structure of ordered orthorhombic MgSiN2 is similar to that of wurtzite AlN. A band gap of 5.7 eV was calculated for both MgSiN2 (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 MgSiN2 is 6.2 eV. MgSiN2 has an additional direct gap of 6.3 eV at the Γ point.
Band head spin assignment of superdeformed bands in 133Pr using two-parameter formulae
NASA Astrophysics Data System (ADS)
Sharma, Honey; Mittal, H. M.
2018-03-01
The two-parameter formulae viz. the power index formula, the nuclear softness formula and the VMI model are adopted to accredit the band head spin (I0) of four superdeformed rotational bands in 133Pr. The technique of least square fitting is used to accredit the band head spin for four superdeformed rotational bands in 133Pr. The root mean deviation among the computed transition energies and well-known experimental transition energies are attained by extracting the model parameters from the two-parameter formulae. The determined transition energies are in excellent agreement with the experimental transition energies, whenever exact spins are accredited. The power index formula coincides well with the experimental data and provides minimum root mean deviation. So, the power index formula is more efficient tool than the nuclear softness formula and the VMI model. The deviation of dynamic moment of inertia J(2) against the rotational frequency is also examined.
NASA Technical Reports Server (NTRS)
Wintucky, Edwin G.; Simons, Rainee N.
2015-01-01
This paper presents the design, fabrication and test results for a novel waveguide multimode directional coupler (MDC). The coupler, fabricated from two dissimilar frequency band waveguides, is capable of isolating power at the second harmonic frequency from the fundamental power at the output port of a traveling-wave tube (TWT) amplifier. Test results from proof-of-concept demonstrations are presented for a Ku-band/Ka-band MDC and a Ka-band/E-band MDC. In addition to power measurements at harmonic frequencies, a potential application of the MDC is in the design of a satellite borne beacon source for atmospheric propagation studies at millimeter-wave (mm-wave) frequencies (Ka-band and E-band).
Relating the defect band gap and the density functional band gap
NASA Astrophysics Data System (ADS)
Schultz, Peter; Edwards, Arthur
2014-03-01
Density functional theory (DFT) is an important tool to probe the physics of materials. The Kohn-Sham (KS) gap in DFT is typically (much) smaller than the observed band gap for materials in nature, the infamous ``band gap problem.'' Accurate prediction of defect energy levels is often claimed to be a casualty--the band gap defines the energy scale for defect levels. By applying rigorous control of boundary conditions in size-converged supercell calculations, however, we compute defect levels in Si and GaAs with accuracies of ~0.1 eV, across the full gap, unhampered by a band gap problem. Using GaAs as a theoretical laboratory, we show that the defect band gap--the span of computed defect levels--is insensitive to variations in the KS gap (with functional and pseudopotential), these KS gaps ranging from 0.1 to 1.1 eV. The defect gap matches the experimental 1.52 eV gap. The computed defect gaps for several other III-V, II-VI, I-VII, and other compounds also agree with the experimental gap, and show no correlation with the KS gap. Where, then, is the band gap problem? This talk presents these results, discusses why the defect gap and the KS gap are distinct, implying that current understanding of what the ``band gap problem'' means--and how to ``fix'' it--need to be rethought. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. Department of Energy's NNSA under contract DE-AC04-94AL85000.
Topological Band Theory for Non-Hermitian Hamiltonians
NASA Astrophysics Data System (ADS)
Shen, Huitao; Zhen, Bo; Fu, Liang
2018-04-01
We develop the topological band theory for systems described by non-Hermitian Hamiltonians, whose energy spectra are generally complex. After generalizing the notion of gapped band structures to the non-Hermitian case, we classify "gapped" bands in one and two dimensions by explicitly finding their topological invariants. We find nontrivial generalizations of the Chern number in two dimensions, and a new classification in one dimension, whose topology is determined by the energy dispersion rather than the energy eigenstates. We then study the bulk-edge correspondence and the topological phase transition in two dimensions. Different from the Hermitian case, the transition generically involves an extended intermediate phase with complex-energy band degeneracies at isolated "exceptional points" in momentum space. We also systematically classify all types of band degeneracies.
Optical model with multiple band couplings using soft rotator structure
NASA Astrophysics Data System (ADS)
Martyanov, Dmitry; Soukhovitskii, Efrem; Capote, Roberto; Quesada, Jose Manuel; Chiba, Satoshi
2017-09-01
A new dispersive coupled-channel optical model (DCCOM) is derived that describes nucleon scattering on 238U and 232Th targets using a soft-rotator-model (SRM) description of the collective levels of the target nucleus. SRM Hamiltonian parameters are adjusted to the observed collective levels of the target nucleus. SRM nuclear wave functions (mixed in K quantum number) have been used to calculate coupling matrix elements of the generalized optical model. Five rotational bands are coupled: the ground-state band, β-, γ-, non-axial- bands, and a negative parity band. Such coupling scheme includes almost all levels below 1.2 MeV of excitation energy of targets. The "effective" deformations that define inter-band couplings are derived from SRM Hamiltonian parameters. Conservation of nuclear volume is enforced by introducing a monopolar deformed potential leading to additional couplings between rotational bands. The present DCCOM describes the total cross section differences between 238U and 232Th targets within experimental uncertainty from 50 keV up to 200 MeV of neutron incident energy. SRM couplings and volume conservation allow a precise calculation of the compound-nucleus (CN) formation cross sections, which is significantly different from the one calculated with rigid-rotor potentials with any number of coupled levels.
NASA Astrophysics Data System (ADS)
Aghdassi, Nabi; Wang, Qi; Ji, Ru-Ru; Wang, Bin; Fan, Jian; Duhm, Steffen
2018-05-01
7,8,15,16-tetraazaterrylene (TAT) thin films grown on highly oriented pyrolytic graphite (HOPG) substrates were studied extensively with regard to their intrinsic and interfacial electronic properties by means of ultraviolet photoelectron spectroscopy (UPS). Merely weak substrate–adsorbate interaction occurs at the TAT/HOPG interface, with interface energetics being only little affected by the nominal film thickness. Photon energy-dependent UPS performed perpendicular to the molecular planes of TAT multilayer films at room temperature clearly reveals band-like intermolecular dispersion of the TAT highest occupied molecular orbital (HOMO) energy. Based on a comparison with a tight-binding model, a relatively narrow bandwidth of 54 meV is derived, which points to the presence of an intermediate regime between hopping and band-like hole transport. Upon additional deposition of 2,2‧:5‧,2″:5″,2″‧-quaterthiophene (4T), a 4T:TAT donor–acceptor bulk heterojunction with a considerable HOMO-level offset at the donor–acceptor interface is formed. The 4T:TAT bulk heterojunction likewise exhibits intermolecular dispersion of the TAT HOMO energy, yet with a significant decreased bandwidth.
Impact of Antibody Bioconjugation on Emission and Energy Band Profile of CdSeTe/ZnS Quantum Dots
NASA Astrophysics Data System (ADS)
Torchynska, T. V.; Gomez, J. A. Jaramillo; Polupan, G.; Macotela, L. G. Vega
2018-03-01
The variation of the photoluminescence (PL) and Raman scattering spectra of CdSeTe/ZnS quantum dots (QDs) on conjugation to an antibody has been investigated. Two types of CdSeTe/ZnS QD with different emission wavelength (705 nm and 800 nm) were studied comparatively before and after conjugation to anti-pseudorabies virus antibody (AB). Nonconjugated QDs were characterized by Gaussian-type PL bands. PL shifts to higher energy and asymmetric shape of PL bands was detected in PL spectra of bioconjugated QDs. The surface-enhanced Raman scattering effect was exhibited by the bioconjugated CdSeTe/ZnS QDs, indicating that the excitation light used in the Raman study generated electric dipoles in the AB molecules. The optical bandgap of the CdSeTe core was calculated numerically as a function of its radius based on an effective mass approximation model. The energy band diagrams for non- and bioconjugated CdSeTe/ZnS QDs were obtained, revealing a type II quantum well in the CdSeTe core. The calculations show that AB dipoles, excited in the bioconjugated QDs, stimulate a change in the energy band diagram of the QDs that alters the PL spectrum. These results could be useful for improving the sensitivity of QD biosensors.
Suram, Santosh K; Newhouse, Paul F; Zhou, Lan; Van Campen, Douglas G; Mehta, Apurva; Gregoire, John M
2016-11-14
Combinatorial materials science strategies have accelerated materials development in a variety of fields, and we extend these strategies to enable structure-property mapping for light absorber materials, particularly in high order composition spaces. High throughput optical spectroscopy and synchrotron X-ray diffraction are combined to identify the optical properties of Bi-V-Fe oxides, leading to the identification of Bi 4 V 1.5 Fe 0.5 O 10.5 as a light absorber with direct band gap near 2.7 eV. The strategic combination of experimental and data analysis techniques includes automated Tauc analysis to estimate band gap energies from the high throughput spectroscopy data, providing an automated platform for identifying new optical materials.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Gumenyuk, Regina; Okhotnikov, Oleg G.; Golant, Konstantin
2011-05-09
The experimental evidence of laser transition type in bismuth-doped silica fibers operating at different spectral bands is presented. Spectrally resolved transient (relaxation) oscillations studied for a Bi-doped fiber laser at room and liquid-nitrogen temperatures allow to identify the three- and four-level energy bands. 1.18 {mu}m short-wavelength band is found to be a three-level system at room temperature with highly populated terminal energy level of laser transition. The depopulation of ground level by cooling the fiber down to liquid-nitrogen temperature changes the transition to four-level type. Four-level energy transition distinguished at 1.32 {mu}m exhibits the net gain at room temperature.
Electric-dipole effect of defects on the energy band alignment of rutile and anatase TiO₂.
Zhang, Daoyu; Yang, Minnan; Dong, Shuai
2015-11-21
Titanium dioxide materials have been studied intensively and extensively for photocatalytic applications. A long-standing open question is the energy band alignment of rutile and anatase TiO2 phases, which can affect the photocatalytic process in the composite system. There are basically two contradictory viewpoints about the alignment of these two TiO2 phases supported by the respective experiments: (1) straddling type and (2) staggered type. In this work, our DFT plus U calculations show that the perfect rutile(110) and anatase(101) surfaces have the straddling type band alignment, whereas the surfaces with defects can turn the band alignment into the staggered type. The electric dipoles induced by defects are responsible for the reversal of band alignment. Thus the defects introduced during the preparation and post-treatment processes of materials are probably the answer to the above open question regarding the band alignment, which can be considered in real practice to tune the photocatalytic activity of materials.
Zhang, Yu; Qi, Fuyuan; Li, Ying; Zhou, Xin; Sun, Hongfeng; Zhang, Wei; Liu, Daliang; Song, Xi-Ming
2017-07-15
We report a novel graphene oxide quantum dot (GOQD)-sensitized porous TiO 2 microsphere for efficient photoelectric conversion. Electro-chemical analysis along with the Mott-Schottky equation reveals conductivity type and energy band structure of the two semiconductors. Based on their energy band structures, visible light-induced electrons can transfer from the p-type GOQD to the n-type TiO 2 . Enhanced photocurrent and photocatalytic activity in visible light further confirm the enhanced separation of electrons and holes in the nanocomposite. Copyright © 2017 Elsevier Inc. All rights reserved.
Wang, Lihan; Gan, John Q; Zhang, Li; Wang, Haixian
2018-06-01
Previous neuroimaging research investigating dissociation between single-digit addition and multiplication has suggested that the former placed more reliance on the visuo-spatial processing whereas the latter on the verbal processing. However, there has been little exploration into the disassociation in spatio-temporal dynamics of the oscillatory brain activity in specific frequency bands during the two arithmetic operations. To address this issue, the electroencephalogram (EEG) data were recorded from 19 participants engaged in a delayed verification arithmetic task. By analyzing oscillatory EEG activity in theta (5-7 Hz) and lower alpha frequency (9-10 Hz) bands, we found different patterns of oscillatory brain activity between single-digit addition and multiplication during the early processing stage (0-400 ms post-operand onset). Experiment results in this study showed a larger phasic increase of theta-band power for addition than for multiplication in the midline and the right frontal and central regions during the operator and operands presentation intervals, which was extended to the right parietal and the right occipito-temporal regions during the interval immediately after the operands presentation. In contrast, during multiplication higher phase-locking in lower alpha band was evident in the centro-parietal regions during the operator presentation, which was extended to the left fronto-central and anterior regions during the operands presentation. Besides, we found stronger theta phase synchrony between the parietal areas and the right occipital areas for single-digit addition than for multiplication during operands encoding. These findings of oscillatory brain activity extend the previous observations on functional dissociation between the two arithmetic operations. Copyright © 2018 Elsevier B.V. All rights reserved.
Pair Formation of Hard Core Bosons in Flat Band Systems
NASA Astrophysics Data System (ADS)
Mielke, Andreas
2018-05-01
Hard core bosons in a large class of one or two dimensional flat band systems have an upper critical density, below which the ground states can be described completely. At the critical density, the ground states are Wigner crystals. If one adds a particle to the system at the critical density, the ground state and the low lying multi particle states of the system can be described as a Wigner crystal with an additional pair of particles. The energy band for the pair is separated from the rest of the multi-particle spectrum. The proofs use a Gerschgorin type of argument for block diagonally dominant matrices. In certain one-dimensional or tree-like structures one can show that the pair is localised, for example in the chequerboard chain. For this one-dimensional system with periodic boundary condition the energy band for the pair is flat, the pair is localised.
Edge effects on band gap energy in bilayer 2H-MoS{sub 2} under uniaxial strain
DOE Office of Scientific and Technical Information (OSTI.GOV)
Dong, Liang; Wang, Jin; Dongare, Avinash M., E-mail: dongare@uconn.edu
2015-06-28
The potential of ultrathin MoS{sub 2} nanostructures for applications in electronic and optoelectronic devices requires a fundamental understanding in their electronic structure as a function of strain. Previous experimental and theoretical studies assume that an identical strain and/or stress state is always maintained in the top and bottom layers of a bilayer MoS{sub 2} film. In this study, a bilayer MoS{sub 2} supercell is constructed differently from the prototypical unit cell in order to investigate the layer-dependent electronic band gap energy in a bilayer MoS{sub 2} film under uniaxial mechanical deformations. The supercell contains an MoS{sub 2} bottom layer andmore » a relatively narrower top layer (nanoribbon with free edges) as a simplified model to simulate the as-grown bilayer MoS{sub 2} flakes with free edges observed experimentally. Our results show that the two layers have different band gap energies under a tensile uniaxial strain, although they remain mutually interacting by van der Waals interactions. The deviation in their band gap energies grows from 0 to 0.42 eV as the uniaxial strain increases from 0% to 6% under both uniaxial strain and stress conditions. The deviation, however, disappears if a compressive uniaxial strain is applied. These results demonstrate that tensile uniaxial strains applied to bilayer MoS{sub 2} films can result in distinct band gap energies in the bilayer structures. Such variations need to be accounted for when analyzing strain effects on electronic properties of bilayer or multilayered 2D materials using experimental methods or in continuum models.« less
Identical Bands: Does ``Seeing Double'' Mean We Learn Twice as Much?
NASA Astrophysics Data System (ADS)
Fallon, Paul
1996-10-01
The phenomenon of `identical bands' has been under discussion for several years, however the origin of this surprising observation, whereby rotational cascades in different nuclei exhibit very similar transition energies (and/or moments of inertia), remains uncertain. The first cases of identical superdeformed bands were observed when only a small number of superdeformed bands were known. Since then many more examples of superdeformation have been found and it is important to see if the number of `identical' bands has risen in proportion. In addition the `identical' band discussion has been extended to normal deformed nuclei. In this talk I will briefly review the topic of identical bands and attempt to address the progress made and add some personal views on what remains to be done. Work supported in part by the U.S. DOE under contract number DE-AC03-76SF0098.
Composite Piezoelectric Rubber Band for Energy Harvesting from Breathing and Limb Motion
NASA Astrophysics Data System (ADS)
Wang, Jhih-Jhe; Su, Huan-Jan; Hsu, Chang-I.; Su, Yu-Chuan
2014-11-01
We have successfully demonstrated the design and microfabrication of piezoelectric rubber bands and their application in energy harvesting from human motions. Composite polymeric and metallic microstructures with embedded bipolar charges are employed to realize the desired stretchability and electromechanical sensitivity. In the prototype demonstration, multilayer PDMS cellular structures coated with PTFE films and stretchable gold electrodes are fabricated and implanted with bipolar charges. The composite structures show elasticity of 300~600 kPa and extreme piezoelectricity of d33 >2000 pC/N and d31 >200 pC/N. For a working volume of 2.5cm×2.5cm×0.3mm, 10% (or 2.5mm) stretch results in effective d31 of >17000 pC/N. It is estimated that electric charge of >0.2 μC can be collected and stored per breath (or 2.5cm deformation). As such, the composite piezoelectric rubber bands (with spring constants of ~200 N/m) can be mounted on elastic waistbands to harvest the circumferential stretch during breathing, or on pads around joints to harvest the elongation during limb motion. Furthermore, the wearable piezoelectric structures can be spread, stacked and connected to charge energy storages and power micro devices.
Theoretical modeling of low-energy electronic absorption bands in reduced cobaloximes
Bhattacharjee, Anirban; Chavarot-Kerlidou, Murielle; Dempsey, Jillian L.; ...
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.
Suram, Santosh K.; Newhouse, Paul F.; Zhou, Lan; ...
2016-09-23
Combinatorial materials science strategies have accelerated materials development in a variety of fields, and we extend these strategies to enable structure-property mapping for light absorber materials, particularly in high order composition spaces. High throughput optical spectroscopy and synchrotron X-ray diffraction are combined to identify the optical properties of Bi-V-Fe oxides, leading to the identification of Bi 4V 1.5Fe 0.5O 10.5 as a light absorber with direct band gap near 2.7 eV. Here, the strategic combination of experimental and data analysis techniques includes automated Tauc analysis to estimate band gap energies from the high throughput spectroscopy data, providing an automated platformmore » for identifying new optical materials.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Suram, Santosh K.; Newhouse, Paul F.; Zhou, Lan
Combinatorial materials science strategies have accelerated materials development in a variety of fields, and we extend these strategies to enable structure-property mapping for light absorber materials, particularly in high order composition spaces. High throughput optical spectroscopy and synchrotron X-ray diffraction are combined to identify the optical properties of Bi-V-Fe oxides, leading to the identification of Bi 4V 1.5Fe 0.5O 10.5 as a light absorber with direct band gap near 2.7 eV. Here, the strategic combination of experimental and data analysis techniques includes automated Tauc analysis to estimate band gap energies from the high throughput spectroscopy data, providing an automated platformmore » for identifying new optical materials.« less
Energy Band Gap Dependence of Valley Polarization of the Hexagonal Lattice
NASA Astrophysics Data System (ADS)
Ghalamkari, Kazu; Tatsumi, Yuki; Saito, Riichiro
2018-02-01
The origin of valley polarization of the hexagonal lattice is analytically discussed by tight binding method as a function of energy band gap. When the energy gap decreases to zero, the intensity of optical absorption becomes sharp as a function of k near the K (or K') point in the hexagonal Brillouin zone, while the peak intensity at the K (or K') point keeps constant with decreasing the energy gap. When the dipole vector as a function of k can have both real and imaginary parts that are perpendicular to each other in the k space, the valley polarization occurs. When the dipole vector has only real values by selecting a proper phase of wave functions, the valley polarization does not occur. The degree of the valley polarization may show a discrete change that can be relaxed to a continuous change of the degree of valley polarization when we consider the life time of photo-excited carrier.
Projected Shell Model Description of Positive Parity Band of 130Pr Nucleus
NASA Astrophysics Data System (ADS)
Singh, Suram; Kumar, Amit; Singh, Dhanvir; Sharma, Chetan; Bharti, Arun; Bhat, G. H.; Sheikh, J. A.
2018-02-01
Theoretical investigation of positive parity yrast band of odd-odd 130Pr nucleus is performed by applying the projected shell model. The present study is undertaken to investigate and verify the very recently observed side band in 130Pr theoretically in terms of quasi-particle (qp) configuration. From the analysis of band diagram, the yrast as well as side band are found to arise from two-qp configuration πh 11/2 ⊗ νh 11/2. The present calculations are viewed to have qualitatively reproduced the known experimental data for yrast states, transition energies, and B( M1) / B( E2) ratios of this nucleus. The recently observed positive parity side band is also reproduced by the present calculations. The energy states of the side band are predicted up to spin 25+, which is far above the known experimental spin of 18+ and this could serve as a motivational factor for future experiments. In addition, the reduced transition probability B( E2) for interband transitions has also been calculated for the first time in projected shell model, which would serve as an encouragement for other research groups in the future.
Interface band alignment in high-k gate stacks
NASA Astrophysics Data System (ADS)
Eric, Bersch; Hartlieb, P.
2005-03-01
In order to successfully implement alternate high-K dielectric materials into MOS structures, the interface properties of MOS gate stacks must be better understood. Dipoles that may form at the metal/dielectric and dielectric/semiconductor interfaces make the band offsets difficult to predict. We have measured the conduction and valence band densities of states for a variety MOS stacks using in situ using inverse photoemission (IPE) and photoemission spectroscopy (PES), respectively. Results obtained from clean and metallized (with Ru or Al) HfO2/Si, SiO2/Si and mixed silicate films will be presented. IPE indicates a shift of the conduction band minimum (CBM) to higher energy (i.e. away from EF) with increasing SiO2. The effect of metallization on the location of band edges depends upon the metal species. The addition of N to the dielectrics shifts the CBM in a way that is thickness dependent. Possible mechanisms for these observed effects will be discussed.
Enhanced Spontaneous Emission of Bloch Oscillation Radiation from a Single Energy Band
2006-06-30
ignore interband tunneling , spon- taneous photon emission occurs as the Bloch electron inter- acts with the quantum radiation field; the emission occurs... interband coupling 17 and electron intraband scattering are ignored. Therefore, the quantum dynamics is described by the time-dependent Schrödinger...single band “n0” of a periodic crystal with energy n0K; the ef- fects of interband coupling15 and electron intraband scatter- ing are ignored
NASA Astrophysics Data System (ADS)
Reynders, Edwin P. B.; Langley, Robin S.
2018-08-01
The hybrid deterministic-statistical energy analysis method has proven to be a versatile framework for modeling built-up vibro-acoustic systems. The stiff system components are modeled deterministically, e.g., using the finite element method, while the wave fields in the flexible components are modeled as diffuse. In the present paper, the hybrid method is extended such that not only the ensemble mean and variance of the harmonic system response can be computed, but also of the band-averaged system response. This variance represents the uncertainty that is due to the assumption of a diffuse field in the flexible components of the hybrid system. The developments start with a cross-frequency generalization of the reciprocity relationship between the total energy in a diffuse field and the cross spectrum of the blocked reverberant loading at the boundaries of that field. By making extensive use of this generalization in a first-order perturbation analysis, explicit expressions are derived for the cross-frequency and band-averaged variance of the vibrational energies in the diffuse components and for the cross-frequency and band-averaged variance of the cross spectrum of the vibro-acoustic field response of the deterministic components. These expressions are extensively validated against detailed Monte Carlo analyses of coupled plate systems in which diffuse fields are simulated by randomly distributing small point masses across the flexible components, and good agreement is found.
Local strain-induced band gap fluctuations and exciton localization in aged WS2 monolayers
NASA Astrophysics Data System (ADS)
Krustok, J.; Kaupmees, R.; Jaaniso, R.; Kiisk, V.; Sildos, I.; Li, B.; Gong, Y.
2017-06-01
Optical properties of aged WS2 monolayers grown by CVD method on Si/SiO2 substrates are studied using temperature dependent photoluminescence and reflectance contrast spectroscopy. Aged WS2 monolayers have a typical surface roughness about 0.5 nm and, in addition, a high density of nanoparticles (nanocaps) with the base diameter about 30 nm and average height of 7 nm. The A-exciton of aged monolayer has a peak position at 1.951 eV while in as-grown monolayer the peak is at about 24 meV higher energy at room temperature. This red-shift is explained using local tensile strain concept, where strain value of 2.1% was calculated for these nanocap regions. Strained nanocaps have lower band gap energy and excitons will funnel into these regions. At T=10K a double exciton and trion peaks were revealed. The separation between double peaks is about 20 meV and the origin of higher energy peaks is related to the optical band gap energy fluctuations caused by random distribution of local tensile strain due to increased surface roughness. In addition, a wide defect related exciton band XD was found at about 1.93 eV in all aged monolayers. It is shown that the theory of localized excitons describes well the temperature dependence of peak position and halfwidth of the A-exciton band. The possible origin of nanocaps is also discussed.
NASA Astrophysics Data System (ADS)
Pelicano, Christian Mark; Rapadas, Nick; Cagatan, Gerard; Magdaluyo, Eduardo
2017-12-01
Herein, the crystallite size and band gap energy of zinc oxide (ZnO) quantum dots were predicted using artificial neural network (ANN). Three input factors including reagent ratio, growth time, and growth temperature were examined with respect to crystallite size and band gap energy as response factors. The generated results from neural network model were then compared with the experimental results. Experimental crystallite size and band gap energy of ZnO quantum dots were measured from TEM images and absorbance spectra, respectively. The Levenberg-Marquardt (LM) algorithm was used as the learning algorithm for the ANN model. The performance of the ANN model was then assessed through mean square error (MSE) and regression values. Based on the results, the ANN modelling results are in good agreement with the experimental data.
Symmetries and band gaps in nanoribbons
NASA Astrophysics Data System (ADS)
Zhang, Zhiwei; Tian, Yiteng; Fernando, Gayanath; Kocharian, Armen
In ideal graphene-like systems, time reversal and sublattice symmetries preserve the degeneracies at the Dirac point(s). We have examined such degeneracies in the band structure as well as the transport properties in various arm-twisted (graphene-related) nanoribbons. A twist angle is defined such that at 0 degrees the ribbon is a rectangular ribbon and at 60 degrees the ribbon is cut from a honeycomb lattice. Using model Hamiltonians and first principles calculations in these nanoribbons with Z2 topology, we have monitored the band structure as a function of the twist angle θ. In twisted ribbons, it turns out that the introduction of an extra hopping term leads to a gap opening. We have also calculated the size and temperature broadening effects in similar ribbons in addition to Rashba-induced transport properties. The authors acknowledge the computing facilities provided by the Center for Functional Nanomaterials, Brookhaven National Laboratory supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No.DE-AC02- 98CH10886.
Zhong, Hongliang; Li, Zhe; Deledalle, Florent; Fregoso, Elisa Collado; Shahid, Munazza; Fei, Zhuping; Nielsen, Christian B; Yaacobi-Gross, Nir; Rossbauer, Stephan; Anthopoulos, Thomas D; Durrant, James R; Heeney, Martin
2013-02-13
We report the synthesis of a novel ladder-type fused ring donor, dithienogermolodithiophene, in which two thieno[3,2-b]thiophene units are held coplanar by a bridging dialkyl germanium. Polymerization of this extended monomer with N-octylthienopyrrolodione by Stille polycondensation afforded a polymer, pDTTG-TPD, with an optical band gap of 1.75 eV combined with a high ionization potential. Bulk heterojunction solar cells based upon pDTTG-TPD:PC(71)BM blends afforded efficiencies up to 7.2% without the need for thermal annealing or processing additives.
Optical Band Gap Alteration of Graphene Oxide via Ozone Treatment.
Hasan, Md Tanvir; Senger, Brian J; Ryan, Conor; Culp, Marais; Gonzalez-Rodriguez, Roberto; Coffer, Jeffery L; Naumov, Anton V
2017-07-25
Graphene oxide (GO) is a graphene derivative that emits fluorescence, which makes GO an attractive material for optoelectronics and biotechnology. In this work, we utilize ozone treatment to controllably tune the band gap of GO, which can significantly enhance its applications. Ozone treatment in aqueous GO suspensions yields the addition/rearrangement of oxygen-containing functional groups suggested by the increase in vibrational transitions of C-O and C=O moieties. Concomitantly it leads to an initial increase in GO fluorescence intensity and significant (100 nm) blue shifts in emission maxima. Based on the model of GO fluorescence originating from sp 2 graphitic islands confined by oxygenated addends, we propose that ozone-induced functionalization decreases the size of graphitic islands affecting the GO band gap and emission energies. TEM analyses of GO flakes confirm the size decrease of ordered sp 2 domains with ozone treatment, whereas semi-empirical PM3 calculations on model addend-confined graphitic clusters predict the inverse dependence of the band gap energies on sp 2 cluster size. This model explains ozone-induced increase in emission energies yielding fluorescence blue shifts and helps develop an understanding of the origins of GO fluorescence emission. Furthermore, ozone treatment provides a versatile approach to controllably alter GO band gap for optoelectronics and bio-sensing applications.
In-beam spectroscopy of the k π=0- bands in230 236U
NASA Astrophysics Data System (ADS)
Zeyen, P.; Ackermann, B.; Dämmrich, U.; Euler, K.; Grafen, V.; Günther, C.; Herzog, P.; Marten-Tölle, M.; Prillwitz, B.; Tölle, R.; Lauterbach, Ch.; Maier, H. J.
1987-12-01
The K π=0- bands in even uranium nuclei were studied in the compound reactions231Pa( p, 2 n)230U,230, 232Th( α,2 n)232, 234U and236U( d, pn)236U. In-beam γ-rays were measured in coincidence with conversion-electrons, which were detected with an iron-free orange spectrometer. The negative-parity levels are observed up to intermediate spins ( I<13-). In addition, the 1- and 3- levels in230U were confirmed by a decay study with an isotope separated230Pa source. For the heavier isotopes ( A≥232) the properties of the K π=0- bands (energies and γ-branchings) are consistent with a vibrational character of these bands. For230U the K π=0- band lies at rather low energy ( E(1-)=367 keV), and the level spacings within this band are very similar to those of the isotones228Th and226Ra, which might indicate the onset of a stable octupole deformation.
Elimination of surface band bending on N-polar InN with thin GaN capping
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kuzmík, J., E-mail: Jan.Kuzmik@savba.sk; Haščík, Š.; Kučera, M.
2015-11-09
0.5–1 μm thick InN (0001) films grown by molecular-beam epitaxy with N- or In-polarity are investigated for the presence of native oxide, surface energy band bending, and effects introduced by 2 to 4 monolayers of GaN capping. Ex situ angle-resolved x-ray photo-electron spectroscopy is used to construct near-surface (GaN)/InN energy profiles, which is combined with deconvolution of In3d signal to trace the presence of InN native oxide for different types of polarity and capping. Downwards surface energy band bending was observed on bare samples with native oxide, regardless of the polarity. It was found that the In-polar InN surface is mostmore » readily oxidized, however, with only slightly less band bending if compared with the N-polar sample. On the other hand, InN surface oxidation was effectively mitigated by GaN capping. Still, as confirmed by ultra-violet photo-electron spectroscopy and by energy band diagram calculations, thin GaN cap layer may provide negative piezoelectric polarization charge at the GaN/InN hetero-interface of the N-polar sample, in addition to the passivation effect. These effects raised the band diagram up by about 0.65 eV, reaching a flat-band profile.« less
Optical band gaps of organic semiconductor materials
NASA Astrophysics Data System (ADS)
Costa, José C. S.; Taveira, Ricardo J. S.; Lima, Carlos F. R. A. C.; Mendes, Adélio; Santos, Luís M. N. B. F.
2016-08-01
UV-Vis can be used as an easy and forthright technique to accurately estimate the band gap energy of organic π-conjugated materials, widely used as thin films/composites in organic and hybrid electronic devices such as OLEDs, OPVs and OFETs. The electronic and optical properties, including HOMO-LUMO energy gaps of π-conjugated systems were evaluated by UV-Vis spectroscopy in CHCl3 solution for a large number of relevant π-conjugated systems: tris-8-hydroxyquinolinatos (Alq3, Gaq3, Inq3, Al(qNO2)3, Al(qCl)3, Al(qBr)3, In(qNO2)3, In(qCl)3 and In(qBr)3); triphenylamine derivatives (DDP, p-TTP, TPB, TPD, TDAB, m-MTDAB, NPB, α-NPD); oligoacenes (naphthalene, anthracene, tetracene and rubrene); oligothiophenes (α-2T, β-2T, α-3T, β-3T, α-4T and α-5T). Additionally, some electronic properties were also explored by quantum chemical calculations. The experimental UV-Vis data are in accordance with the DFT predictions and indicate that the band gap energies of the OSCs dissolved in CHCl3 solution are consistent with the values presented for thin films.
Concentrated energy addition for active drag reduction in hypersonic flow regime
NASA Astrophysics Data System (ADS)
Ashwin Ganesh, M.; John, Bibin
2018-01-01
Numerical optimization of hypersonic drag reduction technique based on concentrated energy addition is presented in this study. A reduction in wave drag is realized through concentrated energy addition in the hypersonic flowfield upstream of the blunt body. For the exhaustive optimization presented in this study, an in-house high precision inviscid flow solver has been developed. Studies focused on the identification of "optimum energy addition location" have revealed the existence of multiple minimum drag points. The wave drag coefficient is observed to drop from 0.85 to 0.45 when 50 Watts of energy is added to an energy bubble of 1 mm radius located at 74.7 mm upstream of the stagnation point. A direct proportionality has been identified between energy bubble size and wave drag coefficient. Dependence of drag coefficient on the upstream added energy magnitude is also revealed. Of the observed multiple minimum drag points, the energy deposition point (EDP) that offers minimum wave drag just after a sharp drop in drag is proposed as the most optimum energy addition location.
Accurate Energy Consumption Modeling of IEEE 802.15.4e TSCH Using Dual-BandOpenMote Hardware.
Daneels, Glenn; Municio, Esteban; Van de Velde, Bruno; Ergeerts, Glenn; Weyn, Maarten; Latré, Steven; Famaey, Jeroen
2018-02-02
The Time-Slotted Channel Hopping (TSCH) mode of the IEEE 802.15.4e amendment aims to improve reliability and energy efficiency in industrial and other challenging Internet-of-Things (IoT) environments. This paper presents an accurate and up-to-date energy consumption model for devices using this IEEE 802.15.4e TSCH mode. The model identifies all network-related CPU and radio state changes, thus providing a precise representation of the device behavior and an accurate prediction of its energy consumption. Moreover, energy measurements were performed with a dual-band OpenMote device, running the OpenWSN firmware. This allows the model to be used for devices using 2.4 GHz, as well as 868 MHz. Using these measurements, several network simulations were conducted to observe the TSCH energy consumption effects in end-to-end communication for both frequency bands. Experimental verification of the model shows that it accurately models the consumption for all possible packet sizes and that the calculated consumption on average differs less than 3% from the measured consumption. This deviation includes measurement inaccuracies and the variations of the guard time. As such, the proposed model is very suitable for accurate energy consumption modeling of TSCH networks.
Accurate Energy Consumption Modeling of IEEE 802.15.4e TSCH Using Dual-BandOpenMote Hardware
Municio, Esteban; Van de Velde, Bruno; Latré, Steven
2018-01-01
The Time-Slotted Channel Hopping (TSCH) mode of the IEEE 802.15.4e amendment aims to improve reliability and energy efficiency in industrial and other challenging Internet-of-Things (IoT) environments. This paper presents an accurate and up-to-date energy consumption model for devices using this IEEE 802.15.4e TSCH mode. The model identifies all network-related CPU and radio state changes, thus providing a precise representation of the device behavior and an accurate prediction of its energy consumption. Moreover, energy measurements were performed with a dual-band OpenMote device, running the OpenWSN firmware. This allows the model to be used for devices using 2.4 GHz, as well as 868 MHz. Using these measurements, several network simulations were conducted to observe the TSCH energy consumption effects in end-to-end communication for both frequency bands. Experimental verification of the model shows that it accurately models the consumption for all possible packet sizes and that the calculated consumption on average differs less than 3% from the measured consumption. This deviation includes measurement inaccuracies and the variations of the guard time. As such, the proposed model is very suitable for accurate energy consumption modeling of TSCH networks. PMID:29393900
High Peak Power Test and Evaluation of S-band Waveguide Switches
NASA Astrophysics Data System (ADS)
Nassiri, A.; Grelick, A.; Kustom, R. L.; White, M.
1997-05-01
The injector and source of particles for the Advanced Photon Source is a 2856-MHz S-band electron-positron linear accelerator (linac) which produces electrons with energies up to 650 MeV or positrons with energies up to 450 MeV. To improve the linac rf system availability, an additional modulator-klystron subsystem is being constructed to provide a switchable hot spare unit for each of the five exsisting S-band transmitters. The switching of the transmitters will require the use of SF6-pressurized S-band waveguide switches at a peak operating power of 35 MW. Such rf switches have been successfully operated at other accelerator facilities but at lower peak powers. A test stand has been set up at the Stanford Linear Accelerator Center (SLAC) Klystron Factory to conduct tests comparing the power handling characteristics of two WR-284 and one WR-340 switches. Test results are presented and their implications for the design of the switching system are discussed.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Wang, X. G., E-mail: wang2006@mail.ustc.edu.cn; Wang, L., E-mail: sqtb@mail.ustc.edu.cn; Liu, J., E-mail: jingliu@mail.ustc.edu.cn
2014-03-31
Band structures of PbTe can be abnormally bended via dual-doping on both the cationic and anionic sites to form camel-back multivalley energy band structures near the band edge. As a result, additional carrier pockets and strong intervalley scattering of carriers are introduced. Boltzmann transport calculations indicate that their contradictory effects yield remarkably enhanced power factor due to the improved thermopower and almost unchanged electrical conductivity in low temperature and high carrier concentration ranges. These findings prove dual-doping-induced band bending as an effective approach to improve the thermoelectric properties of PbTe and other similar materials.
Energy band gaps in graphene nanoribbons with corners
NASA Astrophysics Data System (ADS)
Szczȩśniak, Dominik; Durajski, Artur P.; Khater, Antoine; Ghader, Doried
2016-05-01
In the present paper, we study the relation between the band gap size and the corner-corner length in representative chevron-shaped graphene nanoribbons (CGNRs) with 120° and 150° corner edges. The direct physical insight into the electronic properties of CGNRs is provided within the tight-binding model with phenomenological edge parameters, developed against recent first-principle results. We show that the analyzed CGNRs exhibit inverse relation between their band gaps and corner-corner lengths, and that they do not present a metal-insulator transition when the chemical edge modifications are introduced. Our results also suggest that the band gap width for the CGNRs is predominantly governed by the armchair edge effects, and is tunable through edge modifications with foreign atoms dressing.
Einstein coefficients for rotational lines of the (0,0) band of the NO A2sigma(+)-X2Pi system
NASA Technical Reports Server (NTRS)
Reisel, John R.; Carter, Campbell D.; Laurendeau, Normand M.
1992-01-01
A summary of the spectroscopic equations necessary for prediction of the molecular transition energies and the Einstein A and B coefficients for rovibronic lines of the gamma(0,0) band of nitric oxide (NO) is presented. The calculated molecular transition energies are all within 0.57/cm of published experimental values; in addition, over 95 percent of the calculated energies give agreement with measured results within 0.25/cm. Einstein coefficients are calculated from the band A00 value and the known Hoenl-London factors and are tabulated for individual rovibronic transitions in the NO A2sigma(+)-X2Pi(0,0) band.
NASA Astrophysics Data System (ADS)
Khomyakov, Petr A.; Luisier, Mathieu; Schenk, Andreas
2015-08-01
Using first-principles calculations, we show that the conduction and valence band energies and their deformation potentials exhibit a non-negligible compositional bowing in strained ternary semiconductor alloys such as InGaAs. The electronic structure of these compounds has been calculated within the framework of local density approximation and hybrid functional approach for large cubic supercells and special quasi-random structures, which represent two kinds of model structures for random alloys. We find that the predicted bowing effect for the band energy deformation potentials is rather insensitive to the choice of the functional and alloy structural model. The direction of bowing is determined by In cations that give a stronger contribution to the formation of the InxGa1-xAs valence band states with x ≳ 0.5, compared to Ga cations.
Positron and electron energy bands in several ionic crystals using restricted Hartree-Fock method
NASA Astrophysics Data System (ADS)
Kunz, A. B.; Waber, J. T.
1981-08-01
Using a restricted Hartree-Fock formalism and suitably localized and symmetrized wave functions, both the positron and electron energy bands were calculated for NaF, MgO and NiO. The lowest positron state at Γ 1 lies above the vacuum level and negative work functions are predicted. Positron annihilation rates were calculated and found to be in good agreement with measured lifetimes.
Single-Band and Dual-Band Infrared Detectors
NASA Technical Reports Server (NTRS)
Ting, David Z. (Inventor); Gunapala, Sarath D. (Inventor); Soibel, Alexander (Inventor); Nguyen, Jean (Inventor); Khoshakhlagh, Arezou (Inventor)
2015-01-01
Bias-switchable dual-band infrared detectors and methods of manufacturing such detectors are provided. The infrared detectors are based on a back-to-back heterojunction diode design, where the detector structure consists of, sequentially, a top contact layer, a unipolar hole barrier layer, an absorber layer, a unipolar electron barrier, a second absorber, a second unipolar hole barrier, and a bottom contact layer. In addition, by substantially reducing the width of one of the absorber layers, a single-band infrared detector can also be formed.
Single-Band and Dual-Band Infrared Detectors
NASA Technical Reports Server (NTRS)
Ting, David Z. (Inventor); Gunapala, Sarath D. (Inventor); Soibel, Alexander (Inventor); Nguyen, Jean (Inventor); Khoshakhlagh, Arezou (Inventor)
2017-01-01
Bias-switchable dual-band infrared detectors and methods of manufacturing such detectors are provided. The infrared detectors are based on a back-to-back heterojunction diode design, where the detector structure consists of, sequentially, a top contact layer, a unipolar hole barrier layer, an absorber layer, a unipolar electron barrier, a second absorber, a second unipolar hole barrier, and a bottom contact layer. In addition, by substantially reducing the width of one of the absorber layers, a single-band infrared detector can also be formed.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Caro, Miguel A., E-mail: mcaroba@gmail.com; Department of Applied Physics, COMP Centre of Excellence in Computational Nanoscience, Aalto University, Espoo; Määttä, Jukka
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. Ourmore » 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.« less
Non-pairwise additivity of the leading-order dispersion energy
DOE Office of Scientific and Technical Information (OSTI.GOV)
Hollett, Joshua W., E-mail: j.hollett@uwinnipeg.ca
2015-02-28
The leading-order (i.e., dipole-dipole) dispersion energy is calculated for one-dimensional (1D) and two-dimensional (2D) infinite lattices, and an infinite 1D array of infinitely long lines, of doubly occupied locally harmonic wells. The dispersion energy is decomposed into pairwise and non-pairwise additive components. By varying the force constant and separation of the wells, the non-pairwise additive contribution to the dispersion energy is shown to depend on the overlap of density between neighboring wells. As well separation is increased, the non-pairwise additivity of the dispersion energy decays. The different rates of decay for 1D and 2D lattices of wells is explained inmore » terms of a Jacobian effect that influences the number of nearest neighbors. For an array of infinitely long lines of wells spaced 5 bohrs apart, and an inter-well spacing of 3 bohrs within a line, the non-pairwise additive component of the leading-order dispersion energy is −0.11 kJ mol{sup −1} well{sup −1}, which is 7% of the total. The polarizability of the wells and the density overlap between them are small in comparison to that of the atomic densities that arise from the molecular density partitioning used in post-density-functional theory (DFT) damped dispersion corrections, or DFT-D methods. Therefore, the nonadditivity of the leading-order dispersion observed here is a conservative estimate of that in molecular clusters.« less
Anomalies in the 1D Anderson model: Beyond the band-centre and band-edge cases
NASA Astrophysics Data System (ADS)
Tessieri, L.; Izrailev, F. M.
2018-03-01
We consider the one-dimensional Anderson model with weak disorder. Using the Hamiltonian map approach, we analyse the validity of the random-phase approximation for resonant values of the energy, E = 2 cos(πr) , with r a rational number. We expand the invariant measure of the phase variable in powers of the disorder strength and we show that, contrary to what happens at the centre and at the edges of the band, for all other resonant energies the leading term of the invariant measure is uniform. When higher-order terms are taken into account, a modulation of the invariant measure appears for all resonant values of the energy. This implies that, when the localisation length is computed within the second-order approximation in the disorder strength, the Thouless formula is valid everywhere except at the band centre and at the band edges.
Energy-effective Grinding of Inorganic Solids Using Organic Additives.
Mishra, Ratan K; Weibel, Martin; Müller, Thomas; Heinz, Hendrik; Flatt, Robert J
2017-08-09
We present our research findings related to new formulations of the organic additives (grinding aids) needed for the efficient grinding of inorganic solids. Even though the size reduction phenomena of the inorganic solid particles in a ball mill is purely a physical process, the addition of grinding aids in milling media introduces a complex physicochemical process. In addition to further gain in productivity, the organic additive helps to reduce the energy needed for grinding, which in the case of cement clinker has major environmental implications worldwide. This is primarily due to the tremendous amounts of cement produced and almost 30% of the associated electrical energy is consumed for grinding. In this paper, we examine the question of how to optimize these grinding aids linking molecular insight into their working mechanisms, and also how to design chemical additives of improved performance for industrial comminution.
NASA Astrophysics Data System (ADS)
Polyansky, Oleg L.; Zobov, Nikolai F.; Mizus, Irina I.; Kyuberis, Aleksandra A.; Lodi, Lorenzo; Tennyson, Jonathan
2018-05-01
Monitoring ozone concentrations in the Earth's atmosphere using spectroscopic methods is a major activity which undertaken both from the ground and from space. However there are long-running issues of consistency between measurements made at infrared (IR) and ultraviolet (UV) wavelengths. In addition, key O3 IR bands at 10 μm, 5 μm and 3 μm also yield results which differ by a few percent when used for retrievals. These problems stem from the underlying laboratory measurements of the line intensities. Here we use quantum chemical techniques, first principles electronic structure and variational nuclear-motion calculations, to address this problem. A new high-accuracy ab initio dipole moment surface (DMS) is computed. Several spectroscopically-determined potential energy surfaces (PESs) are constructed by fitting to empirical energy levels in the region below 7000 cm-1 starting from an ab initio PES. Nuclear motion calculations using these new surfaces allow the unambiguous determination of the intensities of 10 μm band transitions, and the computation of the intensities of 10 μm and 5 μm bands within their experimental error. A decrease in intensities within the 3 μm is predicted which appears consistent with atmospheric retrievals. The PES and DMS form a suitable starting point both for the computation of comprehensive ozone line lists and for future calculations of electronic transition intensities.
Sreenath, Kesavapillai; Yuan, Zhao; Allen, John R.
2015-01-01
We demonstrate a strategy to transfer the zinc(II) sensitivity of a fluoroionophore with low photostability and a broad emission band to a bright and photostable fluorophore with a narrow emission band. The two fluorophores are covalently connected to afford an intramolecular Förster resonance energy transfer (FRET) conjugate. The FRET donor in the conjugate is a zinc(II)-sensitive arylvinylbipyridyl fluoroionophore, the absorption and emission of which undergo bathochromic shifts upon zinc(II) coordination. When the FRET donor is excited, efficient intramolecular energy transfer occurs to result in the emission of the acceptor boron dipyrromethene (4,4-difluoro-4-bora-3a,4a-diaza-s-indacene or BODIPY) as a function of zinc(II) concentration. The broad emission band of the donor/zinc(II) complex is transformed into the strong, narrow emission band of the BODIPY acceptor in the FRET conjugates, which can be captured within the narrow emission window that is preferred for multicolor imaging experiments. In addition to competing with other nonradiative decay processes of the FRET donor, the rapid intramolecular FRET of the excited FRET-conjugate molecule protects the donor fluorophore from photobleaching, thus enhancing the photostability of the indicator. FRET conjugates 3 and 4 contain aliphatic amino groups, which selectively target lysosomes in mammalian cells. This subcellular localization preference was verified by using confocal fluorescence microscopy, which also shows the zinc(II)-enhanced emission of 3 and 4 in lysosomes. It was further shown using two-color structured illumination microscopy (SIM), which is capable of extending the lateral resolution over the Abbe diffraction limit by a factor of two, that the morpholino-functionalized compound 4 localizes in the interior of lysosomes, rather than anchoring on the lysosomal membranes, of live HeLa cells. PMID:25382395
NASA Astrophysics Data System (ADS)
Chaves, Andrey; da Costa, D. R.; de Sousa, G. O.; Pereira, J. M.; Farias, G. A.
2015-09-01
We investigate the scattering of a wave packet describing low-energy electrons in graphene by a time-dependent finite-step potential barrier. Our results demonstrate that, after Klein tunneling through the barrier, the electron acquires an extra energy which depends on the rate of change of the barrier height with time. If this rate is negative, the electron loses energy and ends up as a valence band state after leaving the barrier, which effectively behaves as a positively charged quasiparticle.
Quadratic band touching points and flat bands in two-dimensional topological Floquet systems
NASA Astrophysics Data System (ADS)
Du, Liang; Zhou, Xiaoting; Fiete, Gregory A.
2017-01-01
In this paper we theoretically study, using Floquet-Bloch theory, the influence of circularly and linearly polarized light on two-dimensional band structures with Dirac and quadratic band touching points, and flat bands, taking the nearest neighbor hopping model on the kagome lattice as an example. We find circularly polarized light can invert the ordering of this three-band model, while leaving the flat band dispersionless. We find a small gap is also opened at the quadratic band touching point by two-photon and higher order processes. By contrast, linearly polarized light splits the quadratic band touching point (into two Dirac points) by an amount that depends only on the amplitude and polarization direction of the light, independent of the frequency, and generally renders dispersion to the flat band. The splitting is perpendicular to the direction of the polarization of the light. We derive an effective low-energy theory that captures these key results. Finally, we compute the frequency dependence of the optical conductivity for this three-band model and analyze the various interband contributions of the Floquet modes. Our results suggest strategies for optically controlling band structure and interaction strength in real systems.
Toward tunable band gap and tunable dirac point in bilayer graphene with molecular doping.
Yu, Woo Jong; Liao, Lei; Chae, Sang Hoon; Lee, Young Hee; Duan, Xiangfeng
2011-11-09
The bilayer graphene has attracted considerable attention for potential applications in future electronics and optoelectronics because of the feasibility to tune its band gap with a vertical displacement field to break the inversion symmetry. Surface chemical doping in bilayer graphene can induce an additional offset voltage to fundamentally affect the vertical displacement field and the band gap opening in bilayer graphene. In this study, we investigate the effect of chemical molecular doping on band gap opening in bilayer graphene devices with single or dual gate modulation. Chemical doping with benzyl viologen molecules modulates the displacement field to allow the opening of a transport band gap and the increase of the on/off ratio in the bilayer graphene transistors. Additionally, Fermi energy level in the opened gap can be rationally controlled by the amount of molecular doping to obtain bilayer graphene transistors with tunable Dirac points, which can be readily configured into functional devices, such as complementary inverters.
A new silicon phase with direct band gap and novel optoelectronic properties
Guo, Yaguang; Wang, Qian; Kawazoe, Yoshiyuki; ...
2015-09-23
Due to the compatibility with the well-developed Si-based semiconductor industry, there is considerable interest in developing silicon structures with direct energy band gaps for effective sunlight harvesting. In this paper, using silicon triangles as the building block, we propose a new silicon allotrope with a direct band gap of 0.61 eV, which is dynamically, thermally and mechanically stable. Symmetry group analysis further suggests that dipole transition at the direct band gap is allowed. Additionally, this new allotrope displays large carrier mobility (~10 4 cm/V · s) at room temperature and a low mass density (1.71 g/cm 3), making it amore » promising material for optoelectronic applications.« less
Shuttle Ku-band and S-band communications implementation study
NASA Technical Reports Server (NTRS)
Dodds, J. G.; Huth, G. K.; Nilsen, P. W.; Polydoros, A.; Simon, M. K.; Weber, C. L.
1980-01-01
Various aspects of the shuttle orbiter S-band network communication system, the S-band payload communication system, and the Ku-band communication system are considered. A method is proposed for obtaining more accurate S-band antenna patterns of the actual shuttle orbiter vehicle during flight because the preliminary antenna patterns using mock-ups are not realistic that they do not include the effects of additional appendages such as wings and tail structures. The Ku-band communication system is discussed especially the TDRS antenna pointing accuracy with respect to the orbiter and the modifications required and resulting performance characteristics of the convolutionally encoded high data rate return link to maintain bit synchronizer lock on the ground. The TDRS user constraints on data bit clock jitter and data asymmetry on unbalanced QPSK with noisy phase references are included. The S-band payload communication system study is outlined including the advantages and experimental results of a peak regulator design built and evaluated by Axiomatrix for the bent-pipe link versus the existing RMS-type regulator. The nominal sweep rate for the deep-space transponder of 250 Hz/s, and effects of phase noise on the performance of a communication system are analyzed.
NASA Astrophysics Data System (ADS)
Yao, Kaiyuan; Yan, Aiming; Kahn, Salman; Suslu, Aslihan; Liang, Yufeng; Barnard, Edward S.; Tongay, Sefaattin; Zettl, Alex; Borys, Nicholas J.; Schuck, P. James
2017-08-01
Optoelectronic excitations in monolayer MoS2 manifest from a hierarchy of electrically tunable, Coulombic free-carrier and excitonic many-body phenomena. Investigating the fundamental interactions underpinning these phenomena—critical to both many-body physics exploration and device applications—presents challenges, however, due to a complex balance of competing optoelectronic effects and interdependent properties. Here, optical detection of bound- and free-carrier photoexcitations is used to directly quantify carrier-induced changes of the quasiparticle band gap and exciton binding energies. The results explicitly disentangle the competing effects and highlight longstanding theoretical predictions of large carrier-induced band gap and exciton renormalization in two-dimensional semiconductors.
Yao, Kaiyuan; Yan, Aiming; Kahn, Salman; Suslu, Aslihan; Liang, Yufeng; Barnard, Edward S; Tongay, Sefaattin; Zettl, Alex; Borys, Nicholas J; Schuck, P James
2017-08-25
Optoelectronic excitations in monolayer MoS_{2} manifest from a hierarchy of electrically tunable, Coulombic free-carrier and excitonic many-body phenomena. Investigating the fundamental interactions underpinning these phenomena-critical to both many-body physics exploration and device applications-presents challenges, however, due to a complex balance of competing optoelectronic effects and interdependent properties. Here, optical detection of bound- and free-carrier photoexcitations is used to directly quantify carrier-induced changes of the quasiparticle band gap and exciton binding energies. The results explicitly disentangle the competing effects and highlight longstanding theoretical predictions of large carrier-induced band gap and exciton renormalization in two-dimensional semiconductors.
NASA Astrophysics Data System (ADS)
Annese, E.; Okuda, T.; Schwier, E. F.; Iwasawa, H.; Shimada, K.; Natamane, M.; Taniguchi, M.; Rusinov, I. P.; Eremeev, S. V.; Kokh, K. A.; Golyashov, V. A.; Tereshchenko, O. E.; Chulkov, E. V.; Kimura, A.
2018-05-01
We have grown the phase-homogeneous ternary compound with composition Bi2Te1.85S1.15 very close to the stoichiometric Bi2Te2S . The measurements performed with spin- and angle-resolved photoelectron spectroscopy as well as density functional theory and G W calculations revealed a wide-band-gap three-dimensional topological insulator phase. The surface electronic spectrum is characterized by the topological surface state (TSS) with Dirac point located above the valence band and Fermi level lying in the band gap. TSS band dispersion and constant energy contour manifest a weak warping effect near the Fermi level along with in-plane and out-of-plane spin polarization along the Γ ¯-K ¯ line. We identified four additional states at deeper binding energies with high in-plane spin polarization.
Shear-band thickness and shear-band cavities in a Zr-based metallic glass
Liu, C.; Roddatis, V.; Kenesei, P.; ...
2017-08-14
Strain localization into shear bands in metallic glasses is typically described as a mechanism that occurs at the nano-scale, leaving behind a shear defect with a thickness of 10–20 nm. Here we sample the structure of a single system-spanning shear band that has carried all plastic flow with high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM) and high-energy x-ray tomography (XRT). It is found that the shear-band thickness and the density change relative to the matrix sensitively depend on position along the shear band. A wide distribution of shear-band thickness (10 nm–210 nm) and density change (–1% to –12%)more » is revealed. There is no obvious correlation between shear-band thickness and density change, but larger thicknesses correspond typically to higher density changes. More than 100 micron-size shear-band cavities were identified on the shear-band plane, and their three-dimensional arrangement suggests a strongly fluctuating local curvature of the shear plane. As a result, these findings urge for a more complex view of a shear band than a simple nano-scale planar defect.« less
Shear-band thickness and shear-band cavities in a Zr-based metallic glass
DOE Office of Scientific and Technical Information (OSTI.GOV)
Liu, C.; Roddatis, V.; Kenesei, P.
Strain localization into shear bands in metallic glasses is typically described as a mechanism that occurs at the nano-scale, leaving behind a shear defect with a thickness of 10–20 nm. Here we sample the structure of a single system-spanning shear band that has carried all plastic flow with high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM) and high-energy x-ray tomography (XRT). It is found that the shear-band thickness and the density change relative to the matrix sensitively depend on position along the shear band. A wide distribution of shear-band thickness (10 nm–210 nm) and density change (–1% to –12%)more » is revealed. There is no obvious correlation between shear-band thickness and density change, but larger thicknesses correspond typically to higher density changes. More than 100 micron-size shear-band cavities were identified on the shear-band plane, and their three-dimensional arrangement suggests a strongly fluctuating local curvature of the shear plane. As a result, these findings urge for a more complex view of a shear band than a simple nano-scale planar defect.« less
Wang, Cih-Su; Liau, Chi-Shung; Sun, Tzu-Ming; Chen, Yu-Chia; Lin, Tai-Yuan; Chen, Yang-Fang
2015-03-11
A new approach is proposed to light up band-edge stimulated emission arising from a semiconductor with dipole-forbidden band-gap transition. To illustrate our working principle, here we demonstrate the feasibility on the composite of SnO2 nanowires (NWs) and chicken albumen. SnO2 NWs, which merely emit visible defect emission, are observed to generate a strong ultraviolet fluorescence centered at 387 nm assisted by chicken albumen at room temperature. In addition, a stunning laser action is further discovered in the albumen/SnO2 NWs composite system. The underlying mechanism is interpreted in terms of the fluorescence resonance energy transfer (FRET) from the chicken albumen protein to SnO2 NWs. More importantly, the giant oscillator strength of shallow defect states, which is served orders of magnitude larger than that of the free exciton, plays a decisive role. Our approach therefore shows that bio-materials exhibit a great potential in applications for novel light emitters, which may open up a new avenue for the development of bio-inspired optoelectronic devices.
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.
Inoue, Jun-ichi
2013-09-09
We theoretically explore the electromagnetic modes specific to a topological insulator superlattice in which topological and conventional insulator thin films are stacked periodically. In particular, we obtain analytic formulas for low energy mode that corresponds to a helicon wave, as well as those for photonic bands. We illustrate that the system can be modeled as a stack of quantum Hall layers whose conductivity tensors alternately change signs, and then we analyze the photonic band structures. This subject is a natural extension of a previous study by Tselis et al., which took into consideration a stack of identical quantum Hall layers but their discussion was limited into a low energy mode. Thus we provide analytic formulas for photonic bands and compare their features between the two systems. Our central findings in the topological insulator superlattice are that a low energy mode corresponding to a helicon wave has linear dispersion instead of the conventional quadratic form, and that a robust gapless photonic band appears although the system considered has spacial periodicity. In addition, we demonstrate that the photonic bands agree with the numerically calculated transmission spectra.
Quadratic band touching points and flat bands in two-dimensional topological Floquet systems
NASA Astrophysics Data System (ADS)
Du, Liang; Zhou, Xiaoting; Fiete, Gregory; The CenterComplex Quantum Systems Team
In this work we theoretically study, using Floquet-Bloch theory, the influence of circularly and linearly polarized light on two-dimensional band structures with Dirac and quadratic band touching points, and flat bands, taking the nearest neighbor hopping model on the kagome lattice as an example. We find circularly polarized light can invert the ordering of this three band model, while leaving the flat-band dispersionless. We find a small gap is also opened at the quadratic band touching point by 2-photon and higher order processes. By contrast, linearly polarized light splits the quadratic band touching point (into two Dirac points) by an amount that depends only on the amplitude and polarization direction of the light, independent of the frequency, and generally renders dispersion to the flat band. The splitting is perpendicular to the direction of the polarization of the light. We derive an effective low-energy theory that captures these key results. Finally, we compute the frequency dependence of the optical conductivity for this 3-band model and analyze the various interband contributions of the Floquet modes. Our results suggest strategies for optically controlling band structure and interaction strength in real systems. We gratefully acknowledge funding from ARO Grant W911NF-14-1-0579 and NSF DMR-1507621.
Energy band offsets of dielectrics on InGaZnO4
NASA Astrophysics Data System (ADS)
Hays, David C.; Gila, B. P.; Pearton, S. J.; Ren, F.
2017-06-01
Thin-film transistors (TFTs) with channels made of hydrogenated amorphous silicon (a-Si:H) and polycrystalline silicon (poly-Si) are used extensively in the display industry. Amorphous silicon continues to dominate large-format display technology, but a-Si:H has a low electron mobility, μ ˜ 1 cm2/V s. Transparent, conducting metal-oxide materials such as Indium-Gallium-Zinc Oxide (IGZO) have demonstrated electron mobilities of 10-50 cm2/V s and are candidates to replace a-Si:H for TFT backplane technologies. The device performance depends strongly on the type of band alignment of the gate dielectric with the semiconductor channel material and on the band offsets. The factors that determine the conduction and valence band offsets for a given material system are not well understood. Predictions based on various models have historically been unreliable and band offset values must be determined experimentally. This paper provides experimental band offset values for a number of gate dielectrics on IGZO for next generation TFTs. The relationship between band offset and interface quality, as demonstrated experimentally and by previously reported results, is also explained. The literature shows significant variations in reported band offsets and the reasons for these differences are evaluated. The biggest contributor to conduction band offsets is the variation in the bandgap of the dielectrics due to differences in measurement protocols and stoichiometry resulting from different deposition methods, chemistry, and contamination. We have investigated the influence of valence band offset values of strain, defects/vacancies, stoichiometry, chemical bonding, and contamination on IGZO/dielectric heterojunctions. These measurements provide data needed to further develop a predictive theory of band offsets.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Heo, Sung; College of Information and Communication Engineering, Sungkyunkwan University, Cheoncheon-dong 300, Jangan-gu, Suwon 440-746; Lee, Hyung-Ik
2015-06-29
To investigate the band gap profile of Cu(In{sub 1−x},Ga{sub x})(Se{sub 1−y}S{sub y}){sub 2} of various compositions, we measured the band gap profile directly as a function of in-depth using high-resolution reflection energy loss spectroscopy (HR-REELS), which was compared with the band gap profile calculated based on the auger depth profile. The band gap profile is a double-graded band gap as a function of in-depth. The calculated band gap obtained from the auger depth profile seems to be larger than that by HR-REELS. Calculated band gaps are to measure the average band gap of the spatially different varying compositions with respectmore » to considering its void fraction. But, the results obtained using HR-REELS are to be affected by the low band gap (i.e., out of void) rather than large one (i.e., near void). Our findings suggest an analytical method to directly determine the band gap profile as function of in-depth.« less
Band head spin assignment of superdeformed bands in Hg isotopes through power index formula
NASA Astrophysics Data System (ADS)
Sharma, Honey; Mittal, H. M.
2018-05-01
The power index formula has been used to obtain the band head spin (I 0) of all the superdeformed (SD) bands in Hg isotopes. A least squares fitting approach is used. The root mean square deviations between the determined and the observed transition energies are calculated by extracting the model parameters using the power index formula. Whenever definite spins are available, the determined and the observed transition energies are in accordance with each other. The computed values of dynamic moment of inertia J (2) obtained by using the power index formula and its deviation with the rotational frequency is also studied. Excellent agreement is shown between the calculated and the experimental results for J (2) versus the rotational frequency. Hence, the power index formula works very well for all the SD bands in Hg isotopes expect for 195Hg(2, 3, 4).
NASA Astrophysics Data System (ADS)
Li, Fengmiao; Sawatzky, George A.
2018-06-01
The recent observation of replica bands in single-layer FeSe /SrTiO3 by angle-resolved photoemission spectroscopy (ARPES) has triggered intense discussions concerning the potential influence of the FeSe electrons coupling with substrate phonons on the superconducting transition temperature. Here we provide strong evidence that the replica bands observed in the single-layer FeSe /SrTiO3 system and several other cases are largely due to the energy loss processes of the escaping photoelectron, resulted from the well-known strong coupling of external propagating electrons to Fuchs-Kliewer surface phonons in ionic materials in general. The photoelectron energy loss in ARPES on single-layer FeSe /SrTiO3 is calculated using the demonstrated successful semiclassical dielectric theory in describing low energy electron energy loss spectroscopy of ionic insulators. Our result shows that the observed replica bands are mostly a result of extrinsic photoelectron energy loss and not a result of the electron phonon interaction of the Fe d electrons with the substrate phonons. The strong enhancement of the superconducting transition temperature in these monolayers remains an open question.
NASA Astrophysics Data System (ADS)
Chubukov, Andrey V.; Eremin, Ilya; Efremov, Dmitri V.
2016-05-01
We analyze the interplay between superconductivity and the formation of bound pairs of fermions (BCS-BEC crossover) in a 2D model of interacting fermions with small Fermi energy EF and weak attractive interaction, which extends to energies well above EF. The 2D case is special because a two-particle bound state forms at arbitrary weak interaction, and already at weak coupling, one has to distinguish between the bound-state formation and superconductivity. We briefly review the situation in the one-band model and then consider two different two-band models: one with one hole band and one electron band and another with two hole or two electron bands. In each case, we obtain the bound-state energy 2 E0 for two fermions in a vacuum and solve the set of coupled equations for the pairing gaps and the chemical potentials to obtain the onset temperature of the pairing Tins and the quasiparticle dispersion at T =0 . We then compute the superfluid stiffness ρs(T =0 ) and obtain the actual Tc. For definiteness, we set EF in one band to be near zero and consider different ratios of E0 and EF in the other band. We show that at EF≫E0 , the behavior of both two-band models is BCS-like in the sense that Tc≈Tins≪EF and Δ ˜Tc . At EF≪E0 , the two models behave differently: in the model with two hole/two electron bands, Tins˜E0/lnE/0EF , Δ ˜(E0EF) 1 /2 , and Tc˜EF , like in the one-band model. In between Tins and Tc, the system displays a preformed pair behavior. In the model with one hole and one electron bands, Tc remains of order Tins, and both remain finite at EF=0 and of the order of E0. The preformed pair behavior still does exist in this model because Tc is numerically smaller than Tins. For both models, we reexpress Tins in terms of the fully renormalized two-particle scattering amplitude by extending to the two-band case (the method pioneered by Gorkov and Melik-Barkhudarov back in 1961). We apply our results for the model with a hole and an electron band to
Novel solution of power law for γ-bands
NASA Astrophysics Data System (ADS)
Gupta, J. B.
The power law expression E = aIb offers a single-term formula with just two parameters for expressing the level energies in the spectra of even-Z even-N nuclei. Its application to ground band spectra for a wide range of nuclei has been demonstrated in our earlier works. Here, we extend its application to the rotational bands built on an excited state of K = 2 γ-vibration band and Kπ = 0 2+ beta band. A novel assumption of a virtual level with spin zero for γ-bands is made and its validity and use is illustrated. Here, the constancy of the parameters “b” and “a” with spin, offers a more realistic view of the dependence of the nuclear core deformation on spin, in the excited bands. Also, it enables a spinwise view, not available in the other energy fit expressions.
Asymmetry induces Q-band split in the electronic excitations of magnesium porphyrin
NASA Astrophysics Data System (ADS)
Jiang, Xiankai; Gao, Yi; Lal, Ratnesh; Hu, Jun; Song, Bo
2018-07-01
The electronic excitations of magnesium porphyrin (MgP), a molecular model for understanding the physics in light harvesting by biological systems, have been studied extensively. However, the theoretical underpinning of experimental measurements is still lacking, especially about the sub-bands in absorption spectrum. Here we propose that an asymmetry of MgP based on the uneven charge distribution of pyrrole rings and the linear structure of sp hybridised orbitals in Mg can largely influence the electronic excitations. Upon a very weak asymmetry of Mg-pyrrole bindings in MgP being introduced through the uneven distribution of charge, three different excitations are observed in the Q-band region of the experimental spectrum. Additionally, the predicted B-band excitations are highly correlated (10-2 eV level) with experimental measurements. In contrast, without this asymmetry, there are only two degenerate excitations in the Q-band region, and low agreement (10-1 eV level) of the B-band excitations with the experiment. The key physics of the unexpected and observable asymmetry in MgP is the ability of Mg to form sp hybridised orbitals on the third shell upon Mg binding to the nitrogen of pyrrole ring. Our findings provide new insight for high-energy efficiency of natural as well as artificial light-harvesting system for energy challenge.
Twisted bilayer blue phosphorene: A direct band gap semiconductor
NASA Astrophysics Data System (ADS)
Ospina, D. A.; Duque, C. A.; Correa, J. D.; Suárez Morell, Eric
2016-09-01
We report that two rotated layers of blue phosphorene behave as a direct band gap semiconductor. The optical spectrum shows absorption peaks in the visible region of the spectrum and in addition the energy of these peaks can be tuned with the rotational angle. These findings makes twisted bilayer blue phosphorene a strong candidate as a solar cell or photodetection device. Our results are based on ab initio calculations of several rotated blue phosphorene layers.
NiO: correlated band structure of a charge-transfer insulator.
Kunes, J; Anisimov, V I; Skornyakov, S L; Lukoyanov, A V; Vollhardt, D
2007-10-12
The band structure of the prototypical charge-transfer insulator NiO is computed by using a combination of an ab initio band structure method and the dynamical mean-field theory with a quantum Monte-Carlo impurity solver. Employing a Hamiltonian which includes both Ni d and O p orbitals we find excellent agreement with the energy bands determined from angle-resolved photoemission spectroscopy. This brings an important progress in a long-standing problem of solid-state theory. Most notably we obtain the low-energy Zhang-Rice bands with strongly k-dependent orbital character discussed previously in the context of low-energy model theories.
The localized effect of the Bi level on the valence band in the dilute bismuth GaBixAs1-x alloy
NASA Astrophysics Data System (ADS)
Zhao, Chuan-Zhen; Zhu, Min-Min; Wang, Jun; Wang, Sha-Sha; Lu, Ke-Qing
2018-05-01
The research on the temperature dependence of the band gap energy of the dilute bismuth GaBixAs1-x alloy has been done. It is found that its temperature insensitiveness is due to the enhanced localized character of the valence band state and the small decrease of the temperature coefficient for the conduction band minimum (CBM). The enhanced localized character of the valence band state is the main factor. In order to describe the localized effect of the Bi levels on the valence band, the localized energy is introduced into the Varshni's equation. It is found that the effect of the localized Bi level on the valence band becomes strong with increasing Bi content. In addition, it is found that the pressure dependence of the band gap energy of GaBixAs1-x does not seem to be influenced by the localized Bi levels. It is due to two factors. One is that the pressure dependence of the band gap energy is mainly determined by the D CBM of GaBixAs1-x. The D CBM of GaBixAs1-x is not influenced by the localized Bi levels. The other is that the small variation of the pressure coefficient for the D valence band maximum (VBM) state of GaBixAs1-x can be cancelled by the variation of the pressure coefficient for the D CBM state of GaBixAs1-x.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ge, Hao; Tian, Hui; Song, Hua
2015-01-15
Highlights: • Spinel Li{sub 4}Ti{sub 5}O{sub 12} possesses more positive potential of valence band and wider band gap than TiO{sub 2}. • Spinel Li{sub 4}Ti{sub 5}O{sub 12} displays typical n-type semiconductor characteristic and excellent UV-excitateded photocatalysis activity. • Our preliminary study will open new perspectives in investigation of other lithium-based compounds for new photocatalysts. - Abstract: Energy band structure, photoelectrochemical performances and photocatalysis activity of spinel Li{sub 4}Ti{sub 5}O{sub 12} are investigated for the first time in this paper. Li{sub 4}Ti{sub 5}O{sub 12} possesses more positive valence band potential and wider band gap than TiO{sub 2} due to its valencemore » band consisting of Li{sub 1s} and Ti{sub 3d} orbitals mixed with O{sub 2p}. Li{sub 4}Ti{sub 5}O{sub 12} shows typical photocatalysis material characteristics and excellent photocatlytic activity under UV irradiation.« less
Chemical trends of the luminescence in wide band gap II 1-xMn xVI semimagnetic semiconductors
NASA Astrophysics Data System (ADS)
Benecke, C.; Busse, W.; Gumlich, H.-E.
1990-04-01
Time resolved emission and excitation spectroscopy is used to investigate the Mn correlated luminescence in wide band gap II-VI compounds, i.e. Zn 1-xMn xS, Cd 1-xMn xSe, Zn 1-xMn xTe and Cd 1-xMn xTe. Additional Information has been obtained with CdxZnyMnzTe( x+ y+ z=1) in checking the luminescence by variation of the ratio of the cations Cd and Zn. Generally speaking, at least two distinct emissions bands can be observed for each II 1- xMn xVI compound. One emissions band is attributed to the internal transition 4T 1(G)→ 6A 1(S) of the 3d 5 electron of the Mn 2+ on regular metal sites with energies of about ≈2 eV. The other emission band is found to occur in the near infrared range of about ≈1.3 eV. This emission band is tentatively interpreted as a transition of Mn 2+ ions on interstitial sites or in small Mn chalcogenide clusters, both interpretations assuming cubic symmetry. This model is supported by the existence of low energy excitation bands and by the great similarity of the shape of the two emission bands which lead to comparable Huang-Rhys factors and effective phonon energies. Also the established trend in the experimental data of the II-VI compounds under consideration confirm this interpretation. For both the IR and the yellow Mn 2+ center, the Racah parameters B and C and the crystal field parameter Dq are determined on the basis of experimental data. As a result, the energy of both the emission and the excitation bands is predominantly determined by the sorrounding anions. These bands shift to higher energies when the anions are changed in the fixed order: Te→Se→S. Regularly, there is also a spectral shift when Zn is replaced by Cd, which is smaller than the shift due to the variation of onions.
Xu, Jucai; Sun-Waterhouse, Dongxiao; Qiu, Chaoying; Zhao, Mouming; Sun, Baoguo; Lin, Lianzhu; Su, Guowan
2017-10-27
The need to improve the peak capacity of liquid chromatography motivates the development of two-dimensional analysis systems. This paper presented a fully automated stop-flow two-dimensional liquid chromatography system with size exclusion chromatography followed by reversed phase liquid chromatography (SEC×RPLC) to efficiently separate peptides. The effects of different stop-flow operational parameters (stop-flow time, peak parking position, number of stop-flow periods and column temperature) on band broadening in the first dimension (1 st D) SEC column were quantitatively evaluated by using commercial small proteins and peptides. Results showed that the effects of peak parking position and the number of stop-flow periods on band broadening were relatively small. Unlike stop-flow analysis of large molecules with a long running time, additional band broadening was evidently observed for small molecule analytes due to the relatively high effective diffusion coefficient (D eff ). Therefore, shorter analysis time and lower 1 st D column temperature were suggested for analyzing small molecules. The stop-flow two-dimensional liquid chromatography (2D-LC) system was further tested on peanut peptides and an evidently improved resolution was observed for both stop-flow heart-cutting and comprehensive 2D-LC analysis (in spite of additional band broadening in SEC). The stop-flow SEC×RPLC, especially heart-cutting analysis with shorter analysis time and higher 1 st D resolution for selected fractions, offers a promising approach for efficient analysis of complex samples. Copyright © 2017 Elsevier B.V. All rights reserved.
Efficient Band-to-Trap Tunneling Model Including Heterojunction Band Offset
DOE Office of Scientific and Technical Information (OSTI.GOV)
Gao, Xujiao; Huang, Andy; Kerr, Bert
In this paper, we present an efficient band-to-trap tunneling model based on the Schenk approach, in which an analytic density-of-states (DOS) model is developed based on the open boundary scattering method. The new model explicitly includes the effect of heterojunction band offset, in addition to the well-known field effect. Its analytic form enables straightforward implementation into TCAD device simulators. It is applicable to all one-dimensional potentials, which can be approximated to a good degree such that the approximated potentials lead to piecewise analytic wave functions with open boundary conditions. The model allows for simulating both the electric-field-enhanced and band-offset-enhanced carriermore » recombination due to the band-to-trap tunneling near the heterojunction in a heterojunction bipolar transistor (HBT). Simulation results of an InGaP/GaAs/GaAs NPN HBT show that the proposed model predicts significantly increased base currents, due to the hole-to-trap tunneling enhanced by the emitter-base junction band offset. Finally, the results compare favorably with experimental observation.« less
Efficient Band-to-Trap Tunneling Model Including Heterojunction Band Offset
Gao, Xujiao; Huang, Andy; Kerr, Bert
2017-10-25
In this paper, we present an efficient band-to-trap tunneling model based on the Schenk approach, in which an analytic density-of-states (DOS) model is developed based on the open boundary scattering method. The new model explicitly includes the effect of heterojunction band offset, in addition to the well-known field effect. Its analytic form enables straightforward implementation into TCAD device simulators. It is applicable to all one-dimensional potentials, which can be approximated to a good degree such that the approximated potentials lead to piecewise analytic wave functions with open boundary conditions. The model allows for simulating both the electric-field-enhanced and band-offset-enhanced carriermore » recombination due to the band-to-trap tunneling near the heterojunction in a heterojunction bipolar transistor (HBT). Simulation results of an InGaP/GaAs/GaAs NPN HBT show that the proposed model predicts significantly increased base currents, due to the hole-to-trap tunneling enhanced by the emitter-base junction band offset. Finally, the results compare favorably with experimental observation.« less
Table of superdeformed nuclear bands and fission isomers
DOE Office of Scientific and Technical Information (OSTI.GOV)
Firestone, R.B.; Singh, B.
A minimum in the second potential well of deformed nuclei was predicted and the associated shell gaps are illustrated in the harmonic oscillator potential shell energy surface calculations shown in this report. A strong superdeformed minimum in {sup 152}Dy was predicted for {beta}{sub 2}-0.65. Subsequently, a discrete set of {gamma}-ray transitions in {sup 152}DY was observed and, assigned to the predicted superdeformed band. Extensive research at several laboratories has since focused on searching for other mass regions of large deformation. A new generation of {gamma}-ray detector arrays is already producing a wealth of information about the mechanisms for feeding andmore » deexciting superdeformed bands. These bands have been found in three distinct regions near A=l30, 150, and 190. This research extends upon previous work in the actinide region near A=240 where fission isomers were identified and also associated with the second potential well. Quadrupole moment measurements for selected cases in each mass region are consistent with assigning the bands to excitations in the second local minimum. As part of our committment to maintain nuclear structure data as current as possible in the Evaluated Nuclear Structure Reference File (ENSDF) and the Table of Isotopes, we have updated the information on superdeformed nuclear bands. As of April 1994, we have complied data from 86 superdeformed bands and 46 fission isomers identified in 73 nuclides for this report. For each nuclide there is a complete level table listing both normal and superdeformed band assignments; level energy, spin, parity, half-life, magneto moments, decay branchings; and the energies, final levels, relative intensities, multipolarities, and mixing ratios for transitions deexciting each level. Mass excess, decay energies, and proton and neutron separation energies are also provided from the evaluation of Audi and Wapstra.« less
Size Reduction of Hamiltonian Matrix for Large-Scale Energy Band Calculations Using Plane Wave Bases
NASA Astrophysics Data System (ADS)
Morifuji, Masato
2018-01-01
We present a method of reducing the size of a Hamiltonian matrix used in calculations of electronic states. In the electronic states calculations using plane wave basis functions, a large number of plane waves are often required to obtain precise results. Even using state-of-the-art techniques, the Hamiltonian matrix often becomes very large. The large computational time and memory necessary for diagonalization limit the widespread use of band calculations. We show a procedure of deriving a reduced Hamiltonian constructed using a small number of low-energy bases by renormalizing high-energy bases. We demonstrate numerically that the significant speedup of eigenstates evaluation is achieved without losing accuracy.
Band structure effects in the energy loss of low-energy protons and deuterons in thin films of Pt
NASA Astrophysics Data System (ADS)
Celedón, C. E.; Sánchez, E. A.; Salazar Alarcón, L.; Guimpel, J.; Cortés, A.; Vargas, P.; Arista, N. R.
2015-10-01
We have investigated experimentally and by computer simulations the energy-loss and angular distribution of low energy (E < 10 keV) protons and deuterons transmitted through thin polycrystalline platinum films. The experimental results show significant deviations from the expected velocity dependence of the stopping power in the range of very low energies with respect to the predictions of the Density Functional Theory for a jellium model. This behavior is similar to those observed in other transition metals such as Cu, Ag and Au, but different from the linear dependence recently observed in another transition metal, Pd, which belongs to the same Group of Pt in the Periodic Table. These differences are analyzed in term of the properties of the electronic bands corresponding to Pt and Pd, represented in terms of the corresponding density of states. The present experiments include also a detailed study of the angular dependence of the energy loss and the angular distributions of transmitted protons and deuterons. The results are compared with computer simulations based on the Monte Carlo method and with a theoretical model that evaluates the contributions of elastic collisions, path length effects in the inelastic energy losses, and the effects of the foil roughness. The results of the analysis obtained from these various approaches provide a consistent and comprehensive description of the experimental findings.
Spectromicroscopy measurements of surface morphology and band structure of exfoliated graphene
NASA Astrophysics Data System (ADS)
Knox, Kevin; Locatelli, Andrea; Cvetko, Dean; Mentes, Tevfik; Nino, Miguel; Wang, Shancai; Yilmaz, Mehmet; Kim, Philip; Osgood, Richard; Morgante, Alberto
2011-03-01
Monolayer-thick crystals, such as graphene, are an area of intense interest in condensed matter research. ~However, crystal deformations in these 2D systems are known to adversely affect conductivity and increase local chemical reactivity. Additionally, surface roughness in graphene complicates band-mapping and limits resolution in techniques such as angle resolved photoemission spectroscopy (ARPES), the theory of which was developed for atomically flat surfaces. Thus, an understanding of the surface morphology of graphene is essential to making high quality devices and important for interpreting ARPES results. In this talk, we will describe a non-invasive approach to examining the corrugation in exfoliated graphene using a combination of low energy electron microscopy (LEEM) and micro-spot low energy electron diffraction (LEED). We will also describe how such knowledge of surface roughness can be used in the analysis of ARPES data to improve resolution and extract useful information about the band-structure.
High-energy variability of the Pulsar binary PSR J1311-3430
NASA Astrophysics Data System (ADS)
An, Hongjun; Fermi-LAT Collaboration
2018-01-01
We present analysis results of high-energy observations of the extreme mass-ratio black-widow millisecond pulsar binary PSR J1311-3430. Our studies in the UV, X-ray, and gamma-ray bands confirm the orbital modulation in the gamma-ray band as suggested previously. In addition, we find that the modulation is stronger in the high-energy band. In the lower-energy UV and X-ray bands, we detect flares which were observed previously and attributed to magnetic activities. We find that the optical flares are associated with the X-ray flares, suggesting common origin. We explore possible connections of the variabilities with the intrabinary shock (IBS) and magnetic activity on the low mass companion.
Nanoscale measurements of unoccupied band dispersion in few-layer graphene.
Jobst, Johannes; Kautz, Jaap; Geelen, Daniël; Tromp, Rudolf M; van der Molen, Sense Jan
2015-11-26
The properties of any material are fundamentally determined by its electronic band structure. Each band represents a series of allowed states inside a material, relating electron energy and momentum. The occupied bands, that is, the filled electron states below the Fermi level, can be routinely measured. However, it is remarkably difficult to characterize the empty part of the band structure experimentally. Here, we present direct measurements of unoccupied bands of monolayer, bilayer and trilayer graphene. To obtain these, we introduce a technique based on low-energy electron microscopy. It relies on the dependence of the electron reflectivity on incidence angle and energy and has a spatial resolution ∼10 nm. The method can be easily applied to other nanomaterials such as van der Waals structures that are available in small crystals only.
Nanoscale measurements of unoccupied band dispersion in few-layer graphene
Jobst, Johannes; Kautz, Jaap; Geelen, Daniël; Tromp, Rudolf M.; van der Molen, Sense Jan
2015-01-01
The properties of any material are fundamentally determined by its electronic band structure. Each band represents a series of allowed states inside a material, relating electron energy and momentum. The occupied bands, that is, the filled electron states below the Fermi level, can be routinely measured. However, it is remarkably difficult to characterize the empty part of the band structure experimentally. Here, we present direct measurements of unoccupied bands of monolayer, bilayer and trilayer graphene. To obtain these, we introduce a technique based on low-energy electron microscopy. It relies on the dependence of the electron reflectivity on incidence angle and energy and has a spatial resolution ∼10 nm. The method can be easily applied to other nanomaterials such as van der Waals structures that are available in small crystals only. PMID:26608712
NASA Astrophysics Data System (ADS)
Cho, Gookbin; Kim, Jungho
2017-09-01
We theoretically investigate the effect of conduction band non-parabolicity (NPB) on the optical gain spectrum of quantum cascade lasers (QCLs) using the effective two-band finite difference method. Based on the effective two-band model to consider the NPB effect in the multiple quantum wells (QWs), the wave functions and confined energies of electron states are calculated in two different active-region structures, which correspond to three-QW single-phonon and four-QW double-phonon resonance designs. In addition, intersubband optical dipole moments and polar-optical-phonon scattering times are calculated and compared without and with the conduction band NPB effect. Finally, the calculation results of optical gain spectra are compared in the two QCL structures having the same peak gain wavelength of 8.55 μm. The gain peaks are greatly shifted to longer wavelengths and the overall gain magnitudes are slightly reduced when the NPB effect is considered. Compared with the three-QW active-region design, the redshift of the peak gain is more prominent in the four-QW active-region design, which makes use of higher electronic states for the lasing transition.
Intermediate band solar cell with extreme broadband spectrum quantum efficiency.
Datas, A; López, E; Ramiro, I; Antolín, E; Martí, A; Luque, A; Tamaki, R; Shoji, Y; Sogabe, T; Okada, Y
2015-04-17
We report, for the first time, about an intermediate band solar cell implemented with InAs/AlGaAs quantum dots whose photoresponse expands from 250 to ∼6000 nm. To our knowledge, this is the broadest quantum efficiency reported to date for a solar cell and demonstrates that the intermediate band solar cell is capable of producing photocurrent when illuminated with photons whose energy equals the energy of the lowest band gap. We show experimental evidence indicating that this result is in agreement with the theory of the intermediate band solar cell, according to which the generation recombination between the intermediate band and the valence band makes this photocurrent detectable.
Band Gap Engineering of Titania Systems Purposed for Photocatalytic Activity
NASA Astrophysics Data System (ADS)
Thurston, Cameron
Ab initio computer aided design drastically increases candidate population for highly specified material discovery and selection. These simulations, carried out through a first-principles computational approach, accurately extrapolate material properties and behavior. Titanium Dioxide (TiO2 ) is one such material that stands to gain a great deal from the use of these simulations. In its anatase form, titania (TiO2 ) has been found to exhibit a band gap nearing 3.2 eV. If titania is to become a viable alternative to other contemporary photoactive materials exhibiting band gaps better suited for the solar spectrum, then the band gap must be subsequently reduced. To lower the energy needed for electronic excitation, both transition metals and non-metals have been extensively researched and are currently viable candidates for the continued reduction of titania's band gap. The introduction of multicomponent atomic doping introduces new energy bands which tend to both reduce the band gap and recombination loss. Ta-N, Nb-N, V-N, Cr-N, Mo-N, and W-N substitutions were studied in titania and subsequent energy and band gap calculations show a favorable band gap reduction in the case of passivated systems.
Knauf, Philip A; Law, Foon-Yee; Leung, Tze-Wah Vivian; Atherton, Stephen J
2004-09-28
Previous fluorescence resonance energy transfer (FRET) measurements, using BIDS (4-benzamido-4'-isothiocyanostilbene-2,2'-disulfonate) as a label for the disulfonic stilbene site and FM (fluorescein-5-maleimide) as a label for the cytoplasmic SH groups on band 3 (AE1), combined with data showing that the cytoplasmic SH groups lie about 40 A from the cytoplasmic surface of the lipid bilayer, would place the BIDS sites very near the membrane's inner surface, a location that seems to be inconsistent with current models of AE1 structure and mechanism. We reinvestigated the BIDS-FM distance, using laser single photon counting techniques as well as steady-state fluorescence of AE1, in its native membrane environment. Both techniques agree that there is very little energy transfer from BIDS to FM. The mean energy transfer (E), based on three-exponential fits to the fluorescence decay data, is 2.5 +/- 0.7% (SEM, N = 12). Steady-state fluorescence measurements also indicate <3% energy transfer from BIDS to FM. These data indicate that the BIDS sites are probably over 63 A from the cytoplasmic SH groups, placing them near the middle or the external half of the lipid bilayer. This relocation of the BIDS sites fits with other evidence that the disulfonic stilbene sites are located farther toward the external membrane surface than Glu-681, a residue near the inner membrane surface whose modification affects the pH dependence and anion selectivity of band 3. The involvement of two relatively distant parts of the AE1 protein in transport function suggests that the transport mechanism requires coordinated large-scale conformational changes in the band 3 protein.
NASA Astrophysics Data System (ADS)
Chen, Chun-Nan; Luo, Win-Jet; Shyu, Feng-Lin; Chung, Hsien-Ching; Lin, Chiun-Yan; Wu, Jhao-Ying
2018-01-01
Using a non-equilibrium Green’s function framework in combination with the complex energy-band method, an atomistic full-quantum model for solving quantum transport problems for a zigzag-edge graphene nanoribbon (zGNR) structure is proposed. For transport calculations, the mathematical expressions from the theory for zGNR-based device structures are derived in detail. The transport properties of zGNR-based devices are calculated and studied in detail using the proposed method.
Obituary: David L. Band (1957-2009)
NASA Astrophysics Data System (ADS)
Cominsky, Lynn
2011-12-01
two new follow-up missions to CGRO, the Swift and Fermi observatories, Band seized an opportunity in 2001 to join the staff of the Fermi Science Support Center at the NASA Goddard Space Flight Center in Greenbelt Maryland. He was hired as the lead scientist for user support functions and to help to define and implement planning for the 2008 launch of the Fermi spacecraft. He brought a high level of energy and enthusiasm to the job, becoming in many ways the heart and soul of that organization. Neil Gehrels, the Goddard Astroparticle Physics Division Director and a Fermi deputy project scientist notes that "David was the perfect person for community support, with this outgoing personality and deep knowledge of astrophysics." Band also became an important member of the Fermi science team; despite his failing health, he actively contributed to the first Fermi gamma-ray burst publication as well as making important contributions to the burst detection and data analysis techniques. Additionally, Band was known as a great communicator and mentor. He supervised a PhD student at UCSD who has subsequently been appointed to a faculty position. At Goddard, Band was an integral part of the weekly scientific discussion groups within the gamma-ray astronomy group and he would always find the time to share his knowledge and expertise with new postdoctoral fellows and senior scientists alike. He was also involved with planning the EXIST mission, a candidate for a future NASA mission. He will be greatly missed by his many friends and colleagues within the Fermi mission and the high-energy astrophysics community.
The effect of carbon nanotubes functionalization on the band-gap energy of TiO2-CNT nanocomposite
NASA Astrophysics Data System (ADS)
Shahbazi, Hessam; Shafei, Alireza; Sheibani, Saeed
2018-01-01
In this paper the morphology and structure of TiO2-CNT nanocomposite powder obtained by an in situ sol-gel process were investigated. The synthesized nanocomposite powders were characterized by X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM) and diffuse reflectance spectroscopy (DRS). The effect of functionalizing of CNT on the properties was studied. XRD results showed amorphous structure before calcination. Also, anatase phase TiO2 was formed after calcination at 400 °C. The SEM results indicate different distributions of TiO2 on CNTs. As a result, well dispersed TiO2 microstructure on the surface of CNTs was observed after functionalizing, while compact and large aggregated particles were found without functionalizing. The average thickness of uniform and well-defined coated TiO2 layer was in the range of 30-40 nm. The DRS results have determined the reflective properties and band gap energies of nanocomposite powders and have shown that functionalizing of CNTs caused the change of band-gap energy from 2.98 to 2.87 eV.
NASA Astrophysics Data System (ADS)
Bakir, Mehmet; Karaaslan, Muharrem; Dincer, Furkan; Delihacioglu, Kemal; Sabah, Cumali
2015-09-01
An electromagnetic (EM) energy harvesting application based on metamaterials is introduced. This application is operating at the the industrial, scientific, and medical band (2.40 GHz), which is especially chosen because of its wide usage area. A square ring resonator (SRR) which has two gaps and two resistors across the gaps on it is used. Chip resistors are used to deliver the power to any active component that requires power. Transmission and reflection characteristics of the metamaterial absorber for energy harvesting application are theoretically investigated and 83.6% efficient energy harvesting application is realized. To prove that this study can be used for different sensor applications other than harvesting, a temperature sensor configuration is developed that can be applied to other sensing applications.
48 CFR 204.470 - U.S.-International Atomic Energy Agency Additional Protocol.
Code of Federal Regulations, 2010 CFR
2010-10-01
... 48 Federal Acquisition Regulations System 3 2010-10-01 2010-10-01 false U.S.-International Atomic Energy Agency Additional Protocol. 204.470 Section 204.470 Federal Acquisition Regulations System DEFENSE... Information Within Industry 204.470 U.S.-International Atomic Energy Agency Additional Protocol. ...
48 CFR 204.470 - U.S.-International Atomic Energy Agency Additional Protocol.
Code of Federal Regulations, 2011 CFR
2011-10-01
... 48 Federal Acquisition Regulations System 3 2011-10-01 2011-10-01 false U.S.-International Atomic Energy Agency Additional Protocol. 204.470 Section 204.470 Federal Acquisition Regulations System DEFENSE... Information Within Industry 204.470 U.S.-International Atomic Energy Agency Additional Protocol. ...
48 CFR 204.470 - U.S.-International Atomic Energy Agency Additional Protocol.
Code of Federal Regulations, 2012 CFR
2012-10-01
... 48 Federal Acquisition Regulations System 3 2012-10-01 2012-10-01 false U.S.-International Atomic Energy Agency Additional Protocol. 204.470 Section 204.470 Federal Acquisition Regulations System DEFENSE... Information Within Industry 204.470 U.S.-International Atomic Energy Agency Additional Protocol. ...
48 CFR 204.470 - U.S.-International Atomic Energy Agency Additional Protocol.
Code of Federal Regulations, 2014 CFR
2014-10-01
... 48 Federal Acquisition Regulations System 3 2014-10-01 2014-10-01 false U.S.-International Atomic Energy Agency Additional Protocol. 204.470 Section 204.470 Federal Acquisition Regulations System DEFENSE... Information Within Industry 204.470 U.S.-International Atomic Energy Agency Additional Protocol. ...
48 CFR 204.470 - U.S.-International Atomic Energy Agency Additional Protocol.
Code of Federal Regulations, 2013 CFR
2013-10-01
... 48 Federal Acquisition Regulations System 3 2013-10-01 2013-10-01 false U.S.-International Atomic Energy Agency Additional Protocol. 204.470 Section 204.470 Federal Acquisition Regulations System DEFENSE... Information Within Industry 204.470 U.S.-International Atomic Energy Agency Additional Protocol. ...
New insights into the opening band gap of graphene oxides
NASA Astrophysics Data System (ADS)
Tran, Ngoc Thanh Thuy; Lin, Shih-Yang; Lin, Ming-Fa
Electronic properties of oxygen absorbed few-layer graphenes are investigated using first-principle calculations. They are very sensitive to the changes in the oxygen concentration, number of graphene layer, and stacking configuration. The feature-rich band structures exhibit the destruction or distortion of the Dirac cone, opening of band gap, anisotropic energy dispersions, O- and (C,O)-dominated energy dispersions, and extra critical points. The band decomposed charge distributions reveal the π-bonding dominated energy gap. The orbital-projected density of states (DOS) have many special structures mainly coming from a composite energy band, the parabolic and partially flat ones. The DOS and spatial charge distributions clearly indicate the critical orbital hybridizations in O-O, C-O and C-C bonds, being responsible for the diversified properties. All of the few-layer graphene oxides are semi-metals except for the semiconducting monolayer ones.
Energy band gap and spectroscopic studies in Mn{sub 1-x}Cu{sub x}WO{sub 4} (0 ≤ x ≤ 0.125)
DOE Office of Scientific and Technical Information (OSTI.GOV)
Mal, Priyanath; Rambabu, P.; Turpu, G. R.
2016-05-06
A study on the effect of nonmagnetic Cu{sup 2+} substitution at Mn{sup 2+} site on the structural and energy band gap of the MnWO{sub 4} is reported. Convenient solid state reaction route has been adopted for the synthesis of Mn{sub 1-x}Cu{sub x}WO{sub 4}. X-ray diffraction (XRD) pattern showed high crystalline quality of the prepared samples. Raman spectroscopic studies were carried out to understand the structural aspects of the doping. 15 Raman active modes were identified out of 18, predicted for wolframite type monoclinic structure of MnWO{sub 4}. UV-visible diffuse reflectance spectra were recorded and analyzed to get energy band gapmore » of the studied system and are found in the range of 2.5 eV to 2.04 eV with a systematic decrease with the increase in Cu{sup 2+} concentration. Energy band gap values are verified by Density Functional Theory calculations based on projector augmented wave (PAW) method. The calculated values are in good agreement with the experimental data.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Webster, P. T.; Riordan, N. A.; Liu, S.
2015-12-28
The structural and optical properties of lattice-matched InAs{sub 0.911}Sb{sub 0.089} bulk layers and strain-balanced InAs/InAs{sub 1−x}Sb{sub x} (x ∼ 0.1–0.4) superlattices grown on (100)-oriented GaSb substrates by molecular beam epitaxy are examined using X-ray diffraction, spectroscopic ellipsometry, and temperature dependent photoluminescence spectroscopy. The photoluminescence and ellipsometry measurements determine the ground state bandgap energy and the X-ray diffraction measurements determine the layer thickness and mole fraction of the structures studied. Detailed modeling of the X-ray diffraction data is employed to quantify unintentional incorporation of approximately 1% Sb into the InAs layers of the superlattices. A Kronig-Penney model of the superlattice miniband structure ismore » used to analyze the valence band offset between InAs and InAsSb, and hence the InAsSb band edge positions at each mole fraction. The resulting composition dependence of the bandgap energy and band edge positions of InAsSb are described using the bandgap bowing model; the respective low and room temperature bowing parameters for bulk InAsSb are 938 and 750 meV for the bandgap, 558 and 383 meV for the conduction band, and −380 and −367 meV for the valence band.« less
NASA Astrophysics Data System (ADS)
Zou, Luyao; Widicus Weaver, Susanna L.
2016-06-01
Three new weak bands of the Ar-H2O vibration-rotation-tunneling spectrum have been measured in the millimeter wavelength range. These bands were predicted from combination differences based on previously measured bands in the submillimeter region. Two previously reported submillimeter bands were also remeasured with higher frequency resolution. These new measurements allow us to obtain accurate information on the Coriolis interaction between the 101 and 110 states. Here we report these results and the associated improved molecular constants.
Computational Design of Flat-Band Material.
Hase, I; Yanagisawa, T; Kawashima, K
2018-02-26
Quantum mechanics states that hopping integral between local orbitals makes the energy band dispersive. However, in some special cases, there are bands with no dispersion due to quantum interference. These bands are called as flat band. Many models having flat band have been proposed, and many interesting physical properties are predicted. However, no real compound having flat band has been found yet despite the 25 years of vigorous researches. We have found that some pyrochlore oxides have quasi-flat band just below the Fermi level by first principles calculation. Moreover, their valence bands are well described by a tight-binding model of pyrochlore lattice with isotropic nearest neighbor hopping integral. This model belongs to a class of Mielke model, whose ground state is known to be ferromagnetic with appropriate carrier doping and on-site repulsive Coulomb interaction. We have also performed a spin-polarized band calculation for the hole-doped system from first principles and found that the ground state is ferromagnetic for some doping region. Interestingly, these compounds do not include magnetic element, such as transition metal and rare-earth elements.
Computational Design of Flat-Band Material
NASA Astrophysics Data System (ADS)
Hase, I.; Yanagisawa, T.; Kawashima, K.
2018-02-01
Quantum mechanics states that hopping integral between local orbitals makes the energy band dispersive. However, in some special cases, there are bands with no dispersion due to quantum interference. These bands are called as flat band. Many models having flat band have been proposed, and many interesting physical properties are predicted. However, no real compound having flat band has been found yet despite the 25 years of vigorous researches. We have found that some pyrochlore oxides have quasi-flat band just below the Fermi level by first principles calculation. Moreover, their valence bands are well described by a tight-binding model of pyrochlore lattice with isotropic nearest neighbor hopping integral. This model belongs to a class of Mielke model, whose ground state is known to be ferromagnetic with appropriate carrier doping and on-site repulsive Coulomb interaction. We have also performed a spin-polarized band calculation for the hole-doped system from first principles and found that the ground state is ferromagnetic for some doping region. Interestingly, these compounds do not include magnetic element, such as transition metal and rare-earth elements.
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.
Aytac, Y.; Olson, B. V.; Kim, J. K.; ...
2016-06-01
A set of seven InAs/InAsSb type-II superlattices (T2SLs) were designed to have speci c bandgap energies between 290 meV (4.3 m) and 135 meV (9.2 m) in order to study the e ects of the T2SL bandgap energy on the minority carrier lifetime. A temperature dependent optical pump-probe technique is used to measure the carrier lifetimes, and the e ect of a mid-gap defect level on the carrier recombination dynamics is reported. The Shockley-Read-Hall (SRH) defect state is found to be at energy of approximately -250 12 meV relative to the valence band edge of bulk GaSb for the entiremore » set of T2SL structures, even though the T2SL valence band edge shifts by 155 meV on the same scale. These results indicate that the SRH defect state in InAs/InAsSb T2SLs is singular and is nearly independent of the exact position of the T2SL bandgap or band edge energies. They also suggest the possibility of engineering the T2SL structure such that the SRH state is removed completely from the bandgap, a result that should signi cantly increase the minority carrier lifetime.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Aytac, Y.; Olson, B. V.; Kim, J. K.
A set of seven InAs/InAsSb type-II superlattices (T2SLs) were designed to have speci c bandgap energies between 290 meV (4.3 m) and 135 meV (9.2 m) in order to study the e ects of the T2SL bandgap energy on the minority carrier lifetime. A temperature dependent optical pump-probe technique is used to measure the carrier lifetimes, and the e ect of a mid-gap defect level on the carrier recombination dynamics is reported. The Shockley-Read-Hall (SRH) defect state is found to be at energy of approximately -250 12 meV relative to the valence band edge of bulk GaSb for the entiremore » set of T2SL structures, even though the T2SL valence band edge shifts by 155 meV on the same scale. These results indicate that the SRH defect state in InAs/InAsSb T2SLs is singular and is nearly independent of the exact position of the T2SL bandgap or band edge energies. They also suggest the possibility of engineering the T2SL structure such that the SRH state is removed completely from the bandgap, a result that should signi cantly increase the minority carrier lifetime.« less
Insights on the Cuprate High Energy Anomaly Observed in ARPES
DOE Office of Scientific and Technical Information (OSTI.GOV)
Moritz, Brian
2011-08-16
Recently, angle-resolved photoemission spectroscopy has been used to highlight an anomalously large band renormalization at high binding energies in cuprate superconductors: the high energy 'waterfall' or high energy anomaly (HEA). The anomaly is present for both hole- and electron-doped cuprates as well as the half-filled parent insulators with different energy scales arising on either side of the phase diagram. While photoemission matrix elements clearly play a role in changing the aesthetic appearance of the band dispersion, i.e. creating a 'waterfall'-like appearance, they provide an inadequate description for the physics that underlies the strong band renormalization giving rise to the HEA.more » Model calculations of the single-band Hubbard Hamiltonian showcase the role played by correlations in the formation of the HEA and uncover significant differences in the HEA energy scale for hole- and electron-doped cuprates. In addition, this approach properly captures the transfer of spectral weight accompanying doping in a correlated material and provides a unifying description of the HEA across both sides of the cuprate phase diagram. We find that the anomaly demarcates a transition, or cross-over, from a quasiparticle band at low binding energies near the Fermi level to valence bands at higher binding energy, assumed to be of strong oxygen character.« less
2013-03-08
tions in the studied SLS structures . The fit of the dependence of the valence- band energy of unstrained InAs1!xSbx on the composition x with a... band . STRUCTURES Bulk InAsSb epilayers on metamorphic buffers and InAsSb/InAs strained-layer superlattices (SLS) were grown on GaSb substrates by solid...meV in InAs and Ev = 0 meV in InSb. For InAsSb with 22.5% Sb grown on GaSb , an unstrained valence- band energy of Ev = !457 meV was obtained. For the
Accurate band-to-band registration of AOTF imaging spectrometer using motion detection technology
NASA Astrophysics Data System (ADS)
Zhou, Pengwei; Zhao, Huijie; Jin, Shangzhong; Li, Ningchuan
2016-05-01
This paper concerns the problem of platform vibration induced band-to-band misregistration with acousto-optic imaging spectrometer in spaceborne application. Registrating images of different bands formed at different time or different position is difficult, especially for hyperspectral images form acousto-optic tunable filter (AOTF) imaging spectrometer. In this study, a motion detection method is presented using the polychromatic undiffracted beam of AOTF. The factors affecting motion detect accuracy are analyzed theoretically, and calculations show that optical distortion is an easily overlooked factor to achieve accurate band-to-band registration. Hence, a reflective dual-path optical system has been proposed for the first time, with reduction of distortion and chromatic aberration, indicating the potential of higher registration accuracy. Consequently, a spectra restoration experiment using additional motion detect channel is presented for the first time, which shows the accurate spectral image registration capability of this technique.
NASA Astrophysics Data System (ADS)
Guzzo, M.; Kas, J. J.; Sottile, F.; Silly, M. G.; Sirotti, F.; Rehr, J. J.; Reining, L.
2012-09-01
We present experimental data and theoretical results for valence-band satellites in semiconductors, using the prototypical example of bulk silicon. In a previous publication we introduced a new approach that allows us to describe satellites in valence photoemission spectroscopy, in good agreement with experiment. Here we give more details; we show how the the spectra change with photon energy, and how the theory explains this behaviour. We also describe how we include several effects which are important to obtain a correct comparison between theory and experiment, such as secondary electrons and photon cross sections. In particular the inclusion of extrinsic losses and their dependence on the photon energy are key to the description of the energy dependence of spectra.
Band connectivity for topological quantum chemistry: Band structures as a graph theory problem
NASA Astrophysics Data System (ADS)
Bradlyn, Barry; Elcoro, L.; Vergniory, M. G.; Cano, Jennifer; Wang, Zhijun; Felser, C.; Aroyo, M. I.; Bernevig, B. Andrei
2018-01-01
The conventional theory of solids is well suited to describing band structures locally near isolated points in momentum space, but struggles to capture the full, global picture necessary for understanding topological phenomena. In part of a recent paper [B. Bradlyn et al., Nature (London) 547, 298 (2017), 10.1038/nature23268], we have introduced the way to overcome this difficulty by formulating the problem of sewing together many disconnected local k .p band structures across the Brillouin zone in terms of graph theory. In this paper, we give the details of our full theoretical construction. We show that crystal symmetries strongly constrain the allowed connectivities of energy bands, and we employ graph theoretic techniques such as graph connectivity to enumerate all the solutions to these constraints. The tools of graph theory allow us to identify disconnected groups of bands in these solutions, and so identify topologically distinct insulating phases.
Arhun, Neslihan; Cehreli, Sevi Burcak
2013-01-01
Reestablishing proximal contacts with composite resins may prove challenging since the applied adhesives may lead to resin coating that produces additional thickness. The aim of this study was to investigate the surface of metal matrix bands after application of adhesive systems and blowing or wiping off the adhesive before polymerization. Seventeen groups of matrix bands were prepared. The remnant particles were characterized by energy dispersive spectrum and scanning electron microscopy. Total etch and two-step self-etch adhesives did not leave any resin residues by wiping and blowing off. All-in-one adhesive revealed resin residues despite wiping off. Prime and Bond NT did not leave any remnant with compomer. Clinicians must be made aware of the consequences of possible adhesive remnants on matrix bands that may lead to a defective definitive restoration. The adhesive resin used for Class II restorations may leave resin coats on metal matrix bands after polymerization, resulting in additional thickness on the metal matrix bands and poor quality of the proximal surface of the definitive restoration when the adhesive system is incorporated in the restoration.
Energy staggering in superdeformed bands in {sup 131}Ce, {sup 132}Ce, and {sup 133}Ce
DOE Office of Scientific and Technical Information (OSTI.GOV)
Semple, A.T.; Nolan, P.J.; Beausang, C.W.
1996-05-01
Superdeformed bands observed in {sup 131}Ce, {sup 132}Ce, and {sup 133}Ce have sequences of {gamma}-ray transition energies that exhibit a {Delta}{ital I}=2 staggering. This staggering has different characteristics to that seen in previously known cases in other mass regions. The energy staggering starts at low rotational frequency ({sq_bullet}{omega}=3 MeV for {sup 131}Ce) at a magnitude of {approximately}{plus_minus}0.3 keV, dies away to zero at intermediate frequency ({sq_bullet}{omega}=0.6{minus}0.7 MeV), and reappears at higher frequencies ({sq_bullet}{omega}{approximately}0.7 MeV). {copyright} {ital 1996 The American Physical Society.}
Removing energy from a beverage influences later food intake more than the same energy addition.
McCrickerd, K; Salleh, N B; Forde, C G
2016-10-01
Designing reduced-calorie foods and beverages without compromising their satiating effect could benefit weight management, assuming that consumers do not compensate for the missing calories at other meals. Though research has demonstrated that compensation for overfeeding is relatively limited, the extent to which energy reductions trigger adjustments in later food intake is less clear. The current study tested satiety responses (characterised by changes in appetite and later food intake) to both a covert 200 kcal reduction and an addition of maltodextrin to a soymilk test beverage. Twenty-nine healthy male participants were recruited to consume three sensory-matched soymilk beverages across four non-consecutive study days: a medium energy control (ME: 300 kcal) and a lower energy (LE: 100 kcal) and higher energy (HE: 500 kcal) version. The ME control was consumed twice to assess individual consistency in responses to this beverage. Participants were unaware of the energy differences across the soymilks. Lunch intake 60 min later increased in response to the LE soymilk, but was unchanged after consuming the HE version. These adjustments accounted for 40% of the energy removed from the soymilk and 13% of the energy added in. Rated appetite was relatively unaffected by the soymilk energy content. No further adjustments were noted for the rest of the day. These data suggest that adult men tested were more sensitive to calorie dilution than calorie addition to a familiar beverage. Copyright © 2016 Elsevier Ltd. All rights reserved.
Raman bands in Ag nanoparticles obtained in extract of Opuntia ficus-indica plant
NASA Astrophysics Data System (ADS)
Bocarando-Chacon, J.-G.; Cortez-Valadez, M.; Vargas-Vazquez, D.; Rodríguez Melgarejo, F.; Flores-Acosta, M.; Mani-Gonzalez, P. G.; Leon-Sarabia, E.; Navarro-Badilla, A.; Ramírez-Bon, R.
2014-05-01
Silver nanoparticles have been obtained in an extract of Opuntia ficus-indica plant. The size and distribution of nanoparticles were quantified by atomic force microscopy (AFM). The diameter was estimated to be about 15 nm. In addition, energy dispersive X-ray spectroscopy (EDX) peaks of silver were observed in these samples. Three Raman bands have been experimentally detected at 83, 110 and 160 cm-1. The bands at 83 and 110 cm-1 are assigned to the silver-silver Raman modes (skeletal modes) and the Raman mode located at 160 cm-1 has been assigned to breathing modes. Vibrational assignments of Raman modes have been carried out based on the Density Functional Theory (DFT) quantum mechanical calculation. Structural and vibrational properties for small Agn clusters with 2≤n≤9 were determined. Calculated Raman modes for small metal clusters have an approximation trend of Raman bands. These Raman bands were obtained experimentally for silver nanoparticles (AgNP).
NASA Astrophysics Data System (ADS)
Poklonski, N. A.; Vyrko, S. A.; Poklonskaya, O. N.; Kovalev, A. I.; Zabrodskii, A. G.
2016-06-01
A quasi-classical model of ionization equilibrium in the p-type diamond between hydrogen-like acceptors (boron atoms which substitute carbon atoms in the crystal lattice) and holes in the valence band (v-band) is proposed. The model is applicable on the insulator side of the insulator-metal concentration phase transition (Mott transition) in p-Dia:B crystals. The densities of the spatial distributions of impurity atoms (acceptors and donors) and of holes in the crystal are considered to be Poissonian, and the fluctuations of their electrostatic potential energy are considered to be Gaussian. The model accounts for the decrease in thermal ionization energy of boron atoms with increasing concentration, as well as for electrostatic fluctuations due to the Coulomb interaction limited to two nearest point charges (impurity ions and holes). The mobility edge of holes in the v-band is assumed to be equal to the sum of the threshold energy for diffusion percolation and the exchange energy of the holes. On the basis of the virial theorem, the temperature Tj is determined, in the vicinity of which the dc band-like conductivity of holes in the v-band is approximately equal to the hopping conductivity of holes via the boron atoms. For compensation ratio (hydrogen-like donor to acceptor concentration ratio) K ≈ 0.15 and temperature Tj, the concentration of "free" holes in the v-band and their jumping (turbulent) drift mobility are calculated. Dependence of the differential energy of thermal ionization of boron atoms (at the temperature 3Tj/2) as a function of their concentration N is calculated. The estimates of the extrapolated into the temperature region close to Tj hopping drift mobility of holes hopping from the boron atoms in the charge states (0) to the boron atoms in the charge states (-1) are given. Calculations based on the model show good agreement with electrical conductivity and Hall effect measurements for p-type diamond with boron atom concentrations in the
2015-03-20
In the bandstructure of graphene which is dominated by Dirac description, valence and conduction bands cross the Fermi level at a single point (K...of energy bands and appearance of Dirac cones near the ‘K’ point and Fermi level the electrons behave like massless Dirac fermions. For applications...results. Introduction Graphene, the super carbon , is now accepted as wonder material with new physics and it has caused major
Band-Gap and Band-Edge Engineering of Multicomponent Garnet Scintillators from First Principles
NASA Astrophysics Data System (ADS)
Yadav, Satyesh K.; Uberuaga, Blas P.; Nikl, Martin; Jiang, Chao; Stanek, Christopher R.
2015-11-01
Complex doping schemes in R3 Al5 O12 (where R is the rare-earth element) garnet compounds have recently led to pronounced improvements in scintillator performance. Specifically, by admixing lutetium and yttrium aluminate garnets with gallium and gadolinium, the band gap is altered in a manner that facilitates the removal of deleterious electron trapping associated with cation antisite defects. Here, we expand upon this initial work to systematically investigate the effect of substitutional admixing on the energy levels of band edges. Density-functional theory and hybrid density-functional theory (HDFT) are used to survey potential admixing candidates that modify either the conduction-band minimum (CBM) or valence-band maximum (VBM). We consider two sets of compositions based on Lu3 B5O12 where B is Al, Ga, In, As, and Sb, and R3Al5 O12 , where R is Lu, Gd, Dy, and Er. We find that admixing with various R cations does not appreciably affect the band gap or band edges. In contrast, substituting Al with cations of dissimilar ionic radii has a profound impact on the band structure. We further show that certain dopants can be used to selectively modify only the CBM or the VBM. Specifically, Ga and In decrease the band gap by lowering the CBM, while As and Sb decrease the band gap by raising the VBM, the relative change in band gap is quantitatively validated by HDFT. These results demonstrate a powerful approach to quickly screen the impact of dopants on the electronic structure of scintillator compounds, identifying those dopants which alter the band edges in very specific ways to eliminate both electron and hole traps responsible for performance limitations. This approach should be broadly applicable for the optimization of electronic and optical performance for a wide range of compounds by tuning the VBM and CBM.
47 CFR 15.713 - TV bands database.
Code of Federal Regulations, 2011 CFR
2011-10-01
... authorized services operating in the TV bands. In addition, a TV bands database must also verify that the FCC identifier (FCC ID) of a device seeking access to its services is valid; under this requirement the TV bands... information will come from the official Commission database. These services include: (i) Digital television...
Focus: Nucleation kinetics of shear bands in metallic glass.
Wang, J Q; Perepezko, J H
2016-12-07
The development of shear bands is recognized as the primary mechanism in controlling the plastic deformability of metallic glasses. However, the kinetics of the nucleation of shear bands has received limited attention. The nucleation of shear bands in metallic glasses (MG) can be investigated using a nanoindentation method to monitor the development of the first pop-in event that is a signature of shear band nucleation. The analysis of a statistically significant number of first pop-in events demonstrates the stochastic behavior that is characteristic of nucleation and reveals a multimodal behavior associated with local spatial heterogeneities. The shear band nucleation rate of the two nucleation modes and the associated activation energy, activation volume, and site density were determined by loading rate experiments. The nucleation activation energy is very close to the value that is characteristic of the β relaxation in metallic glass. The identification of the rate controlling kinetics for shear band nucleation offers guidance for promoting plastic flow in metallic glass.
Schröter, Marco; Alcocer, Marcelo J P; Cogdell, Richard J; Kühn, Oliver; Zigmantas, Donatas
2018-03-15
Bacterial photosynthesis features robust and adaptable energy-harvesting processes in which light-harvesting proteins play a crucial role. The peripheral light-harvesting complex of the purple bacterium Allochromatium vinosum is particularly distinct, featuring a double peak structure in its B800 absorption band. Two hypotheses-not necessarily mutually exclusive-concerning the origin of this splitting have been proposed; either two distinct B800 bacteriochlorophyll site energies are involved, or an excitonic dimerization of bacteriochlorophylls within the B800 ring takes place. Through the use of two-dimensional electronic spectroscopy, we present unambiguous evidence that excitonic interaction shapes the split band. We further identify and characterize all of the energy transfer pathways within this complex by using a global kinetic fitting procedure. Our approach demonstrates how the combination of two-dimensional spectral resolution and self-consistent fitting allows for extraction of information on light-harvesting processes, which would otherwise be inaccessible due to signal congestion.
Rotational band properties of 173W
NASA Astrophysics Data System (ADS)
Wang, H. X.; Zhang, Y. H.; Zhou, X. H.; Liu, M. L.; Ding, B.; Li, G. S.; Hua, W.; Zhou, H. B.; Guo, S.; Qiang, Y. H.; Oshima, M.; Koizumi, M.; Toh, Y.; Kimura, A.; Harada, H.; Furutaka, K.; Kitatani, F.; Nakamura, S.; Hatsukawa, Y.; Ohta, M.; Hara, K.; Kin, T.; Meng, J.
2012-10-01
High-spin states in 173W have been studied using the 150Nd(28Si,5n)173W reaction at beam energies of 135 and 140 MeV. The previously known bands associated with the 7/2+[633], 5/2-[512], and 1/2-[521] configurations are extended significantly, and the unfavored signature branch of the 1/2-[521] band is established for the first time. The band properties, such as level spacings, band-crossing frequencies, alignment gains, and signature splittings, are discussed with an emphasis on the low-spin signature inversion observed in the 5/2-[512] band. By comparing the experimental B(M1)/B(E2) ratios with the theoretical values, we conclude that the configuration of the 5/2-[512] band is quite pure at low spins without appreciable admixture of the 5/2-[523] orbit, in conflict with the particle rotor model calculated results.
Diffuse interstellar bands in reflection nebulae
NASA Technical Reports Server (NTRS)
Fischer, O.; Henning, Thomas; Pfau, Werner; Stognienko, R.
1994-01-01
A Monte Carlo code for radiation transport calculations is used to compare the profiles of the lambda lambda 5780 and 6613 Angstrom diffuse interstellar bands in the transmitted and the reflected light of a star embedded within an optically thin dust cloud. In addition, the behavior of polarization across the bands were calculated. The wavelength dependent complex indices of refraction across the bands were derived from the embedded cavity model. In view of the existence of different families of diffuse interstellar bands the question of other parameters of influence is addressed in short.
Block 3 X-band receiver-exciter
NASA Technical Reports Server (NTRS)
Johns, C. E.
1987-01-01
The development of an X-band exciter, for use in the X-Band Uplink Subsystem, was completed. The exciter generates the drive signal for the X-band transmitter and also generates coherent test signals for the S- and X-band Block 3 translator and a Doppler reference signal for the Doppler extractor system. In addition to the above, the exciter generates other reference signals that are described. Also presented is an overview of the exciter design and some test data taken on the prototype. A brief discussion of the Block 3 Doppler extractor is presented.
Microstructure characterisation of Ti-6Al-4V from different additive manufacturing processes
NASA Astrophysics Data System (ADS)
Neikter, M.; Åkerfeldt, P.; Pederson, R.; Antti, M.-L.
2017-10-01
The focus of this work has been microstructure characterisation of Ti-6Al-4V manufactured by five different additive manufacturing (AM) processes. The microstructure features being characterised are the prior β size, grain boundary α and α lath thickness. It was found that material manufactured with powder bed fusion processes has smaller prior β grains than the material from directed energy deposition processes. The AM processes with fast cooling rate render in thinner α laths and also thinner, and in some cases discontinuous, grain boundary α. Furthermore, it has been observed that material manufactured with the directed energy deposition processes has parallel bands, except for one condition when the parameters were changed, while the powder bed fusion processes do not have any parallel bands.
Density-functional energy gaps of solids demystified
NASA Astrophysics Data System (ADS)
Perdew, John P.; Ruzsinszky, Adrienn
2018-06-01
The fundamental energy gap of a solid is a ground-state second energy difference. Can one find the fundamental gap from the gap in the band structure of Kohn-Sham density functional theory? An argument of Williams and von Barth (WB), 1983, suggests that one can. In fact, self-consistent band-structure calculations within the local density approximation or the generalized gradient approximation (GGA) yield the fundamental gap within the same approximation for the energy. Such a calculation with the exact density functional would yield a band gap that also underestimates the fundamental gap, because the exact Kohn-Sham potential in a solid jumps up by an additive constant when one electron is added, and the WB argument does not take this effect into account. The WB argument has been extended recently to generalized Kohn-Sham theory, the simplest way to implement meta-GGAs and hybrid functionals self-consistently, with an exchange-correlation potential that is a non-multiplication operator. Since this operator is continuous, the band gap is again the fundamental gap within the same approximation, but, because the approximations are more realistic, so is the band gap. What approximations might be even more realistic?
Zhao, Huaqiao; Gao, Huotao; Cao, Ting; Li, Boya
2018-01-22
In this work, the collection of solar energy by a broad-band nanospiral antenna is investigated in order to solve the low efficiency of the solar rectenna based on conventional nanoantennas. The antenna impedance, radiation, polarization and effective area are all considered in the efficiency calculation using the finite integral technique. The wavelength range investigated is 300-3000 nm, which corresponds to more than 98% of the solar radiation energy. It's found that the nanospiral has stronger field enhancement in the gap than a nanodipole counterpart. And a maximum harvesting efficiency about 80% is possible in principle for the nanospiral coupled to a rectifier resistance of 200 Ω, while about 10% for the nanodipole under the same conditions. Moreover, the nanospiral could be coupled to a rectifier diode of high resistance more easily than the nanodipole. These results indicate that the efficient full-spectrum utilization, reception and conversion of solar energy can be achieved by the nanospiral antenna, which is expected to promote the solar rectenna to be a promising technology in the clean, renewable energy application.
Band-to-Band Tunneling-Dominated Thermo-Enhanced Field Electron Emission from p-Si/ZnO Nanoemitters.
Huang, Zhizhen; Huang, Yifeng; Xu, Ningsheng; Chen, Jun; She, Juncong; Deng, Shaozhi
2018-06-13
Thermo-enhancement is an effective way to achieve high performance field electron emitters, and enables the individually tuning on the emission current by temperature and the electron energy by voltage. The field emission current from metal or n-doped semiconductor emitter at a relatively lower temperature (i.e., < 1000 K) is less temperature sensitive due to the weak dependence of free electron density on temperature, while that from p-doped semiconductor emitter is restricted by its limited free electron density. Here, we developed full array of uniform individual p-Si/ZnO nanoemitters and demonstrated the strong thermo-enhanced field emission. The mechanism of forming uniform nanoemitters with well Si/ZnO mechanical joint in the nanotemplates was elucidated. No current saturation was observed in the thermo-enhanced field emission measurements. The emission current density showed about ten-time enhancement (from 1.31 to 12.11 mA/cm 2 at 60.6 MV/m) by increasing the temperature from 323 to 623 K. The distinctive performance did not agree with the interband excitation mechanism but well-fit to the band-to-band tunneling model. The strong thermo-enhancement was proposed to be benefit from the increase of band-to-band tunneling probability at the surface portion of the p-Si/ZnO nanojunction. This work provides promising cathode for portable X-ray tubes/panel, ionization vacuum gauges and low energy electron beam lithography, in where electron-dose control at a fixed energy is needed.
NASA Astrophysics Data System (ADS)
Krücken, R.; Cooper, J. R.; Beausang, C. W.; Novak, J. R.; Dewald, A.; Klug, T.; Kemper, G.; von Brentano, P.; Carpenter, M.; Wiedenhöver, I.
We present details of the band crossing mechanism of shears bands using the example of 197Pb. Absolute reduced matrix elements B(M1) were determined by means of a RDM lifetime measurement in one of the shears bands in 197Pb. The experiment was performed using the New Yale Plunger Device (NYPD) in conjunction with the Gammasphere array. Band mixing calculations on the basis of the semi-classical model of the shears mechanism are used to describe the transition matrix elements B(M1) and energies throughout the band-crossing regions. Good agreement with the data was obtained and the detailed composition of the states in the shears band are discussed.
Linear Scaling of the Exciton Binding Energy versus the Band Gap of Two-Dimensional Materials
NASA Astrophysics Data System (ADS)
Choi, Jin-Ho; Cui, Ping; Lan, Haiping; Zhang, Zhenyu
2015-08-01
The exciton is one of the most crucial physical entities in the performance of optoelectronic and photonic devices, and widely varying exciton binding energies have been reported in different classes of materials. Using first-principles calculations within the G W -Bethe-Salpeter equation approach, here we investigate the excitonic properties of two recently discovered layered materials: phosphorene and graphene fluoride. We first confirm large exciton binding energies of, respectively, 0.85 and 2.03 eV in these systems. Next, by comparing these systems with several other representative two-dimensional materials, we discover a striking linear relationship between the exciton binding energy and the band gap and interpret the existence of the linear scaling law within a simple hydrogenic picture. The broad applicability of this novel scaling law is further demonstrated by using strained graphene fluoride. These findings are expected to stimulate related studies in higher and lower dimensions, potentially resulting in a deeper understanding of excitonic effects in materials of all dimensionalities.
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.
Non-additive dissipation in open quantum networks out of equilibrium
NASA Astrophysics Data System (ADS)
Mitchison, Mark T.; Plenio, Martin B.
2018-03-01
We theoretically study a simple non-equilibrium quantum network whose dynamics can be expressed and exactly solved in terms of a time-local master equation. Specifically, we consider a pair of coupled fermionic modes, each one locally exchanging energy and particles with an independent, macroscopic thermal reservoir. We show that the generator of the asymptotic master equation is not additive, i.e. it cannot be expressed as a sum of contributions describing the action of each reservoir alone. Instead, we identify an additional interference term that generates coherences in the energy eigenbasis, associated with the current of conserved particles flowing in the steady state. Notably, non-additivity arises even for wide-band reservoirs coupled arbitrarily weakly to the system. Our results shed light on the non-trivial interplay between multiple thermal noise sources in modular open quantum systems.
Katz, Michael J; Vermeer, Michael J D; Farha, Omar K; Pellin, Michael J; Hupp, Joseph T
2013-01-15
Both the adsorption of t-butylpyridine and the atomic-layer deposition of ultrathin conformal coatings of insulators (such as alumina) are known to boost open-circuit photovoltages substantially for dye-sensitized solar cells. One attractive interpretation is that these modifiers significantly shift the conduction-edge energy of the electrode, thereby shifting the onset potential for dark current arising from the interception of injected electrons by solution-phase redox shuttle components such as Co(phenanthroline)(3)(3+) and triiodide. For standard, high-area, nanoporous photoelectrodes, band-edge energies are difficult to measure directly. In contrast, for flat electrodes they are readily accessible from Mott-Schottky analyses of impedance data. Using such electrodes (specifically TiO(2)), we find that neither organic nor inorganic electrode-surface modifiers shift the conduction-band-edge energy sufficiently to account fully for the beneficial effects on electrode behavior (i.e., the suppression of dark current). Additional experiments reveal that the efficacy of ultrathin coatings of Al(2)O(3) arises chiefly from the passivation of redox-catalytic surface states. In contrast, adsorbed t-butylpyridine appears to suppress dark currents mainly by physically blocking access of shuttle molecules to the electrode surface. Studies with other derivatives of pyridine, including sterically and/or electronically diverse derivatives, show that heterocycle adsorption and the concomitant suppression of dark current does not require the coordination of surface Ti(IV) or Al(III) atoms. Notably, the favorable (i.e., negative) shifts in onset potential for the flow of dark current engendered by organic and inorganic surface modifiers are additive. Furthermore, they appear to be largely insensitive to the identity of shuttle molecules.
Near UV bands of jet-cooled CaO
NASA Astrophysics Data System (ADS)
Stewart, Jacob T.; Sullivan, Michael N.; Heaven, Michael C.
2016-04-01
The electronic spectrum of CaO has been recorded for the 29,800-33,150 cm-1 energy range. Jet cooling was used to obtain relatively uncongested spectra. Rotationally resolved bands have been assigned to the C1Σ+-X1Σ+ and F1∏-X transitions. These data extend the range of vibronic levels characterized for the upper states. Three additional vibronic states were observed as a short progression. One of these levels, which are of 0+ symmetry, interacts strongly with the C1Σ+, v‧ = 7 level. Possible assignments for the perturbing state are considered.
NASA Astrophysics Data System (ADS)
Yuan, Lei; Zhang, Hongpeng; Jia, Renxu; Guo, Lixin; Zhang, Yimen; Zhang, Yuming
2018-03-01
Energy band alignments between series band of Al-rich high-k materials (HfO2)x(Al2O3)1-x and β-Ga2O3 are investigated using X-Ray Photoelectron Spectroscopy (XPS). The results exhibit sufficient conduction band offsets (1.42-1.53 eV) in (HfO2)x(Al2O3)1-x/β-Ga2O3. In addition, it is also obtained that the value of Eg, △Ec, and △Ev for (HfO2)x(Al2O3)1-x/β-Ga2O3 change linearly with x, which can be expressed by 6.98-1.27x, 1.65-0.56x, and 0.48-0.70x, respectively. The higher dielectric constant and higher effective breakdown electric field of (HfO2)x(Al2O3)1-x compared with Al2O3, coupled with sufficient barrier height and lower gate leakage makes it a potential dielectric for high voltage β-Ga2O3 power MOSFET, and also provokes interest in further investigation of HfAlO/β-Ga2O3 interface properties.
NASA Astrophysics Data System (ADS)
Chen, Chang Pang; Ong, Bin Leong; Ong, Sheau Wei; Ong, Weijie; Tan, Hui Ru; Chai, Jian Wei; Zhang, Zheng; Wang, Shi Jie; Pan, Ji Sheng; Harrison, Leslie John; Kang, Hway Chuan; Tok, Eng Soon
2017-10-01
Room temperature growth of HfO2 thin film on clean 2H-MoS2 via plasma-sputtering of Hf-metal target in an argon/oxygen environment was studied in-situ using x-ray photoelectron spectroscopy (XPS). The deposited film was observed to grow akin to a layer-by-layer growth mode. At the onset of growth, a mixture of sulfate- and sulfite-like species (SOx2- where x = 3, 4), and molybdenum trioxide (MoO3), are formed at the HfO2/MoS2 interface. An initial decrease in binding energies for both Mo 3d and S 2p core-levels of the MoS2 substrate by 0.4 eV was also observed. Their binding energies, however, did not change further with increasing HfO2 thickness. There was no observable change in the Hf4f core-level binding energy throughout the deposition process. With increasing HfO2 deposition, MoO3 becomes buried at the interface while SOx2- was observed to be present in the film. The shift of 0.4 eV for both Mo 3d and S 2p core-levels of the MoS2 substrate can be attributed to a charge transfer from the substrate to the MoO3/SOx2--like interface layer. Consequently, the Type I heterojunction valence band offset (conduction band offset) becomes 1.7 eV (2.9 eV) instead of 1.3 eV (3.3 eV) expected from considering the bulk HfO2 and MoS2 valence band offset (conduction band offset). The formation of these states and its influence on band offsets will need to be considered in their device applications.
Baillie, Devin; St Aubin, J; Fallone, B G; Steciw, S
2013-04-01
To use a finite-element method (FEM) model to study the feasibility of producing a short s-band (2.9985 GHz) waveguide capable of producing x-rays energies up to 10 MV, for applications in a linac-MR, as well as conventional radiotherapy. An existing waveguide FEM model developed by the authors' group is used to simulate replacing the magnetron power source with a klystron. Peak fields within the waveguide are compared with a published experimental threshold for electric breakdown. The RF fields in the first accelerating cavity are scaled, approximating the effect of modifications to the first coupling cavity. Electron trajectories are calculated within the RF fields, and the energy spectrum, beam current, and focal spot of the electron beam are analyzed. One electron spectrum is selected for Monte Carlo simulations and the resulting PDD compared to measurement. When the first cavity fields are scaled by a factor of 0.475, the peak magnitude of the electric fields within the waveguide are calculated to be 223.1 MV∕m, 29% lower than the published threshold for breakdown at this operating frequency. Maximum electron energy increased from 6.2 to 10.4 MeV, and beam current increased from 134 to 170 mA. The focal spot FWHM is decreased slightly from 0.07 to 0.05 mm, and the width of the energy spectrum increased slightly from 0.44 to 0.70 MeV. Monte Carlo results show dmax is at 2.15 cm for a 10 × 10 cm(2) field, compared with 2.3 cm for a Varian 10 MV linac, while the penumbral widths are 4.8 and 5.6 mm, respectively. The authors' simulation results show that a short, high-energy, s-band accelerator is feasible and electric breakdown is not expected to interfere with operation at these field strengths. With minor modifications to the first coupling cavity, all electron beam parameters are improved.
NASA Astrophysics Data System (ADS)
Yin, Yiheng; Niu, Yanxiong; Zhang, Huiyun; Zhang, Yuping; Liu, Haiyue
2016-02-01
Utilizing the transfer matrix method, we develop the electronic band structure and transport properties in Thue-Morse aperiodic graphene superlattices with magnetic barriers. It is found that the normal transmission is blocked and the position of the Dirac point can be shifted along the wavevector axis by changing the height and width ratio of magnetic barriers, which is intrinsic different from electronic field modulated superlattices. In addition, the angular threshold property of the transmission spectra and the oscillatory property of the conductance have been studied.
Zero-phonon line and fine structure of the yellow luminescence band in GaN
NASA Astrophysics Data System (ADS)
Reshchikov, M. A.; McNamara, J. D.; Zhang, F.; Monavarian, M.; Usikov, A.; Helava, H.; Makarov, Yu.; Morkoç, H.
2016-07-01
The yellow luminescence band was studied in undoped and Si-doped GaN samples by steady-state and time-resolved photoluminescence. At low temperature (18 K), the zero-phonon line (ZPL) for the yellow band is observed at 2.57 eV and attributed to electron transitions from a shallow donor to a deep-level defect. At higher temperatures, the ZPL at 2.59 eV emerges, which is attributed to electron transitions from the conduction band to the same defect. In addition to the ZPL, a set of phonon replicas is observed, which is caused by the emission of phonons with energies of 39.5 meV and 91.5 meV. The defect is called the YL1 center. The possible identity of the YL1 center is discussed. The results indicate that the same defect is responsible for the strong YL1 band in undoped and Si-doped GaN samples.
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.
Tuning the Energy Gap of SiCH3 Nanomaterials Under Elastic Strain
NASA Astrophysics Data System (ADS)
Ma, Shengqian; Li, Feng; Geng, Jiguo; Zhu, Mei; Li, Suyan; Han, Juguang
2018-05-01
SiCH3 nanomaterials have been studied using the density functional theory. When the nanosheets and nanoribbons (armchair and zigzag) are introduced, their energy gap is modulated under elastic strain and width. The results show that the band gap of SiCH3 nanomaterials can be easily tuned using elastic strains and widths. Surprisingly, the band gap can be modulated along two directions, namely, compressing and stretching. The band gap decreases when increasing stretching strain or decreasing compressing strain. In addition, the band gap decreases when increasing the nanoribbon width. For energy gap engineering, the band gap can be tuned by strains and widths. Therefore, the SiCH3 nanomaterials play important roles in potential applications for strain sensors, electronics, and optical electronics.
Alidoust, Nima; Toroker, Maytal Caspary; Keith, John A; Carter, Emily A
2014-01-01
Long-term sustainable solar energy conversion relies on identifying economical and versatile semiconductor materials with appropriate band structures for photovoltaic and photocatalytic applications (e.g., band gaps of ∼ 1.5-2.0 eV). Nickel oxide (NiO) is an inexpensive yet highly promising candidate. Its charge-transfer character may lead to longer carrier lifetimes needed for higher efficiencies, and its conduction band edge is suitable for driving hydrogen evolution via water-splitting. However, NiO's large band gap (∼ 4 eV) severely limits its use in practical applications. Our first-principles quantum mechanics calculations show band gaps dramatically decrease to ∼ 2.0 eV when NiO is alloyed with Li2O. We show that Lix Ni1-x O alloys (with x=0.125 and 0.25) are p-type semiconductors, contain states with no impurity levels in the gap and maintain NiO's desirable charge-transfer character. Lastly, we show that the alloys have potential for photoelectrochemical applications, with band edges well-placed for photocatalytic hydrogen production and CO2 reduction, as well as in tandem dye-sensitized solar cells as a photocathode. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Modeling of multi-band drift in nanowires using a full band Monte Carlo simulation
NASA Astrophysics Data System (ADS)
Hathwar, Raghuraj; Saraniti, Marco; Goodnick, Stephen M.
2016-07-01
We report on a new numerical approach for multi-band drift within the context of full band Monte Carlo (FBMC) simulation and apply this to Si and InAs nanowires. The approach is based on the solution of the Krieger and Iafrate (KI) equations [J. B. Krieger and G. J. Iafrate, Phys. Rev. B 33, 5494 (1986)], which gives the probability of carriers undergoing interband transitions subject to an applied electric field. The KI equations are based on the solution of the time-dependent Schrödinger equation, and previous solutions of these equations have used Runge-Kutta (RK) methods to numerically solve the KI equations. This approach made the solution of the KI equations numerically expensive and was therefore only applied to a small part of the Brillouin zone (BZ). Here we discuss an alternate approach to the solution of the KI equations using the Magnus expansion (also known as "exponential perturbation theory"). This method is more accurate than the RK method as the solution lies on the exponential map and shares important qualitative properties with the exact solution such as the preservation of the unitary character of the time evolution operator. The solution of the KI equations is then incorporated through a modified FBMC free-flight drift routine and applied throughout the nanowire BZ. The importance of the multi-band drift model is then demonstrated for the case of Si and InAs nanowires by simulating a uniform field FBMC and analyzing the average carrier energies and carrier populations under high electric fields. Numerical simulations show that the average energy of the carriers under high electric field is significantly higher when multi-band drift is taken into consideration, due to the interband transitions allowing carriers to achieve higher energies.
Multiple band structures in 70Ge
NASA Astrophysics Data System (ADS)
Haring-Kaye, R. A.; Morrow, S. I.; Döring, J.; Tabor, S. L.; Le, K. Q.; Allegro, P. R. P.; Bender, P. C.; Elder, R. M.; Medina, N. H.; Oliveira, J. R. B.; Tripathi, Vandana
2018-02-01
High-spin states in 70Ge were studied using the 55Mn(18O,p 2 n ) fusion-evaporation reaction at a beam energy of 50 MeV. Prompt γ -γ coincidences were measured using the Florida State University Compton-suppressed Ge array consisting of three Clover detectors and seven single-crystal detectors. An investigation of these coincidences resulted in the addition of 31 new transitions and the rearrangement of four others in the 70Ge level scheme, providing a more complete picture of the high-spin decay pattern involving both positive- and negative-parity states with multiple band structures. Spins were assigned based on directional correlation of oriented nuclei ratios, which many times also led to unambiguous parity determinations based on the firm assignments for low-lying states made in previous work. Total Routhian surface calculations, along with the observed trends in the experimental kinematic moment of inertia with rotational frequency, support the multiquasiparticle configurations of the various crossing bands proposed in recent studies. The high-spin excitation spectra predicted by previous shell-model calculations compare favorably with the experimental one determined from this study.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Poklonski, N. A., E-mail: poklonski@bsu.by; Vyrko, S. A.; Poklonskaya, O. N.
A quasi-classical model of ionization equilibrium in the p-type diamond between hydrogen-like acceptors (boron atoms which substitute carbon atoms in the crystal lattice) and holes in the valence band (v-band) is proposed. The model is applicable on the insulator side of the insulator–metal concentration phase transition (Mott transition) in p-Dia:B crystals. The densities of the spatial distributions of impurity atoms (acceptors and donors) and of holes in the crystal are considered to be Poissonian, and the fluctuations of their electrostatic potential energy are considered to be Gaussian. The model accounts for the decrease in thermal ionization energy of boron atomsmore » with increasing concentration, as well as for electrostatic fluctuations due to the Coulomb interaction limited to two nearest point charges (impurity ions and holes). The mobility edge of holes in the v-band is assumed to be equal to the sum of the threshold energy for diffusion percolation and the exchange energy of the holes. On the basis of the virial theorem, the temperature T{sub j} is determined, in the vicinity of which the dc band-like conductivity of holes in the v-band is approximately equal to the hopping conductivity of holes via the boron atoms. For compensation ratio (hydrogen-like donor to acceptor concentration ratio) K ≈ 0.15 and temperature T{sub j}, the concentration of “free” holes in the v-band and their jumping (turbulent) drift mobility are calculated. Dependence of the differential energy of thermal ionization of boron atoms (at the temperature 3T{sub j}/2) as a function of their concentration N is calculated. The estimates of the extrapolated into the temperature region close to T{sub j} hopping drift mobility of holes hopping from the boron atoms in the charge states (0) to the boron atoms in the charge states (−1) are given. Calculations based on the model show good agreement with electrical conductivity and Hall effect measurements for p
Band-gap and band-edge engineering of multicomponent garnet scintillators from first principles
Yadav, Satyesh K.; Uberuaga, Blas P.; Nikl, Martin; ...
2015-11-24
Complex doping schemes in R 3Al 5O 12 (where R is the rare-earth element) garnet compounds have recently led to pronounced improvements in scintillator performance. Specifically, by admixing lutetium and yttrium aluminate garnets with gallium and gadolinium, the band gap is altered in a manner that facilitates the removal of deleterious electron trapping associated with cation antisite defects. Here, we expand upon this initial work to systematically investigate the effect of substitutional admixing on the energy levels of band edges. Density-functional theory and hybrid density-functional theory (HDFT) are used to survey potential admixing candidates that modify either the conduction-band minimummore » (CBM) or valence-band maximum (VBM). We consider two sets of compositions based on Lu 3B 5O 12 where B is Al, Ga, In, As, and Sb, and R 3Al 5O 12, where R is Lu, Gd, Dy, and Er. We find that admixing with various R cations does not appreciably affect the band gap or band edges. In contrast, substituting Al with cations of dissimilar ionic radii has a profound impact on the band structure. We further show that certain dopants can be used to selectively modify only the CBM or the VBM. Specifically, Ga and In decrease the band gap by lowering the CBM, while As and Sb decrease the band gap by raising the VBM, the relative change in band gap is quantitatively validated by HDFT. These results demonstrate a powerful approach to quickly screen the impact of dopants on the electronic structure of scintillator compounds, identifying those dopants which alter the band edges in very specific ways to eliminate both electron and hole traps responsible for performance limitations. Furthermore, this approach should be broadly applicable for the optimization of electronic and optical performance for a wide range of compounds by tuning the VBM and CBM.« less
Energy dependence of effective electron mass and laser-induced ionization of wide band-gap solids
NASA Astrophysics Data System (ADS)
Gruzdev, V. E.
2008-10-01
Most of the traditional theoretical models of laser-induced ionization were developed under the assumption of constant effective electron mass or weak dependence of the effective mass on electron energy. Those assumptions exclude from consideration all the effects resulting from significant increase of the effective mass with increasing of electron energy in real the conduction band. Promotion of electrons to the states with high effective mass can be done either via laserinduced electron oscillations or via electron-particle collisions. Increase of the effective mass during laser-material interactions can result in specific regimes of ionization. Performing a simple qualitative analysis by comparison of the constant-mass approximation vs realistic dependences of the effective mass on electron energy, we demonstrate that the traditional ionization models provide reliable estimation of the ionization rate in a very limited domain of laser intensity and wavelength. By taking into account increase of the effective mass with electron energy, we demonstrate that special regimes of high-intensity photo-ionization are possible depending on laser and material parameters. Qualitative analysis of the energy dependence of the effective mass also leads to conclusion that the avalanche ionization can be stopped by the effect of electron trapping in the states with large values of the effective mass.
Intermediate Band Gap Solar Cells: The Effect of Resonant Tunneling on Delocalization
NASA Astrophysics Data System (ADS)
William, Reid; Mathew, Doty; Sanwli, Shilpa; Gammon, Dan; Bracker, Allan
2011-03-01
Quantum dots (QD's) have many unique properties, including tunable discrete energy levels, that make them suitable for a variety of next generation photovoltaic applications. One application is an intermediate band solar cell (IBSC); in which QD's are incorporated into the bulk material. The QD's are tuned to absorb low energy photons that would otherwise be wasted because their energy is less than the solar cell's bulk band gap. Current theory concludes that identical QD's should be arranged in a superlattice to form a completely delocalized intermediate band maximizing absorption of low energy photons while minimizing the decrease in the efficiency of the bulk material. We use a T-matrix model to assess the feasibility of forming a delocalized band given that real QD ensembles have an inhomogeneous distribution of energy levels. Our results suggest that formation of a band delocalized through a large QD superlattice is challenging; suggesting that the assumptions underlying present IBSC theory require reexamination. We use time-resolved photoluminescence of coupled QD's to probe the effect of delocalized states on the dynamics of absorption, energy transport, and nonradiative relaxation. These results will allow us to reexamine the theoretical assumptions and determine the degree of delocalization necessary to create an efficient quantum dot-based IBSC.
NASA Astrophysics Data System (ADS)
Phillips, Philip W.; Setty, Chandan; Zhang, Shuyi
2018-05-01
Motivated by recent bounds for charge diffusion in critical matter, we investigate the following question: What sets the scale for the velocity for diffusing degrees of freedom in a scale-invariant system? To make our statements precise, we analyze the diffusion pole in an exactly solvable model for a Mott transition in the presence of a long-range interaction term. To achieve scale invariance, we limit our discussion to the flat-band regime. We find in this limit that the diffusion pole, which would normally obtain at finite energy, is pushed to zero energy, resulting in a vanishing of the diffusion constant. This occurs even in the presence of interactions in certain limits, indicating the robustness of this result to the inclusion of a scale in the problem. Consequently, scale invariance precludes any reasonable definition of the diffusion constant. Nonetheless, we do find that a scale can be defined, albeit irrelevant to diffusion, which is the product of the squared band velocity and the density of states.
Evidence of chiral bands in even-even nuclei
NASA Astrophysics Data System (ADS)
Petrache, C. M.; Lv, B. F.; Astier, A.; Dupont, E.; Wang, Y. K.; Zhang, S. Q.; Zhao, P. W.; Ren, Z. X.; Meng, J.; Greenlees, P. T.; Badran, H.; Cox, D. M.; Grahn, T.; Julin, R.; Juutinen, S.; Konki, J.; Pakarinen, J.; Papadakis, P.; Partanen, J.; Rahkila, P.; Sandzelius, M.; Saren, J.; Scholey, C.; Sorri, J.; Stolze, S.; Uusitalo, J.; Cederwall, B.; Aktas, Ö.; Ertoprak, A.; Liu, H.; Matta, S.; Subramaniam, P.; Guo, S.; Liu, M. L.; Zhou, X. H.; Wang, K. L.; Kuti, I.; Timár, J.; Tucholski, A.; Srebrny, J.; Andreoiu, C.
2018-04-01
Evidence for chiral doublet bands has been observed for the first time in the even-even nucleus 136Nd. One chiral band was firmly established. Four other candidates for chiral bands were also identified, which can contribute to the realization of the multiple pairs of chiral doublet bands (M χ D ) phenomenon. The observed bands are investigated by the constrained and tilted axis cranking covariant density functional theory (TAC-CDFT). Possible configurations have been explored. The experimental energy spectra, angular momenta, and B (M 1 )/B (E 2 ) values for the assigned configurations are globally reproduced by TAC-CDFT. Calculated results support the chiral interpretation of the observed bands, which correspond to shapes with maximum triaxiality induced by different multiquasiparticle configurations in 136Nd.
Esaki Diodes in van der Waals Heterojunctions with Broken-Gap Energy Band Alignment.
Yan, Rusen; Fathipour, Sara; Han, Yimo; Song, Bo; Xiao, Shudong; Li, Mingda; Ma, Nan; Protasenko, Vladimir; Muller, David A; Jena, Debdeep; Xing, Huili Grace
2015-09-09
van der Waals (vdW) heterojunctions composed of two-dimensional (2D) layered materials are emerging as a solid-state materials family that exhibits novel physics phenomena that can power a range of electronic and photonic applications. Here, we present the first demonstration of an important building block in vdW solids: room temperature Esaki tunnel diodes. The Esaki diodes were realized in vdW heterostructures made of black phosphorus (BP) and tin diselenide (SnSe2), two layered semiconductors that possess a broken-gap energy band offset. The presence of a thin insulating barrier between BP and SnSe2 enabled the observation of a prominent negative differential resistance (NDR) region in the forward-bias current-voltage characteristics, with a peak to valley ratio of 1.8 at 300 K and 2.8 at 80 K. A weak temperature dependence of the NDR indicates electron tunneling being the dominant transport mechanism, and a theoretical model shows excellent agreement with the experimental results. Furthermore, the broken-gap band alignment is confirmed by the junction photoresponse, and the phosphorus double planes in a single layer of BP are resolved in transmission electron microscopy (TEM) for the first time. Our results represent a significant advance in the fundamental understanding of vdW heterojunctions and broaden the potential applications of 2D layered materials.
Arnone, Mario; Koppisch, Dorothea; Smola, Thomas; Gabriel, Stefan; Verbist, Koen; Visser, Remco
2015-10-01
Many control banding tools use hazard banding in risk assessments for the occupational handling of hazardous substances. The outcome of these assessments can be combined with advice for the required risk management measures (RMMs). The Globally Harmonised System of Classification and Labelling of Chemicals (GHS) has resulted in a change in the hazard communication elements, i.e. Hazard (H) statements instead of Risk-phrases. Hazard banding schemes that depend on the old form of safety information have to be adapted to the new rules. The purpose of this publication is to outline the rationales for the assignment of hazard bands to H statements under the GHS. Based on this, this publication proposes a hazard banding scheme that uses the information from the safety data sheets as the basis for assignment. The assignment of hazard bands tiered according to the severity of the underlying hazards supports the important principle of substitution. Additionally, the set of assignment rules permits an exposure-route-specific assignment of hazard bands, which is necessary for the proposed route-specific RMMs. Ideally, all control banding tools should apply the same assignment rules. This GHS-compliant hazard banding scheme can hopefully help to establish a unified hazard banding strategy in the various control banding tools. Copyright © 2015 Elsevier Inc. All rights reserved.
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.
Understanding band gaps of solids in generalized Kohn-Sham theory.
Perdew, John P; Yang, Weitao; Burke, Kieron; Yang, Zenghui; Gross, Eberhard K U; Scheffler, Matthias; Scuseria, Gustavo E; Henderson, Thomas M; Zhang, Igor Ying; Ruzsinszky, Adrienn; Peng, Haowei; Sun, Jianwei; Trushin, Egor; Görling, Andreas
2017-03-14
The fundamental energy gap of a periodic solid distinguishes insulators from metals and characterizes low-energy single-electron excitations. However, the gap in the band structure of the exact multiplicative Kohn-Sham (KS) potential substantially underestimates the fundamental gap, a major limitation of KS density-functional theory. Here, we give a simple proof of a theorem: In generalized KS theory (GKS), the band gap of an extended system equals the fundamental gap for the approximate functional if the GKS potential operator is continuous and the density change is delocalized when an electron or hole is added. Our theorem explains how GKS band gaps from metageneralized gradient approximations (meta-GGAs) and hybrid functionals can be more realistic than those from GGAs or even from the exact KS potential. The theorem also follows from earlier work. The band edges in the GKS one-electron spectrum are also related to measurable energies. A linear chain of hydrogen molecules, solid aluminum arsenide, and solid argon provide numerical illustrations.
Understanding band gaps of solids in generalized Kohn–Sham theory
Perdew, John P.; Yang, Weitao; Burke, Kieron; Yang, Zenghui; Gross, Eberhard K. U.; Scheffler, Matthias; Scuseria, Gustavo E.; Henderson, Thomas M.; Zhang, Igor Ying; Ruzsinszky, Adrienn; Peng, Haowei; Sun, Jianwei; Trushin, Egor; Görling, Andreas
2017-01-01
The fundamental energy gap of a periodic solid distinguishes insulators from metals and characterizes low-energy single-electron excitations. However, the gap in the band structure of the exact multiplicative Kohn–Sham (KS) potential substantially underestimates the fundamental gap, a major limitation of KS density-functional theory. Here, we give a simple proof of a theorem: In generalized KS theory (GKS), the band gap of an extended system equals the fundamental gap for the approximate functional if the GKS potential operator is continuous and the density change is delocalized when an electron or hole is added. Our theorem explains how GKS band gaps from metageneralized gradient approximations (meta-GGAs) and hybrid functionals can be more realistic than those from GGAs or even from the exact KS potential. The theorem also follows from earlier work. The band edges in the GKS one-electron spectrum are also related to measurable energies. A linear chain of hydrogen molecules, solid aluminum arsenide, and solid argon provide numerical illustrations. PMID:28265085
ERIC Educational Resources Information Center
Wetsel, Grover C., Jr.
1978-01-01
Calculates the energy-band structure of noninteracting electrons in a one-dimensional crystal using exact and approximate methods for a rectangular-well atomic potential. A comparison of the two solutions as a function of potential-well depth and ratio of lattice spacing to well width is presented. (Author/GA)
NASA Astrophysics Data System (ADS)
Wu, Yi-hong; Fujita, Shizuo; Fujita, Shigeo
1990-01-01
We report on the calculations of energy band gaps based on the semiempirical tight-binding model for short-period (ZnTe)m(ZnSe)n and (ZnS)m(ZnSe)n strained-layer superlattices (SLSs). During the calculation, much attention has been paid to the modeling of strain effect. It is found that (ZnTe)m(ZnSe)n superlattices grown on InAs, InP, and GaAs substrates show very different electronic properties from each other, which is consistent with experimental results now available. Assuming that the emission observed for (ZnTe)m(ZnSe)n SLS originates from intrinsic luminescence, we obtain an unstrained valence-band offset of 1.136±0.1 eV for this superlattice. On the other hand, the band gap of (ZnS)m(ZnSe)n superlattice grown coherently on GaP is found to exhibit a much stronger structure dependence than that grown coherently on GaAs. The difference of energy gap between superlattice with equal monolayers (m=n) and the corresponding alloy with equal chalcogenide composition is also discussed.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Banik, Ananya; Biswas, Kanishka, E-mail: kanishka@jncasr.ac.in
SnTe, a Pb-free analogue of PbTe, was earlier assumed to be a poor thermoelectric material due to excess p-type carrier concentration and large energy separation between light and heavy hole valence bands. Here, we report the enhancement of the thermoelectric performance of p-type SnTe by Ag and I co-doping. AgI (1–6 mol%) alloying in SnTe modulates its electronic structure by increasing the band gap of SnTe, which results in decrease in the energy separation between its light and heavy hole valence bands, thereby giving rise to valence band convergence. Additionally, iodine doping in the Te sublattice of SnTe decreases themore » excess p-type carrier concentration. Due to significant decrease in hole concentration and reduction of the energy separation between light and heavy hole valence bands, significant enhancement in Seebeck coefficient was achieved at the temperature range of 600–900 K for Sn{sub 1−x}Ag{sub x}Te{sub 1−x}I{sub x} samples. A maximum thermoelectric figure of merit, zT, of ~1.05 was achieved at 860 K in high quality crystalline ingot of p-type Sn{sub 0.95}Ag{sub 0.05}Te{sub 0.95}I{sub 0.05}. - Graphical abstract: Significant decrease in hole concentration and reduction of the energy separation between light and heavy hole valence bands resulted in a maximum thermoelectric figure of merit, zT, of ~1.05 at 860 K in high quality crystalline ingot of p-type Sn{sub 0.95}Ag{sub 0.05}Te{sub 0.95}I{sub 0.05}. - Highlights: • AgI alloying in SnTe increases the principle band gap. • Hole concentration reduction and valence band convergence enhances thermopower of SnTe-AgI. • A maximum zT of ~1.05 was achieved at 860 K in p-type Sn{sub 0.95}Ag{sub 0.05}Te{sub 0.95}I{sub 0.05}.« less
Using Wannier functions to improve solid band gap predictions in density functional theory
Ma, Jie; Wang, Lin-Wang
2016-04-26
Enforcing a straight-line condition of the total energy upon removal/addition of fractional electrons on eigen states has been successfully applied to atoms and molecules for calculating ionization potentials and electron affinities, but fails for solids due to the extended nature of the eigen orbitals. Here we have extended the straight-line condition to the removal/addition of fractional electrons on Wannier functions constructed within the occupied/unoccupied subspaces. It removes the self-interaction energies of those Wannier functions, and yields accurate band gaps for solids compared to experiments. It does not have any adjustable parameters and the computational cost is at the DFT level.more » This method can also work for molecules, providing eigen energies in good agreement with experimental ionization potentials and electron affinities. Our approach can be viewed as an alternative approach of the standard LDA+U procedure.« less
Towards band structure and band offset engineering of monolayer Mo(1-x)W(x)S2 via Strain
NASA Astrophysics Data System (ADS)
Kim, Joon-Seok; Ahmad, Rafia; Pandey, Tribhuwan; Rai, Amritesh; Feng, Simin; Yang, Jing; Lin, Zhong; Terrones, Mauricio; Banerjee, Sanjay K.; Singh, Abhishek K.; Akinwande, Deji; Lin, Jung-Fu
2018-01-01
Semiconducting transition metal dichalcogenides (TMDs) demonstrate a wide range of optoelectronic properties due to their diverse elemental compositions, and are promising candidates for next-generation optoelectronics and energy harvesting devices. However, effective band offset engineering is required to implement practical structures with desirable functionalities. Here, we explore the pressure-induced band structure evolution of monolayer WS2 and Mo0.5W0.5S2 using hydrostatic compressive strain applied in a diamond anvil cell (DAC) apparatus and theoretical calculations, in order to study the modulation of band structure and explore the possibility of band alignment engineering through different compositions. Higher W composition in Mo(1-x)W(x)S2 contributes to a greater pressure-sensitivity of direct band gap opening, with a maximum value of 54 meV GPa-1 in WS2. Interestingly, while the conduction band minima (CBMs) remains largely unchanged after the rapid gap increase, valence band maxima (VBMs) significantly rise above the initial values. It is suggested that the pressure- and composition-engineering could introduce a wide variety of band alignments including type I, type II, and type III heterojunctions, and allow to construct precise structures with desirable functionalities. No structural transition is observed during the pressure experiments, implying the pressure could provide selective modulation of band offset.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Gu, Z.; Ching, W.Y.
Based on the Sterne-Inkson model for the self-energy correction to the single-particle energy in the local-density approximation (LDA), we have implemented an approximate energy-dependent and [bold k]-dependent [ital GW] correction scheme to the orthogonalized linear combination of atomic orbital-based local-density calculation for insulators. In contrast to the approach of Jenkins, Srivastava, and Inkson, we evaluate the on-site exchange integrals using the LDA Bloch functions throughout the Brillouin zone. By using a [bold k]-weighted band gap [ital E][sub [ital g
Duan, Yuhua; Stinespring, Charter D.; Chorpening, Benjamin
2015-06-18
To better understand the effects of low-level fluorine in graphene-based sensors, first-principles density functional theory (DFT) with van der Waals dispersion interactions has been employed to investigate the structure and impact of fluorine defects on the electrical properties of single-layer graphene films. The results show that both graphite-2H and graphene have zero band gaps. When fluorine bonds to a carbon atom, the carbon atom is pulled slightly above the graphene plane, creating what is referred to as a CF defect. The lowest-binding energy state is found to correspond to two CF defects on nearest neighbor sites, with one fluorine abovemore » the carbon plane and the other below the plane. Overall this has the effect of buckling the graphene. The results further show that the addition of fluorine to graphene leads to the formation of an energy band (BF) near the Fermi level, contributed mainly from the 2p orbitals of fluorine with a small contribution from the porbitals of the carbon. Among the 11 binding configurations studied, our results show that only in two cases does the BF serve as a conduction band and open a band gap of 0.37 eV and 0.24 eV respectively. The binding energy decreases with decreasing fluorine concentration due to the interaction between neighboring fluorine atoms. The obtained results are useful for sensor development and nanoelectronics.« less
Modeling direct band-to-band tunneling: From bulk to quantum-confined semiconductor devices
NASA Astrophysics Data System (ADS)
Carrillo-Nuñez, H.; Ziegler, A.; Luisier, M.; Schenk, A.
2015-06-01
A rigorous framework to study direct band-to-band tunneling (BTBT) in homo- and hetero-junction semiconductor nanodevices is introduced. An interaction Hamiltonian coupling conduction and valence bands (CVBs) is derived using a multiband envelope method. A general form of the BTBT probability is then obtained from the linear response to the "CVBs interaction" that drives the system out of equilibrium. Simple expressions in terms of the one-electron spectral function are developed to compute the BTBT current in two- and three-dimensional semiconductor structures. Additionally, a two-band envelope equation based on the Flietner model of imaginary dispersion is proposed for the same purpose. In order to characterize their accuracy and differences, both approaches are compared with full-band, atomistic quantum transport simulations of Ge, InAs, and InAs-Si Esaki diodes. As another numerical application, the BTBT current in InAs-Si nanowire tunnel field-effect transistors is computed. It is found that both approaches agree with high accuracy. The first one is considerably easier to conceive and could be implemented straightforwardly in existing quantum transport tools based on the effective mass approximation to account for BTBT in nanodevices.
Band structure of an electron in a kind of periodic potentials with singularities
NASA Astrophysics Data System (ADS)
Hai, Kuo; Yu, Ning; Jia, Jiangping
2018-06-01
Noninteracting electrons in some crystals may experience periodic potentials with singularities and the governing Schrödinger equation cannot be defined at the singular points. The band structure of a single electron in such a one-dimensional crystal has been calculated by using an equivalent integral form of the Schrödinger equation. Both the perturbed and exact solutions are constructed respectively for the cases of a general singular weak-periodic system and its an exactly solvable version, Kronig-Penney model. Any one of them leads to a special band structure of the energy-dependent parameter, which results in an effective correction to the previous energy-band structure and gives a new explanation for forming the band structure. The used method and obtained results could be a valuable aid in the study of energy bands in solid-state physics, and the new explanation may trigger investigation to different physical mechanism of electron band structures.
NASA Astrophysics Data System (ADS)
Kuzuu, Nobu; Komatsu, Yoshikazu; Murahara, Masataka
1993-02-01
The energy-density and repetition-rate dependences of the intensity of KrF-excimer-laser (5.0 eV) -induced 1.9-eV emission band in type-III fused silicas synthesized under different conditions were investigated. The intensity of the 1.9-eV band is proportional to the 1.7-th power of the energy density and the 0.6-th power of the repetition rate of the laser pulse. The origin of these dependencies was discussed based on the trapped-oxygen-molecule model proposed by Awazu and Kawazoe; by irradiating with the excimer laser, ozone molecules are formed from dissolved oxygen molecules and 1.9-eV photons are emitted in the course of the photodecomposition of the ozone molecules. Therefore, a two-step photon-absorption process is needed to emit the 1.9-eV photon. To form the ozone molecule, diffusion of the oxygen atoms produced by the photodecomposition of the trapped oxygen molecules are needed. This model suggests that the intensity of the 1.9-eV band is proportional to the square of the energy density and the square root of the repetition rate; this dependency is nearly the same as that of our experimental result.
Thermoelectric band engineering: The role of carrier scattering
NASA Astrophysics Data System (ADS)
Witkoske, Evan; Wang, Xufeng; Lundstrom, Mark; Askarpour, Vahid; Maassen, Jesse
2017-11-01
Complex electronic band structures, with multiple valleys or bands at the same or similar energies, can be beneficial for thermoelectric performance, but the advantages can be offset by inter-valley and inter-band scattering. In this paper, we demonstrate how first-principles band structures coupled with recently developed techniques for rigorous simulation of electron-phonon scattering provide the capabilities to realistically assess the benefits and trade-offs associated with these materials. We illustrate the approach using n-type silicon as a model material and show that intervalley scattering is strong. This example shows that the convergence of valleys and bands can improve thermoelectric performance, but the magnitude of the improvement depends sensitively on the relative strengths of intra- and inter-valley electron scattering. Because anisotropy of the band structure also plays an important role, a measure of the benefit of band anisotropy in the presence of strong intervalley scattering is presented.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Dileep, K.; Loukya, B.; Datta, R., E-mail: ranjan@jncasr.ac.in
2014-09-14
Nanoscale optical band gap variations in epitaxial thin films of two different spinel ferrites, i.e., NiFe₂O₄ (NFO) and CoFe₂O₄ (CFO), have been investigated by spatially resolved high resolution electron energy loss spectroscopy. Experimentally, both NFO and CFO show indirect/direct band gaps around 1.52 eV/2.74 and 2.3 eV, and 1.3 eV/2.31 eV, respectively, for the ideal inverse spinel configuration with considerable standard deviation in the band gap values for CFO due to various levels of deviation from the ideal inverse spinel structure. Direct probing of the regions in both the systems with tetrahedral A site cation vacancy, which is distinct frommore » the ideal inverse spinel configuration, shows significantly smaller band gap values. The experimental results are supported by the density functional theory based modified Becke-Johnson exchange correlation potential calculated band gap values for the different cation configurations.« less
Zimnyakov, D.A.; Sevrugin, A.V.; Yuvchenko, S.A.; Fedorov, F.S.; Tretyachenko, E.V.; Vikulova, M.A.; Kovaleva, D.S.; Krugova, E.Y.; Gorokhovsky, A.V.
2016-01-01
Here we present the data on the energy-band-gap characteristics of composite nanoparticles produced by modification of the amorphous potassium polytitanate in aqueous solutions of different transition metal salts. Band gap characteristics are investigated using diffuse reflection spectra of the obtained powders. Calculated logarithmic derivative quantity of the Kubelka–Munk function reveals a presence of local maxima in the regions 0.5–1.5 eV and 1.6–3.0 eV which correspond to band gap values of the investigated materials. The values might be related to the constituents of the composite nanoparticles and intermediate products of their chemical interaction. PMID:27158654
Optical evidence of strong coupling between valence-band holes and d -localized spins in Zn1-xMnxO
NASA Astrophysics Data System (ADS)
Sokolov, V. I.; Druzhinin, A. V.; Gruzdev, N. B.; Dejneka, A.; Churpita, O.; Hubicka, Z.; Jastrabik, L.; Trepakov, V.
2010-04-01
We report on optical-absorption study of Zn1-xMnxO (x=0-0.06) films on fused silica substrates taking special attention to the spectral range of the fundamental absorption edge (3.1-4 eV). Well-pronounced excitonic lines observed in the region 3.40-3.45 eV were found to shift to higher energies with increasing Mn concentration. The optical band-gap energy increases with x too, reliably evidencing strong coupling between oxygen holes and localized spins of manganese ions. In the 3.1-3.3 eV region the optical-absorption curve in the manganese-contained films was found to shift to lower energies with respect to that for undoped ZnO. The additional absorption observed in this range is interpreted as a result of splitting of a localized Zhang-Rice-type state into the band gap.
Generation of Highly Oblique Lower Band Chorus Via Nonlinear Three-Wave Resonance
Fu, Xiangrong; Gary, Stephen Peter; Reeves, Geoffrey D.; ...
2017-09-05
Chorus in the inner magnetosphere has been observed frequently at geomagnetically active times, typically exhibiting a two-band structure with a quasi-parallel lower band and an upper band with a broad range of wave normal angles. But recent observations by Van Allen Probes confirm another type of lower band chorus, which has a large wave normal angle close to the resonance cone angle. It has been proposed that these waves could be generated by a low-energy beam-like electron component or by temperature anisotropy of keV electrons in the presence of a low-energy plateau-like electron component. This paper, however, presents an alternativemore » mechanism for generation of this highly oblique lower band chorus. Through a nonlinear three-wave resonance, a quasi-parallel lower band chorus wave can interact with a mildly oblique upper band chorus wave, producing a highly oblique quasi-electrostatic lower band chorus wave. This theoretical analysis is confirmed by 2-D electromagnetic particle-in-cell simulations. Furthermore, as the newly generated waves propagate away from the equator, their wave normal angle can further increase and they are able to scatter low-energy electrons to form a plateau-like structure in the parallel velocity distribution. As a result, the three-wave resonance mechanism may also explain the generation of quasi-parallel upper band chorus which has also been observed in the magnetosphere.« less
NASA Astrophysics Data System (ADS)
Ryczko, K.; Sek, G.; Sitarek, P.; Mika, A.; Misiewicz, J.; Langer, F.; Höfling, S.; Forchel, A.; Kamp, M.
2013-06-01
Optical transitions in GaAs1-xNx/GaAs quantum wells (QWs) have been probed by two complementary techniques, modulation spectroscopy in a form of photoreflectance and surface photovoltage spectroscopy. Transition energies in QWs of various widths and N contents have been compared with the results of band structure calculations based on the 10-band k.p Hamiltonian. Due to the observation of higher order transitions in the measured spectra, the band gap discontinuities at the GaAsN/GaAs interface and the electron effective masses could be determined, both treated as semi-free parameters to get the best matching between the theoretical and experimental energies. We have obtained the chemical conduction band offset values of 86% for x = 1.2% and 83% for x = 2.2%, respectively. For these determined band offsets, the electron effective masses equal to about 0.09 mo in QWs with 1.2% N and 0.15 mo for the case of larger N content of 2.2%.
Improvement of the Database on the 1.13-microns Band of Water Vapor
NASA Technical Reports Server (NTRS)
Giver, Lawrence P.; Schwenke, David W.; Chackerian, Charles, Jr.; Varanasi, Prasad; Freedman, Richard S.; Gore, Warren J. (Technical Monitor)
2000-01-01
Corrections have recently been reported (Giver et al.) on the short-wave (visible and near-infrared) line intensities of water vapor that were catalogued in the spectroscopic database known as HITRAN. These updates have been posted on www.hitran.com, and are being used to reanalyze the polar stratospheric absorption in the 0.94 microns band as observed in POAM. We are currently investigating additional improvement in the 1.13 microns band using data obtained by us with an absorption path length of 1.107 km and 4 torr of water vapor and the ab initio line list of Partridge and Schwenke (needs ref). We are proposing the following four types of improvement of the HITRAN database in this region: 1) HITRAN has nearly 200 lines in this region without proper assignments of rotational quantum levels. Nearly all of them can now be assigned. 2) We have measured positions of the observable H2O-17 and H2O-18 lines. These lines in HITRAN currently have approximate positions based upon rather aged computations. 3) Some additional lines are observed and assigned which should be included in the database. 4) Corrections are necessary for the lower state energies E" for the HITRAN lines of the 121-010 "hot" band.
Methodology for Wide Band-Gap Device Dynamic Characterization
Zhang, Zheyu; Guo, Ben; Wang, Fei Fred; ...
2017-01-19
Here, the double pulse test (DPT) is a widely accepted method to evaluate the dynamic behavior of power devices. Considering the high switching-speed capability of wide band-gap devices, the test results are very sensitive to the alignment of voltage and current (V-I) measurements. Also, because of the shoot-through current induced by Cdv/dt (i.e., cross-talk), the switching losses of the nonoperating switch device in a phase-leg must be considered in addition to the operating device. This paper summarizes the key issues of the DPT, including components and layout design, measurement considerations, grounding effects, and data processing. Additionally, a practical method ismore » proposed for phase-leg switching loss evaluation by calculating the difference between the input energy supplied by a dc capacitor and the output energy stored in a load inductor. Based on a phase-leg power module built with 1200-V/50-A SiC MOSFETs, the test results show that this method can accurately evaluate the switching loss of both the upper and lower switches by detecting only one switching current and voltage, and it is immune to V-I timing misalignment errors.« less
Location of the valence band maximum in the band structure of anisotropic 1 T'-ReSe2
NASA Astrophysics Data System (ADS)
Eickholt, P.; Noky, J.; Schwier, E. F.; Shimada, K.; Miyamoto, K.; Okuda, T.; Datzer, C.; Drüppel, M.; Krüger, P.; Rohlfing, M.; Donath, M.
2018-04-01
Transition-metal dichalcogenides (TMDCs) are a focus of current research due to their fascinating optical and electronic properties with possible technical applications. ReSe2 is an interesting material of the TMDC family, with unique anisotropic properties originating from its distorted 1 T structure (1 T '). To develop a fundamental understanding of the optical and electric properties, we studied the underlying electronic structure with angle-resolved photoemission (ARPES) as well as band-structure calculations within the density functional theory (DFT)-local density approximation (LDA) and GdW approximations. We identified the Γ ¯M¯1 direction, which is perpendicular to the a axis, as a distinct direction in k space with the smallest bandwidth of the highest valence band. Using photon-energy-dependent ARPES, two valence band maxima are identified within experimental limits of about 50 meV: one at the high-symmetry point Z , and a second one at a non-high-symmetry point in the Brillouin zone. Thus, the position in k space of the global valence band maximum is undecided experimentally. Theoretically, an indirect band gap is predicted on a DFT-LDA level, while quasiparticle corrections lead to a direct band gap at the Z point.
Flat band in disorder-driven non-Hermitian Weyl semimetals
NASA Astrophysics Data System (ADS)
Zyuzin, A. A.; Zyuzin, A. Yu.
2018-01-01
We study the interplay of disorder and band-structure topology in a Weyl semimetal with a tilted conical spectrum around the Weyl points. The spectrum of particles is given by the eigenvalues of a non-Hermitian matrix, which contains contributions from a Weyl Hamiltonian and complex self-energy due to electron elastic scattering on disorder. We find that the tilt-induced matrix structure of the self-energy gives rise to either a flat band or a nodal line segment at the interface of the electron and hole pockets in the bulk band structure of type-II Weyl semimetals depending on the Weyl cone inclination. For the tilt in a single direction in momentum space, each Weyl point expands into a flat band lying on the plane, which is transverse to the direction of the tilt. The spectrum of the flat band is fully imaginary and is separated from the in-plane dispersive part of the spectrum by the "exceptional nodal ring" where the matrix of the Green's function in momentum-frequency space is defective. The tilt in two directions might shrink a flat band into a nodal line segment with "exceptional edge points." We discuss the connection to the non-Hermitian topological theory.
Transition-metal impurities in semiconductors and heterojunction band lineups
NASA Astrophysics Data System (ADS)
Langer, Jerzy M.; Delerue, C.; Lannoo, M.; Heinrich, Helmut
1988-10-01
The validity of a recent proposal that transition-metal impurity levels in semiconductors may serve as a reference in band alignment in semiconductor heterojunctions is positively verified by using the most recent data on band offsets in the following lattice-matched heterojunctions: Ga1-xAlxAs/GaAs, In1-xGaxAsyP1-y/InP, In1-xGaxP/GaAs, and Cd1-xHgxTe/CdTe. The alignment procedure is justified theoretically by showing that transition-metal energy levels are effectively pinned to the average dangling-bond energy level, which serves as the reference level for the heterojunction band alignment. Experimental and theoretical arguments showing that an increasingly popular notion on transition-metal energy-level pinning to the vacuum level is unjustified and must be abandoned in favor of the internal-reference rule proposed recently [J. M. Langer and H. Heinrich, Phys. Rev. Lett. 55, 1414 (1985)] are presented.
NASA Astrophysics Data System (ADS)
Gaman, V. I.; Almaev, A. V.; Sevast'yanov, E. Yu.; Maksimova, N. K.
2015-06-01
The results of studying the dependence of the energy band bending at the interface of contacting SnO2 microcrystals in the polycrystalline tin dioxide film on the humidity level of clean air and hydrogen concentration in the gas mixture of clean air + H2 are presented. The experimental results showed that the bending of energy bands in SnO2 is decreased under exposure to the water vapors and molecular hydrogen. The presence of two types of the adsorption centers for water molecules on the surface of SnO2 is found. It is shown that at the absolute humidity of the gas mixture above 12 g/m3, the H2O and H2 molecules are adsorbed on the same centers, whose surface density is of 1012 сm-2 at a concentration of donor impurity in SnO2 equal to 1018 сm-3.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Croll, Bryce; Jayawardhana, Ray; Fortney, Jonathan J.
2010-08-01
We present H- and Ks-band photometry bracketing the secondary eclipse of the hot Jupiter TrES-3b using the Wide-field Infrared Camera on the Canada-France-Hawaii Telescope. We detect the secondary eclipse of TrES-3b with a depth of 0.133{sup +0.018}{sub -0.016}% in the Ks band (8{sigma})-a result that is in sharp contrast to the eclipse depth reported by de Mooij and Snellen. We do not detect its thermal emission in the H band, but place a 3{sigma} limit of 0.051% on the depth of the secondary eclipse in this band. A secondary eclipse of this depth in Ks requires very efficient day-to-nightside redistributionmore » of heat and nearly isotropic reradiation, a conclusion that is in agreement with longer wavelength, mid-infrared Spitzer observations. Our 3{sigma} upper limit on the depth of our H-band secondary eclipse also argues for very efficient redistribution of heat and suggests that the atmospheric layer probed by these observations may be well homogenized. However, our H-band upper limit is so constraining that it suggests the possibility of a temperature inversion at depth, or an absorbing molecule, such as methane, that further depresses the emitted flux at this wavelength. The combination of our near-infrared measurements and those obtained with Spitzer suggests that TrES-3b displays a near-isothermal dayside atmospheric temperature structure, whose spectrum is well approximated by a blackbody. We emphasize that our strict H-band limit is in stark disagreement with the best-fit atmospheric model that results from longer wavelength observations only, thus highlighting the importance of near-infrared observations at multiple wavelengths, in addition to those returned by Spitzer in the mid-infrared, to facilitate a comprehensive understanding of the energy budgets of transiting exoplanets.« less
Razjivin, A P; Lukashev, E P; Kompanets, V O; Kozlovsky, V S; Ashikhmin, A A; Chekalin, S V; Moskalenko, A A; Paschenko, V Z
2017-09-01
Pathways of intramolecular conversion and intermolecular electronic excitation energy transfer (EET) in the photosynthetic apparatus of purple bacteria remain subject to debate. Here we experimentally tested the possibility of EET from the bacteriochlorophyll (BChl) Soret band to the singlet S 2 level of carotenoids using femtosecond pump-probe measurements and steady-state fluorescence excitation and absorption measurements in the near-ultraviolet and visible spectral ranges. The efficiency of EET from the Soret band of BChl to S 2 of the carotenoids in light-harvesting complex LH2 from the purple bacterium Ectothiorhodospira haloalkaliphila appeared not to exceed a few percent.
Excitonic and band-band transitions of Cu2ZnSiS4 determined from reflectivity spectra
NASA Astrophysics Data System (ADS)
Guc, M.; Levcenko, S.; Dermenji, L.; Gurieva, G.; Schorr, S.; Syrbu, N. N.; Arushanov, E.
2014-07-01
Exciton spectra of Cu2ZnSiS4 single crystals are investigated by reflection spectroscopy at 10 and 300 K for light polarized perpendicular (E⊥c) and parallel (E∥c) to the optical axis. The parameters of the excitons and dielectric constant are determined. The free carriers effective masses have been estimated. The room temperature reflectivity spectra at photon energies higher than the fundamental band gap in the polarization Е⊥с and E∥с were measured and related to the electronic band structure of Cu2ZnSiS4.
Band structures in near spherical 138Ce
NASA Astrophysics Data System (ADS)
Bhattacharjee, T.; Chanda, S.; Bhattacharyya, S.; Basu, S. K.; Bhowmik, R. K.; Das, J. J.; Pramanik, U. Datta; Ghugre, S. S.; Madhavan, N.; Mukherjee, A.; Mukherjee, G.; Muralithar, S.; Singh, R. P.
2009-06-01
The high spin states of N=80138Ce have been populated in the fusion evaporation reaction 130Te( 12C, 4n) 138Ce at E=65 MeV. The γ transitions belonging to various band structures were detected and characterized using an array of five Clover Germanium detectors. The level scheme has been established up to a maximum spin and excitation energy of 23 ℏ and 9511.3 keV, respectively, by including 53 new transitions. The negative parity ΔI=1 band, developed on the 6536.3 keV 15 level, has been conjectured to be a magnetic rotation band following a semiclassical analysis and comparing the systematics of similar bands in the neighboring nuclei. The said band is proposed to have a four quasiparticle configuration of [πgh]⊗[. Other band structures are interpreted in terms of multi-quasiparticle configurations, based on Total Routhian Surface (TRS) calculations. For the low and medium spin states, a shell model calculation using a realistic two body interaction has been performed using the code OXBASH.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Dileep, K., E-mail: dileep@jncasr.ac.in, E-mail: ranjan@jncasr.ac.in; Sahu, R.; Datta, R., E-mail: dileep@jncasr.ac.in, E-mail: ranjan@jncasr.ac.in
2016-03-21
Layer specific direct measurement of optical band gaps of two important van der Waals compounds, MoS{sub 2} and ReS{sub 2}, is performed at nanoscale by high resolution electron energy loss spectroscopy. For monolayer MoS{sub 2}, the twin excitons (1.8 and 1.95 eV) originating at the K point of the Brillouin zone are observed. An indirect band gap of 1.27 eV is obtained from the multilayer regions. Indirect to direct band gap crossover is observed which is consistent with the previously reported strong photoluminescence from the monolayer MoS{sub 2}. For ReS{sub 2}, the band gap is direct, and a value of 1.52 andmore » 1.42 eV is obtained for the monolayer and multilayer, respectively. The energy loss function is dominated by features due to high density of states at both the valence and conduction band edges, and the difference in analyzing band gap with respect to ZnO is highlighted. Crystalline 1T ReS{sub 2} forms two dimensional chains like superstructure due to the clustering between four Re atoms. The results demonstrate the power of HREELS technique as a nanoscale optical absorption spectroscopy tool.« less
Use of IRI to Model the Effect of Ionosphere Emission on Earth Remote Sensing at L-Band
NASA Technical Reports Server (NTRS)
Abraham, Saji; LeVine, David M.
2004-01-01
Microwave remote sensing in the window at 1.413 GHz (L-band) set aside for passive use only is important for monitoring sea surface salinity and soil moisture. These parameters are important for understanding ocean dynamics and energy exchange between the surface and atmosphere, and both NASA and ESA plan to launch satellite sensors to monitor these parameters at L-band (Aquarius, Hydros and SMOS). The ionosphere is an important source of error for passive remote sensing at this frequency. In addition to Faraday rotation, emission from the ionosphere is also a potential source of error at L-band. As an aid for correcting for emission, a regression model is presented that relates ionosphere emission to the integrated electron density (TEC). The goal is to use TEC from sources such as TOPEX, JASON or GPS to obtain estimates of emission over the oceans where the electron density profiles needed to compute emission are not available. In addition, data will also be presented to evaluate the use of the IRI for computing emission over the ocean.
Design study of an S-band RF cavity of a dual-energy electron LINAC for the CIS
NASA Astrophysics Data System (ADS)
Lee, Byeong-No; Park, Hyungdal; Song, Ki-baek; Li, Yonggui; Lee, Byung Cheol; Cha, Sung-su; Lee, Jong-Chul; Shin, Seung-Wook; Chai, Jong-seo
2014-01-01
The design of a resonance frequency (RF) cavity for the dual-energy S-band electron linear accelerator (LINAC) has been carried out for the cargo inspection system (CIS). This Standing-wave-type RF cavity is operated at a frequency under the 2856-MHz resonance frequency and generates electron beams of 9 MeV (high mode) and 6 MeV (low mode). The electrons are accelerated from the initial energy of the electron gun to the target energy (9 or 6 MeV) inside the RF cavity by using the RF power transmitted from a 5.5-MW-class klystron. Then, electron beams with a 1-kW average power (both high mode and low mode) bombard an X-ray target a 2-mm spot size. The proposed accelerating gradient was 13 MV/m, and the designed Q value was about 7100. On going research on 15-MeV non-destructive inspections for military or other applications is presented.
Chiral geometry in multiple chiral doublet bands
NASA Astrophysics Data System (ADS)
Zhang, Hao; Chen, Qibo
2016-02-01
The chiral geometry of multiple chiral doublet bands with identical configuration is discussed for different triaxial deformation parameters γ in the particle rotor model with . The energy spectra, electromagnetic transition probabilities B(M1) and B(E2), angular momenta, and K-distributions are studied. It is demonstrated that the chirality still remains not only in the yrast and yrare bands, but also in the two higher excited bands when γ deviates from 30°. The chiral geometry relies significantly on γ, and the chiral geometry of the two higher excited partner bands is not as good as that of the yrast and yrare doublet bands. Supported by Plan Project of Beijing College Students’ Scientific Research and Entrepreneurial Action, Major State 973 Program of China (2013CB834400), National Natural Science Foundation of China (11175002, 11335002, 11375015, 11461141002), National Fund for Fostering Talents of Basic Science (NFFTBS) (J1103206), Research Fund for Doctoral Program of Higher Education (20110001110087) and China Postdoctoral Science Foundation (2015M580007)
A Multi-Band Uncertainty Set Based Robust SCUC With Spatial and Temporal Budget Constraints
DOE Office of Scientific and Technical Information (OSTI.GOV)
Dai, Chenxi; Wu, Lei; Wu, Hongyu
2016-11-01
The dramatic increase of renewable energy resources in recent years, together with the long-existing load forecast errors and increasingly involved price sensitive demands, has introduced significant uncertainties into power systems operation. In order to guarantee the operational security of power systems with such uncertainties, robust optimization has been extensively studied in security-constrained unit commitment (SCUC) problems, for immunizing the system against worst uncertainty realizations. However, traditional robust SCUC models with single-band uncertainty sets may yield over-conservative solutions in most cases. This paper proposes a multi-band robust model to accurately formulate various uncertainties with higher resolution. By properly tuning band intervalsmore » and weight coefficients of individual bands, the proposed multi-band robust model can rigorously and realistically reflect spatial/temporal relationships and asymmetric characteristics of various uncertainties, and in turn could effectively leverage the tradeoff between robustness and economics of robust SCUC solutions. The proposed multi-band robust SCUC model is solved by Benders decomposition (BD) and outer approximation (OA), while taking the advantage of integral property of the proposed multi-band uncertainty set. In addition, several accelerating techniques are developed for enhancing the computational performance and the convergence speed. Numerical studies on a 6-bus system and the modified IEEE 118-bus system verify the effectiveness of the proposed robust SCUC approach for enhancing uncertainty modeling capabilities and mitigating conservativeness of the robust SCUC solution.« less
NASA Technical Reports Server (NTRS)
Kratz, David P.; Chou, Ming-Dah; Yan, Michael M.-H.
1993-01-01
Fast and accurate parameterizations have been developed for the transmission functions of the CO2 9.4- and 10.4-micron bands, as well as the CFC-11, CFC-12, and CFC-22 bands located in the 8-12-micron region. The parameterizations are based on line-by-line calculations of transmission functions for the CO2 bands and on high spectral resolution laboratory measurements of the absorption coefficients for the CFC bands. Also developed are the parameterizations for the H2O transmission functions for the corresponding spectral bands. Compared to the high-resolution calculations, fluxes at the tropopause computed with the parameterizations are accurate to within 10 percent when overlapping of gas absorptions within a band is taken into account. For individual gas absorption, the accuracy is of order 0-2 percent. The climatic effects of these trace gases have been studied using a zonally averaged multilayer energy balance model, which includes seasonal cycles and a simplified deep ocean. With the trace gas abundances taken to follow the Intergovernmental Panel on Climate Change Low Emissions 'B' scenario, the transient response of the surface temperature is simulated for the period 1900-2060.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Repins, Ingrid; Mansfield, Lorelle; Kanevce, Ana
Band-edge effects -- including grading, electrostatic fluctuations, bandgap fluctuations, and band tails -- affect chalcogenide device efficiency. These effects now require more careful consideration as efficiencies increase beyond 20%. Several aspects of the relationships between band-edge phenomena and device performance for NREL absorbers are examined. For Cu(In,Ga)Se2 devices, recent increases in diffusion length imply changes to optimum bandgap profile. The origin, impact, and modification of electrostatic and bandgap fluctuations are also discussed. The application of the same principles to devices based on CdTe, kesterites, and emerging absorbers (Cu2SnS3, CuSbS2), considering differences in materials properties and defect formation energies, is examined.
Studying Notable Debris Disks In L-band with the Vortex Coronagraph
NASA Astrophysics Data System (ADS)
Patel, Rahul; Beichman, Charles; Choquet, Elodie; Mawet, Dimitri; Meshkat, Tiffany; ygouf, marie
2018-01-01
Resolved images of circumstellar disks are integral to our understanding of planetary systems, as the micron sized dust grains that comprise the disk are born from the collisional grinding of planetesimals by larger planets in the system. Resolved images are essential to determining grain properties that might otherwise be degenerate from analyzing the star’s spectral energy distribution. Though the majority of scattered light images of disks are obtained at optical and near-IR wavelengths, only a few have been imaged in the thermal IR at L-band. Probing the spatial features of disks at L-band opens up the possibility of constraining additional grain properties, such as water/ice features.Here, we present the results of our effort to image the disks of a few notable systems at L-band using the NIRC2 imager at Keck, in conjunction with the newly commissioned vector vortex coronagraph. The vortex, along with the QACITS fine guiding program installed at Keck, enables us to probe the small ~lambda/D angular separations of these systems, and reach contrasts of 1/100,000. We will discuss the systems that have been imaged, and lessons learned while imaging in L-band. Our analysis of these disks reveal features previously unseen, and will lay the foundation for followup studies by missions such as JWST at similar wavelengths from space.
Band alignment at the Cu2ZnSn(SxSe1-x)4/CdS interface
NASA Astrophysics Data System (ADS)
Haight, Richard; Barkhouse, Aaron; Gunawan, Oki; Shin, Byungha; Copel, Matt; Hopstaken, Marinus; Mitzi, David B.
2011-06-01
Energy band alignments between CdS and Cu2ZnSn(SxSe1-x)4 (CZTSSe) grown via solution-based and vacuum-based deposition routes were studied as a function of the [S]/[S+Se] ratio with femtosecond laser ultraviolet photoelectron spectroscopy, photoluminescence, medium energy ion scattering, and secondary ion mass spectrometry. Band bending in the underlying CZTSSe layer was measured via pump/probe photovoltage shifts of the photoelectron spectra and offsets were determined with photoemission under flat band conditions. Increasing the S content of the CZTSSe films produces a valence edge shift to higher binding energy and increases the CZTSSe band gap. In all cases, the CdS conduction band offsets were spikes.
NASA Astrophysics Data System (ADS)
Yang, C. H.; Shen, G. Z.; Ao, Z. M.; Xu, Y. W.
2016-09-01
Using the transfer matrix method, the carrier tunneling properties in graphene superlattice generated by the Thue-Morse sequence and Kolakoski sequence are investigated. The positions and strength of the transmission can be modulated by the barrier structures, the incident energy and angle, the height and width of the potential. These carriers tunneling characteristic can be understood from the energy band structures in the corresponding superlattice systems and the carrier’s states in well/barriers. The transmission peaks above the critical incident angle rely on the carrier’s resonance in the well regions. The structural diversity can modulate the electronic and transport properties, thus expanding its applications.
Lehrer, H; Weise, A; Michel, S; Starke, H; Mrasek, K; Heller, A; Kuechler, A; Claussen, U; Liehr, T
2004-01-01
To clarify the nature of chromosome sub-bands in more detail, the multicolor banding (MCB) probe-set for chromosome 5 was hybridized to normal metaphase spreads of GTG band levels at approximately 850, approximately 550, approximately 400 and approximately 300. It could be observed that as the chromosomes became shorter, more of the initial 39 MCB pseudo-colors disappeared, ending with 18 MCB pseudo-colored bands at the approximately 300-band level. The hierarchically organized splitting of bands into sub-bands was analyzed by comparing the disappearance or appearance of pseudo-color bands of the four different band levels. The regions to split first are telomere-near, centromere-near and in 5q23-->q31, followed by 5p15, 5p14, and all GTG dark bands in 5q apart from 5q12 and 5q32 and finalized by sub-band building in 5p15.2, 5q21.2-->q21.3, 5q23.1 and 5q34. The direction of band splitting towards the centromere or the telomere could be assigned to each band separately. Pseudo-colors assigned to GTG-light bands were resistant to band splitting. These observations are in concordance with the recently proposed concept of chromosome region-specific protein swelling. Copyright 2003 S. Karger AG, Basel
Sinc or Sine? The Band Excitation Method and Energy Dissipation Measurements by SPM
NASA Astrophysics Data System (ADS)
Jesse, Stephen; Kalinin, Sergei
2007-03-01
Quantitative energy dissipation measurements in force-based SPM is the key to understanding fundamental mechanisms of energy transformations on the nanoscale, molecular, and atomic levels. To date, these measurements are invariably based on either phase and amplitude detection in constant frequency mode, or as amplitude detection in frequency-tracking mode. The analysis in both cases implicitly assumes that amplitude is inversely proportional to the Q-factor and is not applicable when the driving force is position dependent, as is the case for virtually all SPM measurements. All current SPM methods sample only a single frequency in the Fourier domain of the system. Thus, only two out of three parameters (amplitude, resonance, and Q) can be determined independently. Here, we developed and implemented a new approach for SPM detection based on the excitation and detection of a signal having a finite amplitude over a selected region in the Fourier domain and allows simultaneous determination of all three parameters. This band excitation method allows acquisition of the local spectral response at a 10ms/pixel rate, compatible with fast imaging, and is illustrated for electromechanical and mechanical imaging and force-distance spectroscopy. The BE method thus represents a new paradigm in SPM, beyond traditional single-frequency excitation.
Band-like transport in highly crystalline graphene films from defective graphene oxides.
Negishi, R; Akabori, M; Ito, T; Watanabe, Y; Kobayashi, Y
2016-07-01
The electrical transport property of the reduced graphene oxide (rGO) thin-films synthesized from defective GO through thermal treatment in a reactive ethanol environment at high temperature above 1000 °C shows a band-like transport with small thermal activation energy (Ea~10 meV) that occurs during high carrier mobility (~210 cm(2)/Vs). Electrical and structural analysis using X-ray absorption fine structure, the valence band photo-electron, Raman spectra and transmission electron microscopy indicate that a high temperature process above 1000 °C in the ethanol environment leads to an extraordinary expansion of the conjugated π-electron system in rGO due to the efficient restoration of the graphitic structure. We reveal that Ea decreases with the increasing density of states near the Fermi level due to the expansion of the conjugated π-electron system in the rGO. This means that Ea corresponds to the energy gap between the top of the valence band and the bottom of the conduction band. The origin of the band-like transport can be explained by the carriers, which are more easily excited into the conduction band due to the decreasing energy gap with the expansion of the conjugated π-electron system in the rGO.
Band-like transport in highly crystalline graphene films from defective graphene oxides
NASA Astrophysics Data System (ADS)
Negishi, R.; Akabori, M.; Ito, T.; Watanabe, Y.; Kobayashi, Y.
2016-07-01
The electrical transport property of the reduced graphene oxide (rGO) thin-films synthesized from defective GO through thermal treatment in a reactive ethanol environment at high temperature above 1000 °C shows a band-like transport with small thermal activation energy (Ea~10 meV) that occurs during high carrier mobility (~210 cm2/Vs). Electrical and structural analysis using X-ray absorption fine structure, the valence band photo-electron, Raman spectra and transmission electron microscopy indicate that a high temperature process above 1000 °C in the ethanol environment leads to an extraordinary expansion of the conjugated π-electron system in rGO due to the efficient restoration of the graphitic structure. We reveal that Ea decreases with the increasing density of states near the Fermi level due to the expansion of the conjugated π-electron system in the rGO. This means that Ea corresponds to the energy gap between the top of the valence band and the bottom of the conduction band. The origin of the band-like transport can be explained by the carriers, which are more easily excited into the conduction band due to the decreasing energy gap with the expansion of the conjugated π-electron system in the rGO.
Yang, Chen; Zhao, Zong-Yan
2017-11-08
In the field of photocatalysis, constructing hetero-structures is an efficient strategy to improve quantum efficiency. However, a lattice mismatch often induces unfavorable interfacial states that can act as recombination centers for photo-generated electron-hole pairs. If the hetero-structure's components have the same crystal structure, this disadvantage can be easily avoided. Conversely, in the process of loading a noble metal co-catalyst onto the TiO 2 surface, a transition layer of noble metal oxides is often formed between the TiO 2 layer and the noble metal layer. In this article, interfacial properties of hetero-structures composed of a noble metal dioxide and TiO 2 with a rutile crystal structure have been systematically investigated using first-principles calculations. In particular, the Schottky barrier height, band bending, and energy band alignments are studied to provide evidence for practical applications. In all cases, no interfacial states exist in the forbidden band of TiO 2 , and the interfacial formation energy is very small. A strong internal electric field generated by interfacial electron transfer leads to an efficient separation of photo-generated carriers and band bending. Because of the differences in the atomic properties of the components, RuO 2 /TiO 2 and OsO 2 /TiO 2 hetero-structures demonstrate band dividing, while RhO 2 /TiO 2 and IrO 2 /TiO 2 hetero-structures have a pseudo-gap near the Fermi energy level. Furthermore, NMO 2 /TiO 2 hetero-structures show upward band bending. Conversely, RuO 2 /TiO 2 and OsO 2 /TiO 2 hetero-structures present a relatively strong infrared light absorption, while RhO 2 /TiO 2 and IrO 2 /TiO 2 hetero-structures show an obvious absorption edge in the visible light region. Overall, considering all aspects of their properties, RuO 2 /TiO 2 and OsO 2 /TiO 2 hetero-structures are more suitable than others for improving the photocatalytic performance of TiO 2 . These findings will provide useful information
Passive band-gap reconfiguration born from bifurcation asymmetry.
Bernard, Brian P; Mann, Brian P
2013-11-01
Current periodic structures are constrained to have fixed energy transmission behavior unless active control or component replacement is used to alter their wave propagation characteristics. The introduction of nonlinearity to generate multiple stable equilibria is an alternative strategy for realizing distinct energy propagation behaviors. We investigate the creation of a reconfigurable band-gap system by implementing passive switching between multiple stable states of equilibrium, to alter the level of energy attenuation in response to environmental stimuli. The ability to avoid potentially catastrophic loads is demonstrated by tailoring the bandpass and band-gap regions to coalesce for two stable equilibria and varying an external load parameter to trigger a bifurcation. The proposed phenomenon could be utilized in remote or autonomous applications where component modifications and active control are impractical.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Singh, B.; Firestone, R B.; Chu, S Y.F.
As part of a committment to maintain nuclear structure data as current as possible in the Evaluated Nuclear Structure Data File (ENSDF) and the Table of Isotopes, the author have been updating the information on superdeformed and hyperdeformed nuclear bands. As of February, 1996, they have compiled data for 161 superdeformed bands and 47 fission isomers identified in 93 nuclides for this publication. This is an increase of 75 superdeformed bands and 20 new nuclides since the first edition in 1994. Partial data for superdeformed bands and fission isomers are shown in the band drawings. For each nuclide there ismore » a complete level table listing both normal (taken from the ENSDF file) and superdeformed band assignments; level energy, spin, parity, half-life, magnetic moments, decay branchings; and the energies, final levels, relative intensities, multipolarities, and mixing ratios for transitions deexciting each level. Mass excess, decay energies, and proton and neutron separation energies are also provided from the evaluation of Audi and Wapstra. For superdeformed and hyperdeformed bands they provide the following quantities: level energies; level half-lives; level spins; and gamma ray energies.« less
Ackermann, M.; Asano, K.; Atwood, W. B.; ...
2010-05-27
We present detailed observations of the bright short-hard gamma-ray burst GRB 090510 made with the Gamma-ray Burst Monitor (GBM) and Large Area Telescope (LAT) on board the Fermi observatory. GRB 090510 is the first burst detected by the LAT that shows strong evidence for a deviation from a Band spectral fitting function during the prompt emission phase. The time-integrated spectrum is fit by the sum of a Band function with E peak = 3.9 ± 0.3 MeV, which is the highest yet measured, and a hard power-law component with photon index –1.62 ± 0.03 that dominates the emission below ≈20more » keV and above ≈100 MeV. The onset of the high-energy spectral component appears to be delayed by ~0.1 s with respect to the onset of a component well fit with a single Band function. A faint GBM pulse and a LAT photon are detected 0.5 s before the main pulse. During the prompt phase, the LAT detected a photon with energy 30.5 +5.8 –2.6 GeV, the highest ever measured from a short GRB. Observation of this photon sets a minimum bulk outflow Lorentz factor, Γ≳ 1200, using simple γγ opacity arguments for this GRB at redshift z = 0.903 and a variability timescale on the order of tens of ms for the ≈100 keV-few MeV flux. Stricter high confidence estimates imply Γ ≳ 1000 and still require that the outflows powering short GRBs are at least as highly relativistic as those of long-duration GRBs. Finally, implications of the temporal behavior and power-law shape of the additional component on synchrotron/synchrotron self-Compton, external-shock synchrotron, and hadronic models are considered.« less
78 FR 42701 - Improving Public Safety Communications in the 800 MHz Band
Federal Register 2010, 2011, 2012, 2013, 2014
2013-07-17
...] Improving Public Safety Communications in the 800 MHz Band AGENCY: Federal Communications Commission. ACTION...-901 MHz/935- 940 MHz band (900 MHz B/ILT Band) to allow a qualified entity to file an application for..., manufacturing, energy) to non-commercial (e.g., clerical, educational, philanthropic, medical). In 2004, the...
NASA Astrophysics Data System (ADS)
Rodríguez-Magdaleno, K. A.; Pérez-Álvarez, R.; Martínez-Orozco, J. C.; Pernas-Salomón, R.
2017-04-01
In this work the generation of an intermediate band of energy levels from multi-shell spherical GaAs /AlxGa1-x As quantum dot shells-size distribution is reported. Within the effective mass approximation the electronic structure of a GaAs spherical quantum-dot surrounded by one, two and three shells is studied in detail using a numerically stable transfer matrix method. We found that a shells-size distribution characterized by continuously wider GaAs domains is a suitable mechanism to generate the intermediate band whose width is also dependent on the Aluminium concentration x. Our results suggest that this effective mechanism can be used for the design of wider intermediate band than reported in other quantum systems with possible solar cells enhanced performance.
Temperature-dependent internal photoemission probe for band parameters
NASA Astrophysics Data System (ADS)
Lao, Yan-Feng; Perera, A. G. Unil
2012-11-01
The temperature-dependent characteristic of band offsets at the heterojunction interface was studied by an internal photoemission (IPE) method. In contrast to the traditional Fowler method independent of the temperature (T), this method takes into account carrier thermalization and carrier/dopant-induced band-renormalization and band-tailing effects, and thus measures the band-offset parameter at different temperatures. Despite intensive studies in the past few decades, the T dependence of this key band parameter is still not well understood. Re-examining a p-type doped GaAs emitter/undoped AlxGa1-xAs barrier heterojunction system disclosed its previously ignored T dependency in the valence-band offset, with a variation up to ˜-10-4 eV/K in order to accommodate the difference in the T-dependent band gaps between GaAs and AlGaAs. Through determining the Fermi energy level (Ef), IPE is able to distinguish the impurity (IB) and valence bands (VB) of extrinsic semiconductors. One important example is to determine Ef of dilute magnetic semiconductors such as GaMnAs, and to understand whether it is in the IB or VB.
Sizable band gap in organometallic topological insulator
NASA Astrophysics Data System (ADS)
Derakhshan, V.; Ketabi, S. A.
2017-01-01
Based on first principle calculation when Ceperley-Alder and Perdew-Burke-Ernzerh type exchange-correlation energy functional were adopted to LSDA and GGA calculation, electronic properties of organometallic honeycomb lattice as a two-dimensional topological insulator was calculated. In the presence of spin-orbit interaction bulk band gap of organometallic lattice with heavy metals such as Au, Hg, Pt and Tl atoms were investigated. Our results show that the organometallic topological insulator which is made of Mercury atom shows the wide bulk band gap of about ∼120 meV. Moreover, by fitting the conduction and valence bands to the band-structure which are produced by Density Functional Theory, spin-orbit interaction parameters were extracted. Based on calculated parameters, gapless edge states within bulk insulating gap are indeed found for finite width strip of two-dimensional organometallic topological insulators.
Modification of the band offset in boronitrene
NASA Astrophysics Data System (ADS)
Obodo, K. O.; Andrew, R. C.; Chetty, N.
2011-10-01
Using density functional methods within the generalized gradient approximation implemented in the Quantum Espresso codes, we modify the band offset in a single layer of boronitrene by substituting a double line of carbon atoms. This effectively introduces a line of dipoles at the interface. We considered various junctions of this system within the zigzag and armchair orientations. Our results show that the “zigzag-short” structure is energetically most stable, with a formation energy of 0.502 eV and with a band offset of 1.51 eV. The “zigzag-long” structure has a band offset of 1.99 eV. The armchair structures are nonpolar, while the zigzag-single structures show a charge accumulation for the C-substituted B and charge depletion for the C-substituted N at the junction. Consequently there is no shifting of the bands.
A model for the energy band gap of GaSbxAs1-x and InSbxAs1-x in the whole composition range
NASA Astrophysics Data System (ADS)
Zhao, Chuan-Zhen; Ren, He-Yu; Wei, Tong; Wang, Sha-Sha; Wang, Jun
2018-04-01
The band gap evolutions of GaSbxAs1-x and InSbxAs1-x in the whole composition range are investigated. It is found that the band gap evolutions of GaSbxAs1-x and InSbxAs1-x are determined by two factors. One is the impurity-host interaction in the As-rich and Sb-rich composition ranges. The other is the intraband coupling within the conduction band and separately within the valence band in the moderate composition range. Based on the band gap evolutions of GaSbxAs1-x and InSbxAs1-x, a model is established. In addition, it is found that the impurity-host interaction is determined by not only the mismatches in size and electronegativity between the introduced atoms in the host material and the anions of the host material, but also the difference in electronegativity between the introduced atoms in the host material and the cations of the host material.
Ku-Band rendezvous radar performance computer simulation model
NASA Astrophysics Data System (ADS)
Magnusson, H. G.; Goff, M. F.
1984-06-01
All work performed on the Ku-band rendezvous radar performance computer simulation model program since the release of the preliminary final report is summarized. Developments on the program fall into three distinct categories: (1) modifications to the existing Ku-band radar tracking performance computer model; (2) the addition of a highly accurate, nonrealtime search and acquisition performance computer model to the total software package developed on this program; and (3) development of radar cross section (RCS) computation models for three additional satellites. All changes in the tracking model involved improvements in the automatic gain control (AGC) and the radar signal strength (RSS) computer models. Although the search and acquisition computer models were developed under the auspices of the Hughes Aircraft Company Ku-Band Integrated Radar and Communications Subsystem program office, they have been supplied to NASA as part of the Ku-band radar performance comuter model package. Their purpose is to predict Ku-band acquisition performance for specific satellite targets on specific missions. The RCS models were developed for three satellites: the Long Duration Exposure Facility (LDEF) spacecraft, the Solar Maximum Mission (SMM) spacecraft, and the Space Telescopes.
Ku-Band rendezvous radar performance computer simulation model
NASA Technical Reports Server (NTRS)
Magnusson, H. G.; Goff, M. F.
1984-01-01
All work performed on the Ku-band rendezvous radar performance computer simulation model program since the release of the preliminary final report is summarized. Developments on the program fall into three distinct categories: (1) modifications to the existing Ku-band radar tracking performance computer model; (2) the addition of a highly accurate, nonrealtime search and acquisition performance computer model to the total software package developed on this program; and (3) development of radar cross section (RCS) computation models for three additional satellites. All changes in the tracking model involved improvements in the automatic gain control (AGC) and the radar signal strength (RSS) computer models. Although the search and acquisition computer models were developed under the auspices of the Hughes Aircraft Company Ku-Band Integrated Radar and Communications Subsystem program office, they have been supplied to NASA as part of the Ku-band radar performance comuter model package. Their purpose is to predict Ku-band acquisition performance for specific satellite targets on specific missions. The RCS models were developed for three satellites: the Long Duration Exposure Facility (LDEF) spacecraft, the Solar Maximum Mission (SMM) spacecraft, and the Space Telescopes.
Federal Register 2010, 2011, 2012, 2013, 2014
2012-09-27
...-17-000] Jordan Cove Energy Project LP; Pacific Connector Gas Pipeline LP; Notice of Additional Public..., and 11, 2012, the Federal Energy Regulatory Commission (FERC or Commission) Office of Energy Projects... additional public scoping meetings to take comments on Jordan Cove Energy Project LP's (Jordan Cove) proposed...
Decreasing patient identification band errors by standardizing processes.
Walley, Susan Chu; Berger, Stephanie; Harris, Yolanda; Gallizzi, Gina; Hayes, Leslie
2013-04-01
Patient identification (ID) bands are an essential component in patient ID. Quality improvement methodology has been applied as a model to reduce ID band errors although previous studies have not addressed standardization of ID bands. Our specific aim was to decrease ID band errors by 50% in a 12-month period. The Six Sigma DMAIC (define, measure, analyze, improve, and control) quality improvement model was the framework for this study. ID bands at a tertiary care pediatric hospital were audited from January 2011 to January 2012 with continued audits to June 2012 to confirm the new process was in control. After analysis, the major improvement strategy implemented was standardization of styles of ID bands and labels. Additional interventions included educational initiatives regarding the new ID band processes and disseminating institutional and nursing unit data. A total of 4556 ID bands were audited with a preimprovement ID band error average rate of 9.2%. Significant variation in the ID band process was observed, including styles of ID bands. Interventions were focused on standardization of the ID band and labels. The ID band error rate improved to 5.2% in 9 months (95% confidence interval: 2.5-5.5; P < .001) and was maintained for 8 months. Standardization of ID bands and labels in conjunction with other interventions resulted in a statistical decrease in ID band error rates. This decrease in ID band error rates was maintained over the subsequent 8 months.
Band gap engineering for graphene by using Na{sup +} ions
DOE Office of Scientific and Technical Information (OSTI.GOV)
Sung, S. J.; Lee, P. R.; Kim, J. G.
2014-08-25
Despite the noble electronic properties of graphene, its industrial application has been hindered mainly by the absence of a stable means of producing a band gap at the Dirac point (DP). We report a new route to open a band gap (E{sub g}) at DP in a controlled way by depositing positively charged Na{sup +} ions on single layer graphene formed on 6H-SiC(0001) surface. The doping of low energy Na{sup +} ions is found to deplete the π* band of graphene above the DP, and simultaneously shift the DP downward away from Fermi energy indicating the opening of E{sub g}.more » The band gap increases with increasing Na{sup +} coverage with a maximum E{sub g}≥0.70 eV. Our core-level data, C 1s, Na 2p, and Si 2p, consistently suggest that Na{sup +} ions do not intercalate through graphene, but produce a significant charge asymmetry among the carbon atoms of graphene to cause the opening of a band gap. We thus provide a reliable way of producing and tuning the band gap of graphene by using Na{sup +} ions, which may play a vital role in utilizing graphene in future nano-electronic devices.« less
NASA Astrophysics Data System (ADS)
Stephenson, Anna; Gomes, Kenjiro K.; Ko, Wonhee; Mar, Warren; Manoharan, Hari C.
2014-03-01
Molecular graphene is a nanoscale artificial lattice composed of carbon monoxide molecules arranged one by one, realizing a dream of exploring exotic quantum materials by design. This assembly is done by atomic manipulation with a scanning tunneling microscope (STM) on a Cu(111) surface. To directly probe the transformation of normal surface state electrons into massless Dirac fermions, we map the momentum space dispersion through the Fourier analysis of quasiparticle scattering maps acquired at different energies with the STM. The Fourier analysis not only bridges the real-space and momentum-space data but also reveals the chiral nature of those quasiparticles, through a set of selection rules of allowed scattering involving the pseudospin and valley degrees of freedom. The graphene-like band structure can be reshaped with simple alterations to the lattice, such as the addition of a strain. We analyze the effect on the momentum space band structure of multiple types of strain on our system. Supported by DOE, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under contract DE-AC02-76SF00515.
scarlet: Source separation in multi-band images by Constrained Matrix Factorization
NASA Astrophysics Data System (ADS)
Melchior, Peter; Moolekamp, Fred; Jerdee, Maximilian; Armstrong, Robert; Sun, Ai-Lei; Bosch, James; Lupton, Robert
2018-03-01
SCARLET performs source separation (aka "deblending") on multi-band images. It is geared towards optical astronomy, where scenes are composed of stars and galaxies, but it is straightforward to apply it to other imaging data. Separation is achieved through a constrained matrix factorization, which models each source with a Spectral Energy Distribution (SED) and a non-parametric morphology, or multiple such components per source. The code performs forced photometry (with PSF matching if needed) using an optimal weight function given by the signal-to-noise weighted morphology across bands. The approach works well if the sources in the scene have different colors and can be further strengthened by imposing various additional constraints/priors on each source. Because of its generic utility, this package provides a stand-alone implementation that contains the core components of the source separation algorithm. However, the development of this package is part of the LSST Science Pipeline; the meas_deblender package contains a wrapper to implement the algorithms here for the LSST stack.
Silicone rubber band for laparoscopic tubal sterilization.
Ansari, A H; Sealey, R M; Gay, J W; Kang, I
1977-12-01
In 1974, Yoon and associates (Am J Obstet Gynecol 120:132, 1974) described a new approach in which laparoscopic tubal occlusion was accomplished by utilizing the silicone rubber band technique. Recognizing the great advantages of the new technique in eliminating potential thermal injury associated with electrocoagulation, the authors have utilized the Yoon silicone rubber band technique in these institutions over the past 20 months. Thus far the procedure has been performed in 304 patients without any major complications. In the hope of eliminating and/or reducing possible pregnancy-failure rates, in 110 cases. In addition to application of the silicone band, the tube within the band was transected with non-electrical Seigler biopsy forceps. This, we believe, should provide an interesting long-term comparative study.
Manzi, Aurora; Tong, Yu; Feucht, Julius; Yao, En-Ping; Polavarapu, Lakshminarayana; Urban, Alexander S; Feldmann, Jochen
2018-04-17
Multi-photon absorption and multiple exciton generation represent two separate strategies for enhancing the conversion efficiency of light into usable electric power. Targeting below-band-gap and above-band-gap energies, respectively, to date these processes have only been demonstrated independently. Here we report the combined interaction of both nonlinear processes in CsPbBr 3 perovskite nanocrystals. We demonstrate nonlinear absorption over a wide range of below-band-gap excitation energies (0.5-0.8 E g ). Interestingly, we discover high-order absorption processes, deviating from the typical two-photon absorption, at specific energetic positions. These energies are associated with a strong enhancement of the photoluminescence intensity by up to 10 5 . The analysis of the corresponding energy levels reveals that the observed phenomena can be ascribed to the resonant creation of multiple excitons via the absorption of multiple below-band-gap photons. This effect may open new pathways for the efficient conversion of optical energy, potentially also in other semiconducting materials.
A note on anomalous band-gap variations in semiconductors with temperature
NASA Astrophysics Data System (ADS)
Chakraborty, P. K.; Mondal, B. N.
2018-03-01
An attempt is made to theoretically study the band-gap variations (ΔEg) in semiconductors with temperature following the works, did by Fan and O'Donnell et al. based on thermodynamic functions. The semiconductor band-gap reflects the bonding energy. An increase in temperature changes the chemical bondings, and electrons are promoted from valence band to conduction band. In their analyses, they made several approximations with respect to temperature and other fitting parameters leading to real values of band-gap variations with linear temperature dependences. In the present communication, we have tried to re-analyse the works, specially did by Fan, and derived an analytical model for ΔEg(T). Because, it was based on the second-order perturbation technique of thermodynamic functions. Our analyses are made without any approximations with respect to temperatures and other fitting parameters mentioned in the text, leading to a complex functions followed by an oscillating nature of the variations of ΔEg. In support of the existence of the oscillating energy band-gap variations with temperature in a semiconductor, possible physical explanations are provided to justify the experimental observation for various materials.
Local band gap measurements by VEELS of thin film solar cells.
Keller, Debora; Buecheler, Stephan; Reinhard, Patrick; Pianezzi, Fabian; Pohl, Darius; Surrey, Alexander; Rellinghaus, Bernd; Erni, Rolf; Tiwari, Ayodhya N
2014-08-01
This work presents a systematic study that evaluates the feasibility and reliability of local band gap measurements of Cu(In,Ga)Se2 thin films by valence electron energy-loss spectroscopy (VEELS). The compositional gradients across the Cu(In,Ga)Se2 layer cause variations in the band gap energy, which are experimentally determined using a monochromated scanning transmission electron microscope (STEM). The results reveal the expected band gap variation across the Cu(In,Ga)Se2 layer and therefore confirm the feasibility of local band gap measurements of Cu(In,Ga)Se2 by VEELS. The precision and accuracy of the results are discussed based on the analysis of individual error sources, which leads to the conclusion that the precision of our measurements is most limited by the acquisition reproducibility, if the signal-to-noise ratio of the spectrum is high enough. Furthermore, we simulate the impact of radiation losses on the measured band gap value and propose a thickness-dependent correction. In future work, localized band gap variations will be measured on a more localized length scale to investigate, e.g., the influence of chemical inhomogeneities and dopant accumulations at grain boundaries.
NASA Astrophysics Data System (ADS)
Wang, Zhenyu; Walkup, Daniel; Derry, Philip; Scaffidi, Thomas; Rak, Melinda; Vig, Sean; Kogar, Anshul; Zeljkovic, Ilija; Husain, Ali; Santos, Luiz H.; Wang, Yuxuan; Damascelli, Andrea; Maeno, Yoshiteru; Abbamonte, Peter; Fradkin, Eduardo; Madhavan, Vidya
2017-08-01
The single-layered ruthenate Sr2RuO4 is presented as a potential spin-triplet superconductor with an order parameter that may break time-reversal invariance and host half-quantized vortices with Majorana zero modes. Although the actual nature of the superconducting state is still a matter of controversy, it is believed to condense from a metallic state that is well described by a conventional Fermi liquid. In this work we use a combination of Fourier transform scanning tunnelling spectroscopy (FT-STS) and momentum-resolved electron energy loss spectroscopy (M-EELS) to probe interaction effects in the normal state of Sr2RuO4. Our high-resolution FT-STS data show signatures of the β-band with a distinctly quasi-one-dimensional (1D) character. The band dispersion reveals surprisingly strong interaction effects that dramatically renormalize the Fermi velocity, suggesting that the normal state of Sr2RuO4 is that of a `correlated metal' where correlations are strengthened by the quasi-1D nature of the bands. In addition, kinks at energies of approximately 10 meV, 38 meV and 70 meV are observed. By comparing STM and M-EELS data we show that the two higher energy features arise from coupling with collective modes. The strong correlation effects and the kinks in the quasi-1D bands could provide important information for understanding the superconducting state.
A Simple Band for Gastric Banding.
Broadbent
1993-08-01
The author has noted that flexible gastric bands have occasionally stenosed the gastric stoma or allowed it to dilate. A band was developed using a soft outer silicone rubber tube over a holding mechanism made out of a nylon cable tie passed within the silicone tube. This simple, easily applied band is rigid, resisting scar contracture and dilatation.
Spin splitting in band structures of BiTeX (X=Cl, Br, I) monolayers
NASA Astrophysics Data System (ADS)
Hvazdouski, D. C.; Baranava, M. S.; Stempitsky, V. R.
2018-04-01
In systems with breaking of inversion symmetry a perpendicular electric field arises that interacts with the conduction electrons. It may give rise to electron state splitting even without influence of external magnetic field due to the spin-orbital interaction (SOI). Such a removal of the spin degeneracy is called the Rashba effect. Nanostructure with the Rashba effect can be part of a spin transistor. Spin degeneracy can be realized in a channel from a material of this type without additive of magnetic ions. Lack of additive increases the charge carrier mobility and reliability of the device. Ab initio simulations of BiTeX (X=Cl, Br, I) monolayers have been carried out using VASP wherein implemented DFT method. The study of this structures is of interest because such sort of structures can be used their as spin-orbitronics materials. The crystal parameters of BiTeCl, BiTeBr, BiTeI have been determined by the ionic relaxation and static calculations. It is necessary to note that splitting of energy bands occurs in case of SOI included. The values of the Rashba coefficient aR (in the range from 6.25 to 10.00 eV·Å) have high magnitudes for spintronics materials. Band structure of monolayers structures have ideal Rashba electron gas, i.e. there no other energy states near to Fermi level except Rashba states.
Experimental study of ΔI=1 bands in In111
NASA Astrophysics Data System (ADS)
Banerjee, P.; Ganguly, S.; Pradhan, M. K.; Sharma, H. P.; Muralithar, S.; Singh, R. P.; Bhowmik, R. K.
2011-02-01
The two ΔI=1 bands in In111, built upon the 3461.0 and 4931.8 keV states, have been studied. The bands were populated in the reaction Mo100(F19,α4nγ) at a beam energy of 105 MeV. Mean lifetimes of nine states, four in the first and five in the second band, have been determined for the first time from Doppler shift attenuation data. The deduced B(M1) rates and their behavior as a function of level spin support the interpretation of these bands within the framework of the shears mechanism. The geometrical model of Machiavelli has been used to derive the effective gyromagnetic ratios for the two bands.
Point-Defect Nature of the Ultraviolet Absorption Band in AlN
NASA Astrophysics Data System (ADS)
Alden, D.; Harris, J. S.; Bryan, Z.; Baker, J. N.; Reddy, P.; Mita, S.; Callsen, G.; Hoffmann, A.; Irving, D. L.; Collazo, R.; Sitar, Z.
2018-05-01
We present an approach where point defects and defect complexes are identified using power-dependent photoluminescence excitation spectroscopy, impurity data from SIMS, and density-functional-theory (DFT)-based calculations accounting for the total charge balance in the crystal. Employing the capabilities of such an experimental computational approach, in this work, the ultraviolet-C absorption band at 4.7 eV, as well as the 2.7- and 3.9-eV luminescence bands in AlN single crystals grown via physical vapor transport (PVT) are studied in detail. Photoluminescence excitation spectroscopy measurements demonstrate the relationship between the defect luminescent bands centered at 3.9 and 2.7 eV to the commonly observed absorption band centered at 4.7 eV. Accordingly, the thermodynamic transition energy for the absorption band at 4.7 eV and the luminescence band at 3.9 eV is estimated at 4.2 eV, in agreement with the thermodynamic transition energy for the CN- point defect. Finally, the 2.7-eV PL band is the result of a donor-acceptor pair transition between the VN and CN point defects since nitrogen vacancies are predicted to be present in the crystal in concentrations similar to carbon-employing charge-balance-constrained DFT calculations. Power-dependent photoluminescence measurements reveal the presence of the deep donor state with a thermodynamic transition energy of 5.0 eV, which we hypothesize to be nitrogen vacancies in agreement with predictions based on theory. The charge state, concentration, and type of impurities in the crystal are calculated considering a fixed amount of impurities and using a DFT-based defect solver, which considers their respective formation energies and the total charge balance in the crystal. The presented results show that nitrogen vacancies are the most likely candidate for the deep donor state involved in the donor-acceptor pair transition with peak emission at 2.7 eV for the conditions relevant to PVT growth.
NASA Astrophysics Data System (ADS)
Elyajouri, M.; Lallement, R.; Monreal-Ibero, A.; Capitanio, L.; Cox, N. L. J.
2017-04-01
Aims: Information on the existence and properties of diffuse interstellar bands (DIBs) outside the optical domain is still limited. Additional infra-red (IR) measurements and IR-optical correlative studies are needed to constrain DIB carriers and locate various absorbers in 3D maps of the interstellar matter. Methods: We extended our study of H-band DIBs in Apache Point Observatory Galactic Evolution Experiment (APOGEE) Telluric Standard Star (TSS) spectra. We used the strong λ15273 band to select the most and least absorbed targets. We used individual spectra of the former subsample to extract weaker DIBs, and we searched the two stacked series for differences that could indicate additional bands. High-resolution NARVAL and SOPHIE optical spectra for a subsample of 55 TSS targets were additionally recorded for NIR/optical correlative studies. Results: From the TSS spectra we extract a catalog of measurements of the poorly studied λλ15617, 15653, and 15673 DIBs in ≃300 sightlines, we obtain a first accurate determination of their rest wavelength and constrained their intrinsic width and shape. In addition, we studied the relationship between these weak bands and the strong λ15273 DIB. We provide a first or second confirmation of several other weak DIBs that have been proposed based on different instruments, and we add new constraints on their widths and locations. We finally propose two new DIB candidates. Conclusions: We compared the strength of the λ15273 absorptions with their optical counterparts λλ5780, 5797, 6196, 6283, and 6614. Using the 5797-5780 ratio as a tracer of shielding against the radiation field, we showed that the λ15273 DIB carrier is significantly more abundant in unshielded (σ-type) clouds, and it responds even more strongly than the λ5780 band carrier to the local ionizing field. Full Table 5 is available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http
Harvesting Broad Frequency Band Blue Energy by a Triboelectric-Electromagnetic Hybrid Nanogenerator.
Wen, Zhen; Guo, Hengyu; Zi, Yunlong; Yeh, Min-Hsin; Wang, Xin; Deng, Jianan; Wang, Jie; Li, Shengming; Hu, Chenguo; Zhu, Liping; Wang, Zhong Lin
2016-07-26
Ocean wave associated energy is huge, but it has little use toward world energy. Although such blue energy is capable of meeting all of our energy needs, there is no effective way to harvest it due to its low frequency and irregular amplitude, which may restrict the application of traditional power generators. In this work, we report a hybrid nanogenerator that consists of a spiral-interdigitated-electrode triboelectric nanogenerator (S-TENG) and a wrap-around electromagnetic generator (W-EMG) for harvesting ocean energy. In this design, the S-TENG can be fully isolated from the external environment through packaging and indirectly driven by the noncontact attractive forces between pairs of magnets, and W-EMG can be easily hybridized. Notably, the hybrid nanogenerator could generate electricity under either rotation mode or fluctuation mode to collect energy in ocean tide, current, and wave energy due to the unique structural design. In addition, the characteristics and advantages of outputs indicate that the S-TENG is irreplaceable for harvesting low rotation speeds (<100 rpm) or motion frequencies (<2 Hz) energy, which fits the frequency range for most of the water wave based blue energy, while W-EMG is able to produce larger output at high frequencies (>10 Hz). The complementary output can be maximized and hybridized for harvesting energy in a broad frequency range. Finally, a single hybrid nanogenerator unit was demonstrated to harvest blue energy as a practical power source to drive several LEDs under different simulated water wave conditions. We also proposed a blue energy harvesting system floating on the ocean surface that could simultaneously harvest wind, solar, and wave energy. The proposed hybrid nanogenerator renders an effective and sustainable progress in practical applications of the hybrid nanogenerator toward harvesting water wave energy offered by nature.
Photon ratchet intermediate band solar cells
NASA Astrophysics Data System (ADS)
Yoshida, M.; Ekins-Daukes, N. J.; Farrell, D. J.; Phillips, C. C.
2012-06-01
In this paper, we propose an innovative concept for solar power conversion—the "photon ratchet" intermediate band solar cell (IBSC)—which may increase the photovoltaic energy conversion efficiency of IBSCs by increasing the lifetime of charge carriers in the intermediate state. The limiting efficiency calculation for this concept shows that the efficiency can be increased by introducing a fast thermal transition of carriers into a non-emissive state. At 1 sun, the introduction of a "ratchet band" results in an increase of efficiency from 46.8% to 48.5%, due to suppression of entropy generation.
Band structure and orbital character of monolayer MoS2 with eleven-band tight-binding model
NASA Astrophysics Data System (ADS)
Shahriari, Majid; Ghalambor Dezfuli, Abdolmohammad; Sabaeian, Mohammad
2018-02-01
In this paper, based on a tight-binding (TB) model, first we present the calculations of eigenvalues as band structure and then present the eigenvectors as probability amplitude for finding electron in atomic orbitals for monolayer MoS2 in the first Brillouin zone. In these calculations we are considering hopping processes between the nearest-neighbor Mo-S, the next nearest-neighbor in-plan Mo-Mo, and the next nearest-neighbor in-plan and out-of-plan S-S atoms in a three-atom based unit cell of two-dimensional rhombic MoS2. The hopping integrals have been solved in terms of Slater-Koster and crystal field parameters. These parameters are calculated by comparing TB model with the density function theory (DFT) in the high-symmetry k-points (i.e. the K- and Γ-points). In our TB model all the 4d Mo orbitals and the 3p S orbitals are considered and detailed analysis of the orbital character of each energy level at the main high-symmetry points of the Brillouin zone is described. In comparison with DFT calculations, our results of TB model show a very good agreement for bands near the Fermi level. However for other bands which are far from the Fermi level, some discrepancies between our TB model and DFT calculations are observed. Upon the accuracy of Slater-Koster and crystal field parameters, on the contrary of DFT, our model provide enough accuracy to calculate all allowed transitions between energy bands that are very crucial for investigating the linear and nonlinear optical properties of monolayer MoS2.
Valley-dependent band structure and valley polarization in periodically modulated graphene
NASA Astrophysics Data System (ADS)
Lu, Wei-Tao
2016-08-01
The valley-dependent energy band and transport property of graphene under a periodic magnetic-strained field are studied, where the time-reversal symmetry is broken and the valley degeneracy is lifted. The considered superlattice is composed of two different barriers, providing more degrees of freedom for engineering the electronic structure. The electrons near the K and K' valleys are dominated by different effective superlattices. It is found that the energy bands for both valleys are symmetric with respect to ky=-(AM+ξ AS) /4 under the symmetric superlattices. More finite-energy Dirac points, more prominent collimation behavior, and new crossing points are found for K' valley. The degenerate miniband near the K valley splits into two subminibands and produces a new band gap under the asymmetric superlattices. The velocity for the K' valley is greatly renormalized compared with the K valley, and so we can achieve a finite velocity for the K valley while the velocity for the K' valley is zero. Especially, the miniband and band gap could be manipulated independently, leading to an increase of the conductance. The characteristics of the band structure are reflected in the transmission spectra. The Dirac points and the crossing points appear as pronounced peaks in transmission. A remarkable valley polarization is obtained which is robust to the disorder and can be controlled by the strain, the period, and the voltage.
Integrated amateur band and ultra-wide band monopole antenna with multiple band-notched
NASA Astrophysics Data System (ADS)
Srivastava, Kunal; Kumar, Ashwani; Kanaujia, B. K.; Dwari, Santanu
2018-05-01
This paper presents the integrated amateur band and ultra-wide band (UWB) monopole antenna with integrated multiple band-notched characteristics. It is designed for avoiding the potential interference of frequencies 3.99 GHz (3.83 GHz-4.34 GHz), 4.86 GHz (4.48 GHz-5.63 GHz), 7.20 GHz (6.10 GHz-7.55 GHz) and 8.0 GHz (7.62 GHz-8.47 GHz) with VSWR 4.9, 11.5, 6.4 and 5.3, respectively. Equivalent parallel resonant circuits have been presented for each band-notched frequencies of the antenna. Antenna operates in amateur band 1.2 GHz (1.05 GHz-1.3 GHz) and UWB band from 3.2 GHz-13.9 GHz. Different substrates are used to verify the working of the proposed antenna. Integrated GSM band from 0.6 GHz to 1.8 GHz can also be achieved by changing the radius of the radiating patch. Antenna gain varied from 1.4 dBi to 9.8 dBi. Measured results are presented to validate the antenna performances.
Reducing support loss in micromechanical ring resonators using phononic band-gap structures
NASA Astrophysics Data System (ADS)
Hsu, Feng-Chia; Hsu, Jin-Chen; Huang, Tsun-Che; Wang, Chin-Hung; Chang, Pin
2011-09-01
In micromechanical resonators, energy loss via supports into the substrates may lead to a low quality factor. To eliminate the support loss, in this paper a phononic band-gap structure is employed. We demonstrate a design of phononic-crystal (PC) strips used to support extensional wine-glass mode ring resonators to increase the quality factor. The PC strips are introduced to stop elastic-wave propagation by the band-gap and deaf-band effects. Analyses of resonant characteristics of the ring resonators and the dispersion relations, eigenmodes, and transmission properties of the PC strips are presented. With the proposed resonator architecture, the finite-element simulations show that the leaky power is effectively reduced and the stored energy inside the resonators is enhanced simultaneously as the operating frequencies of the resonators are within the band gap or deaf bands. Realization of a high quality factor micromechanical ring resonator with minimized support loss is expected.
Dirty two-band superconductivity with interband pairing order
NASA Astrophysics Data System (ADS)
Asano, Yasuhiro; Sasaki, Akihiro; Golubov, Alexander A.
2018-04-01
We study theoretically the effects of random nonmagnetic impurities on the superconducting transition temperature T c in a two-band superconductor characterized by an equal-time s-wave interband pairing order parameter. Because of the two-band degree of freedom, it is possible to define a spin-triplet s-wave pairing order parameter as well as a spin-singlet s-wave order parameter. The former belongs to odd-band-parity symmetry class, whereas the latter belongs to even-band-parity symmetry class. In a spin-singlet superconductor, T c is insensitive to the impurity concentration when we estimate the self-energy due to the random impurity potential within the Born approximation. On the other hand in a spin-triplet superconductor, T c decreases with the increase of the impurity concentration. We conclude that Cooper pairs belonging to odd-band-parity symmetry class are fragile under the random impurity potential even though they have s-wave pairing symmetry.
Band structures in coupled-cluster singles-and-doubles Green's function (GFCCSD)
NASA Astrophysics Data System (ADS)
Furukawa, Yoritaka; Kosugi, Taichi; Nishi, Hirofumi; Matsushita, Yu-ichiro
2018-05-01
We demonstrate that the coupled-cluster singles-and-doubles Green's function (GFCCSD) method is a powerful and prominent tool drawing the electronic band structures and the total energies, which many theoretical techniques struggle to reproduce. We have calculated single-electron energy spectra via the GFCCSD method for various kinds of systems, ranging from ionic to covalent and van der Waals, for the first time: the one-dimensional LiH chain, one-dimensional C chain, and one-dimensional Be chain. We have found that the bandgap becomes narrower than in HF due to the correlation effect. We also show that the band structures obtained from the GFCCSD method include both quasiparticle and satellite peaks successfully. Besides, taking one-dimensional LiH as an example, we discuss the validity of restricting the active space to suppress the computational cost of the GFCCSD method. We show that the calculated results without bands that do not contribute to the chemical bonds are in good agreement with full-band calculations. With the GFCCSD method, we can calculate the total energies and spectral functions for periodic systems in an explicitly correlated manner.
The marginal band system in nymphalid butterfly wings.
Taira, Wataru; Kinjo, Seira; Otaki, Joji M
2015-01-01
Butterfly wing color patterns are highly complex and diverse, but they are believed to be derived from the nymphalid groundplan, which is composed of several color pattern systems. Among these pattern systems, the marginal band system, including marginal and submarginal bands, has rarely been studied. Here, we examined the color pattern diversity of the marginal band system among nymphalid butterflies. Marginal and submarginal bands are usually expressed as a pair of linear bands aligned with the wing margin. However, a submarginal band can be expressed as a broken band, an elongated oval, or a single dot. The marginal focus, usually a white dot at the middle of a wing compartment along the wing edge, corresponds to the pupal edge spot, one of the pupal cuticle spots that signify the locations of color pattern organizing centers. A marginal band can be expressed as a semicircle, an elongated oval, or a pair of eyespot-like structures, which suggest the organizing activity of the marginal focus. Physical damage at the pupal edge spot leads to distal dislocation of the submarginal band in Junonia almana and in Vanessa indica, suggesting that the marginal focus functions as an organizing center for the marginal band system. Taken together, we conclude that the marginal band system is developmentally equivalent to other symmetry systems. Additionally, the marginal band is likely a core element and the submarginal band a paracore element of the marginal band system, and both bands are primarily specified by the marginal focus organizing center.
Hong, Sung Un; Singh, Satendra Pal; Pyo, Myoungho; Park, Woon Bae; Sohn, Kee-Sun
2017-06-28
A novel oxynitride compound, Pr 4-x Ca x Si 12 O 3+x N 18-x , synthesized using a solid-state route has been characterized as a monoclinic structure in the C2 space group using Rietveld refinement on synchrotron powder X-ray diffraction data. The crystal structure of this compound was disordered due to the random distribution of Ca/Pr and N/O ions at various Wyckoff sites. A pragmatic approach for an ab initio calculation based on density function theory (DFT) for this disordered compound has been implemented to calculate an acceptable value of the band gap and formation energy. In general, for the DFT calculation of a disordered compound, a sufficiently large super cell and infinite variety of ensemble configurations is adopted to simulate the random distribution of ions; however, such an approach is time consuming and cost ineffective. Even a single unit cell model gave rise to 43 008 independent configurations as an input model for the DFT calculations. Since it was nearly impossible to calculate the formation energy and the band gap energy for all 43 008 configurations, an elitist non-dominated sorting genetic algorithm (NSGA-II) was employed to find the plausible configurations. In the NSGA-II, all 43 008 configurations were mathematically treated as genomes and the calculated band gap and the formation energy as the objective (fitness) function. Generalized gradient approximation (GGA) was first employed in the preliminary screening using NSGA-II, and thereafter a hybrid functional calculation (HSE06) was executed only for the most plausible GGA-relaxed configurations with lower formation and higher band gap energies. The final band gap energy (3.62 eV) obtained after averaging over the selected configurations, resembles closely the experimental band gap value (4.11 eV).
Steel Band Repertoire: The Case for Original Music
ERIC Educational Resources Information Center
Tanner, Chris
2010-01-01
In the past few decades, the steel band art form has experienced consistent growth and development in several key respects. For example, in the United States, the sheer number of steel band programs has steadily increased, and it appears that this trend will continue in the future. Additionally, pan builders and tuners have made great strides in…
Shuttle Ku-band and S-band communications implementations study
NASA Technical Reports Server (NTRS)
Huth, G. K.; Nessibou, T.; Nilsen, P. W.; Simon, M. K.; Weber, C. L.
1979-01-01
The interfaces between the Ku-band system and the TDRSS, between the S-band system and the TDRSS, GSTDN and SGLS networks, and between the S-band payload communication equipment and the other Orbiter avionic equipment were investigated. The principal activities reported are: (1) performance analysis of the payload narrowband bent-pipe through the Ku-band communication system; (2) performance evaluation of the TDRSS user constraints placed on the S-band and Ku-band communication systems; (3) assessment of the shuttle-unique S-band TDRSS ground station false lock susceptibility; (4) development of procedure to make S-band antenna measurements during orbital flight; (5) development of procedure to make RFI measurements during orbital flight to assess the performance degradation to the TDRSS S-band communication link; and (6) analysis of the payload interface integration problem areas.
Birefringence and band structure of CdP2 crystals
NASA Astrophysics Data System (ADS)
Beril, S. I.; Stamov, I. G.; Syrbu, N. N.; Zalamai, V. V.
2013-08-01
The spatial dispersion in CdP2 crystals was investigated. The dispersion is positive (nk||с>nk||у) at λ>λ0 and negative (nk||с
Negligible carrier freeze-out facilitated by impurity band conduction in highly p-type GaN
NASA Astrophysics Data System (ADS)
Gunning, Brendan; Lowder, Jonathan; Moseley, Michael; Alan Doolittle, W.
2012-08-01
Highly p-type GaN films with hole concentrations exceeding 6 × 1019 cm-3 grown by metal-modulated epitaxy are electrically characterized. Temperature-dependent Hall effect measurements at cryogenic temperatures reveal minimal carrier freeze-out in highly doped samples, while less heavily doped samples exhibited high resistivity and donor-compensated conductivity as is traditionally observed. Effective activation energies as low as 43 meV were extracted, and a maximum Mg activation efficiency of 52% was found. In addition, the effective activation energy was found to be negatively correlated to the hole concentration. These results indicate the onset of the Mott-Insulator transition leading to impurity band conduction.
Ultra-High Gradient S-band Linac for Laboratory and Industrial Applications
NASA Astrophysics Data System (ADS)
Faillace, L.; Agustsson, R.; Dolgashev, V.; Frigola, P.; Murokh, A.; Rosenzweig, J.; Yakimenko, V.
2010-11-01
A strong demand for high gradient structures arises from the limited real estate available for linear accelerators. RadiaBeam Technologies is developing a Doubled Energy Compact Accelerator (DECA) structure: an S-band standing wave electron linac designed to operate at accelerating gradients of up to 50 MV/m. In this paper, we present the radio-frequency design of the DECA S-band accelerating structure, operating at 2.856 GHz in the π-mode. The structure design is heavily influenced by NLC collaboration experience with ultra high gradient X-band structures; S-band, however, is chosen to take advantage of commonly available high power S-band klystrons.
Test of Weak Equivalence Principle with the Multi-band Timing of the Crab Pulsar
NASA Astrophysics Data System (ADS)
Zhang, Yueyang; Gong, Biping
2017-03-01
The Weak Equivalent Principle (WEP) can be tested through the parameterized post-Newtonian parameter γ, representing the space curvature produced by unit rest mass. The parameter γ in turn has been constrained by comparing the arrival times of photons originating in distant transient events, such as gamma-ray bursts, fast radio bursts, and giant pulses of pulsars. Those measurements normally correspond to an individual burst event with very limited energy bands and signal-to-noise ratios (S/Ns). In this paper, the discrepancy in the pulse arrival times of the Crab Pulsar between different energy bands is obtained by the phase difference between corresponding pulse profiles. This allows us to compare the pulse arrival times at the largest energy band differences, between radio and optical, radio and X-ray, and radio and gamma-ray respectively. Because the pulse profiles are generated by phase-folding thousands of individual pulses, the time discrepancies between two energy bands are actually measured from thousands of events at each energy band, which corresponds to a much higher S/N. The upper limit of the γ discrepancy set by such an extensively observed and well-modeled source is as follows: {γ }{radio}{--}{γ }γ {- {ray}}< 3.28× {10}-9 at the energy difference of {E}γ {- {ray}}/{E}{radio}˜ {10}13, {γ }{radio}{--}{γ }{{X} - {ray}}< 4.01× {10}-9 at the energy difference of {E}{{X} - {ray}}/{E}{radio}˜ {10}9, {γ }{radio}{--}{γ }{optical}< 2.63× {10}-9 at {E}{optical}/{E}{radio}˜ {10}5, and {γ }{optical}{--}{γ }γ {- {ray}}< 3.03× {10}-10 at {E}γ {- {ray}}/{E}{optical}˜ {10}8. This actually measures the arrival times of freely falling photons in the gravitational field of the Milky Way with the largest amount of events and with data of the highest S/N, which tests WEP at energy band differences that have never been reached before.
Clark, Billy; McCollum, Jena; Pantoya, Michelle L.; ...
2015-08-01
Film energetics are becoming increasingly popular because a variety of technologies are driving a need for localized energy generation in a stable, safe and flexible form. Aluminum (Al) and molybdenum trioxide (MoO₃) composites were mixed into a silicon binder and extruded using a blade casting technique to form flexible free-standing films ideal for localized energy generation. Since this material can be extruded onto a surface it is well suited to additive manufacturing applications. This study examines the influence of 0-35% by mass potassium perchlorate (KClO₄) additive on the combustion behavior of these energetic films. Without KClO₄ the film exhibits thermalmore » instabilities that produce unsteady energy propagation upon reaction. All films were cast at a thickness of 1 mm with constant volume percent solids to ensure consistent rheological properties. The films were ignited and flame propagation was measured. The results show that as the mass percent KClO₄ increased, the flame speed increased and peaked at 0.43 cm/s and 30 wt% KClO₄. Thermochemical equilibrium simulations show that the heat of combustion increases with increasing KClO₄ concentration up to a maximum at 20 wt% when the heat of combustion plateaus, indicating that the increased chemical energy liberated by the additional KClO₄ promotes stable energy propagation. Differential scanning calorimeter and thermogravimetric analysis show that the silicone binder participates as a fuel and reacts with KClO₄ adding energy to the reaction and promoting propagation.« less
NASA Technical Reports Server (NTRS)
Lee, P. J.
1985-01-01
For a frequency-hopped noncoherent MFSK communication system without jammer state information (JSI) in a worst case partial band jamming environment, it is well known that the use of a conventional unquantized metric results in very poor performance. In this paper, a 'normalized' unquantized energy metric is suggested for such a system. It is shown that with this metric, one can save 2-3 dB in required signal energy over the system with hard decision metric without JSI for the same desired performance. When this very robust metric is compared to the conventional unquantized energy metric with JSI, the loss in required signal energy is shown to be small. Thus, the use of this normalized metric provides performance comparable to systems for which JSI is known. Cutoff rate and bit error rate with dual-k coding are used for the performance measures.
UNIDENTIFIED INFRARED EMISSION BANDS: PAHs or MAONs?
DOE Office of Scientific and Technical Information (OSTI.GOV)
Sun Kwok; Yong Zhang, E-mail: sunkwok@hku.hk
2013-07-01
We suggest that the carrier of the unidentified infrared emission (UIE) bands is an amorphous carbonaceous solid with mixed aromatic/aliphatic structures, rather than free-flying polycyclic aromatic hydrocarbon molecules. Through spectral fittings of the astronomical spectra of the UIE bands, we show that a significant amount of the energy is emitted by the aliphatic component, implying that aliphatic groups are an essential part of the chemical structure. Arguments in favor of an amorphous, solid-state structure rather than a gas-phase molecule as a carrier of the UIE are also presented.
Observation of a novel stapler band in 75As
NASA Astrophysics Data System (ADS)
Li, C. G.; Chen, Q. B.; Zhang, S. Q.; Xu, C.; Hua, H.; Li, X. Q.; Wu, X. G.; Hu, S. P.; Meng, J.; Xu, F. R.; Liang, W. Y.; Li, Z. H.; Ye, Y. L.; Jiang, D. X.; Sun, J. J.; Han, R.; Niu, C. Y.; Chen, X. C.; Li, P. J.; Wang, C. G.; Wu, H. Y.; Li, G. S.; He, C. Y.; Zheng, Y.; Li, C. B.; Chen, Q. M.; Zhong, J.; Zhou, W. K.
2017-03-01
The heavy ion fusion-evaporation reaction study for the high-spin spectroscopy of 75As has been performed via the reaction channel 70Zn(9Be, 1p3n)75As at a beam energy of 42 MeV. The collective structure especially a dipole band in 75As is established for the first time. The properties of this dipole band are investigated in terms of the self-consistent tilted axis cranking covariant density functional theory. Based on the theoretical description and the examination of the angular momentum components, this dipole band can be interpreted as a novel stapler band, where the valence neutrons in (1g9/2) orbital rather than the collective core are responsible for the closing of the stapler of angular momentum.
Structural sensitivity of Csbnd H vibrational band in methyl benzoate
NASA Astrophysics Data System (ADS)
Roy, Susmita; Maiti, Kiran Sankar
2018-05-01
The Csbnd H vibrational bands of methyl benzoate are studied to understand its coupling pattern with other vibrational bands of the biological molecule. This will facilitate to understand the biological structure and dynamics in spectroscopic as well as in microscopic study. Due to the congested spectroscopic pattern, near degeneracy, and strong anharmonicity of the Csbnd H stretch vibrations, assignment of the Csbnd H vibrational frequencies are often misleading. Anharmonic vibrational frequency calculation with multidimensional potential energy surface interprets the Csbnd H vibrational spectra more accurately. In this article we have presented the importance of multidimensional potential energy surface in anharmonic vibrational frequency calculation and discuss the unexpected red shift of asymmetric Csbnd H stretch vibration of methyl group. The Csbnd D stretch vibrational band which is splitted to double peaks due to the Fermi resonance is also discussed here.
The Current State of Additive Manufacturing in Wind Energy Systems
DOE Office of Scientific and Technical Information (OSTI.GOV)
Mann, Margaret; Palmer, Sierra; Lee, Dominic
Wind power is an inexhaustible form of energy that is being captured throughout the U.S. to power the engine of our economy. A robust, domestic wind industry promises to increase U.S. industry growth and competitiveness, strengthen U.S. energy security independence, and promote domestic manufacturing nationwide. As of 2016, ~82GW of wind capacity had been installed, and wind power now provides more than 5.5% of the nation’s electricity and supports more than 100,000 domestic jobs, including 500 manufacturing facilities in 43 States. To reach the U.S. Department of Energy’s (DOE’s) 2015 Wind Vision study scenario of wind power serving 35% ofmore » the nation's end-use demand by 2050, significant advances are necessary in all areas of wind technologies and market. An area that can greatly impact the cost and rate of innovation in wind technologies is the use of advanced manufacturing, with one of the most promising areas being additive manufacturing (AM). Considering the tremendous promise offered by advanced manufacturing, it is the purpose of this report to identify the use of AM in the production and operation of wind energy systems. The report has been produced as a collaborative effort for the DOE Wind Energy Technology Office (WETO), between Oak Ridge National Laboratory (ORNL) and the National Renewable Energy Laboratory (NREL).« less
Redefining RECs: Additionality in the voluntary Renewable Energy Certificate market
NASA Astrophysics Data System (ADS)
Gillenwater, Michael Wayne
In the United States, electricity consumers are told that they can "buy" electricity from renewable energy projects, versus fossil fuel-fired facilities, through participation in a voluntary green power program. The marketing messages communicate to consumers that their participation and premium payments for a green label will cause additional renewable energy generation and thereby allow them to claim they consume electricity that is absent pollution as well as reduce pollutant emissions. Renewable Energy Certificates (RECs) and wind energy are the basis for the majority of the voluntary green power market in the United States. This dissertation addresses the question: Do project developers respond to the voluntary REC market in the United States by altering their decisions to invest in wind turbines? This question is investigated by modeling and probabilistically quantifying the effect of the voluntary REC market on a representative wind power investor in the United States using data from formal expert elicitations of active participants in the industry. It is further explored by comparing the distribution of a sample of wind power projects supplying the voluntary green power market in the United States against an economic viability model that incorporates geographic factors. This dissertation contributes the first quantitative analysis of the effect of the voluntary REC market on project investment. It is found that 1) RECs should be not treated as equivalent to emission offset credits, 2) there is no clearly credible role for voluntary market RECs in emissions trading markets without dramatic restructuring of one or both markets and the environmental commodities they trade, and 3) the use of RECs in entity-level GHG emissions accounting (i.e., "carbon footprinting") leads to double counting of emissions and therefore is not justified. The impotence of the voluntary REC market was, at least in part, due to the small magnitude of the REC price signal and lack of
Multiscale energy reallocation during low-frequency steady-state brain response.
Wang, Yifeng; Chen, Wang; Ye, Liangkai; Biswal, Bharat B; Yang, Xuezhi; Zou, Qijun; Yang, Pu; Yang, Qi; Wang, Xinqi; Cui, Qian; Duan, Xujun; Liao, Wei; Chen, Huafu
2018-05-01
Traditional task-evoked brain activations are based on detection and estimation of signal change from the mean signal. By contrast, the low-frequency steady-state brain response (lfSSBR) reflects frequency-tagging activity at the fundamental frequency of the task presentation and its harmonics. Compared to the activity at these resonant frequencies, brain responses at nonresonant frequencies are largely unknown. Additionally, because the lfSSBR is defined by power change, we hypothesize using Parseval's theorem that the power change reflects brain signal variability rather than the change of mean signal. Using a face recognition task, we observed power increase at the fundamental frequency (0.05 Hz) and two harmonics (0.1 and 0.15 Hz) and power decrease within the infra-slow frequency band (<0.1 Hz), suggesting a multifrequency energy reallocation. The consistency of power and variability was demonstrated by the high correlation (r > .955) of their spatial distribution and brain-behavior relationship at all frequency bands. Additionally, the reallocation of finite energy was observed across various brain regions and frequency bands, forming a particular spatiotemporal pattern. Overall, results from this study strongly suggest that frequency-specific power and variability may measure the same underlying brain activity and that these results may shed light on different mechanisms between lfSSBR and brain activation, and spatiotemporal characteristics of energy reallocation induced by cognitive tasks. © 2018 Wiley Periodicals, Inc.
Phonon-induced ultrafast band gap control in LaTiO3
NASA Astrophysics Data System (ADS)
Gu, Mingqiang; Rondinelli, James M.
We propose a route for ultrafast band gap engineering in correlated transition metal oxides by using optically driven phonons. We show that the ∖Gamma-point electron band energies can be deterministically tuned in the nonequilibrium state. Taking the Mott insulator LaTiO3 as an example, we show that such phonon-assisted processes dynamically induce an indirect-to-direct band gap transition or even a metal-to-insulator transition, depending on the electron correlation strength. We explain the origin of the dynamical band structure control and also establish its generality by examining related oxides. Lastly, we describe experimental routes to realize the band structure control with impulsive stimulated Raman scattering.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Clark, Billy; McCollum, Jena; Pantoya, Michelle L., E-mail: michelle.pantoya@ttu.edu
2015-08-15
Film energetics are becoming increasingly popular because a variety of technologies are driving a need for localized energy generation in a stable, safe and flexible form. Aluminum (Al) and molybdenum trioxide (MoO{sub 3}) composites were mixed into a silicon binder and extruded using a blade casting technique to form flexible free-standing films ideal for localized energy generation. Since this material can be extruded onto a surface it is well suited to additive manufacturing applications. This study examines the influence of 0-35% by mass potassium perchlorate (KClO{sub 4}) additive on the combustion behavior of these energetic films. Without KClO{sub 4} themore » film exhibits thermal instabilities that produce unsteady energy propagation upon reaction. All films were cast at a thickness of 1 mm with constant volume percent solids to ensure consistent rheological properties. The films were ignited and flame propagation was measured. The results show that as the mass percent KClO{sub 4} increased, the flame speed increased and peaked at 0.43 cm/s and 30 wt% KClO{sub 4}. Thermochemical equilibrium simulations show that the heat of combustion increases with increasing KClO{sub 4} concentration up to a maximum at 20 wt% when the heat of combustion plateaus, indicating that the increased chemical energy liberated by the additional KClO{sub 4} promotes stable energy propagation. Differential scanning calorimeter and thermogravimetric analysis show that the silicone binder participates as a fuel and reacts with KClO{sub 4} adding energy to the reaction and promoting propagation.« less
Bands dispersion and charge transfer in β-BeH2
NASA Astrophysics Data System (ADS)
Trivedi, D. K.; Galav, K. L.; Joshi, K. B.
2018-04-01
Predictive capabilities of ab-initio method are utilised to explore bands dispersion and charge transfer in β-BeH2. Investigations are carried out using the linear combination of atomic orbitals method at the level of density functional theory. The crystal structure and related parameters are settled by coupling total energy calculations with the Murnaghan equation of state. Electronic bands dispersion from PBE-GGA is reported. The PBE-GGA, and PBE0 hybrid functional, show that β-BeH2 is a direct gap semiconductor with 1.18 and 2.40 eV band gap. The band gap slowly decreases with pressure and beyond l00 GPa overlap of conduction and valence bands at the r point is observed. Charge transfer is studied by means of Mullikan population analysis.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Gladysiewicz, M.; Wartak, M. S.; Department of Physics and Computer Science, Wilfrid Laurier University, Waterloo, Ontario N2L 3C5
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 usedmore » 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.« less
Luo, Jun-Wei; Franceschetti, Alberto; Zunger, Alex
2008-10-01
Direct carrier multiplication (DCM) occurs when a highly excited electron-hole pair decays by transferring its excess energy to the electrons rather than to the lattice, possibly exciting additional electron-hole pairs. Atomistic electronic structure calculations have shown that DCM can be induced by electron-hole Coulomb interactions, in an impact-ionization-like process whose rate is proportional to the density of biexciton states rho XX. Here we introduce a DCM "figure of merit" R2(E) which is proportional to the ratio between the biexciton density of states rhoXX and the single-exciton density of states rhoX, restricted to single-exciton and biexciton states that are coupled by Coulomb interactions. Using R2(E), we consider GaAs, InAs, InP, GaSb, InSb, CdSe, Ge, Si, and PbSe nanocrystals of different sizes. Although DCM can be affected by both quantum-confinement effects (reflecting the underly electronic structure of the confined dot-interior states) and surface effects, here we are interested to isolate the former. To this end the nanocrystal energy levels are obtained from the corresponding bulk band structure via the truncated crystal approximation. We find that PbSe, Si, GaAs, CdSe, and InP nanocrystals have larger DCM figure of merit than the other nanocrystals. Our calculations suggest that high DCM efficiency requires high degeneracy of the corresponding bulk band-edge states. Interestingly, by considering band structure effects we find that as the dot size increases the DCM critical energy E0 (the energy at which R2(E) becomes >or=1) is reduced, suggesting improved DCM. However, whether the normalized E0/epsilong increases or decreases as the dot size increases depends on dot material.
Chirayath, V A; Callewaert, V; Fairchild, A J; Chrysler, M D; Gladen, R W; Mcdonald, A D; Imam, S K; Shastry, K; Koymen, A R; Saniz, R; Barbiellini, B; Rajeshwar, K; Partoens, B; Weiss, A H
2017-07-13
Auger processes involving the filling of holes in the valence band are thought to make important contributions to the low-energy photoelectron and secondary electron spectrum from many solids. However, measurements of the energy spectrum and the efficiency with which electrons are emitted in this process remain elusive due to a large unrelated background resulting from primary beam-induced secondary electrons. Here, we report the direct measurement of the energy spectra of electrons emitted from single layer graphene as a result of the decay of deep holes in the valence band. These measurements were made possible by eliminating competing backgrounds by employing low-energy positrons (<1.25 eV) to create valence-band holes by annihilation. Our experimental results, supported by theoretical calculations, indicate that between 80 and 100% of the deep valence-band holes in graphene are filled via an Auger transition.
Chirayath, V. A.; Callewaert, V.; Fairchild, A. J.; Chrysler, M. D.; Gladen, R. W.; Mcdonald, A. D.; Imam, S. K.; Shastry, K.; Koymen, A. R.; Saniz, R.; Barbiellini, B.; Rajeshwar, K.; Partoens, B.; Weiss, A. H.
2017-01-01
Auger processes involving the filling of holes in the valence band are thought to make important contributions to the low-energy photoelectron and secondary electron spectrum from many solids. However, measurements of the energy spectrum and the efficiency with which electrons are emitted in this process remain elusive due to a large unrelated background resulting from primary beam-induced secondary electrons. Here, we report the direct measurement of the energy spectra of electrons emitted from single layer graphene as a result of the decay of deep holes in the valence band. These measurements were made possible by eliminating competing backgrounds by employing low-energy positrons (<1.25 eV) to create valence-band holes by annihilation. Our experimental results, supported by theoretical calculations, indicate that between 80 and 100% of the deep valence-band holes in graphene are filled via an Auger transition. PMID:28703225
Valence-band states in Bi2(Ca,Sr,La)3Cu2O8
NASA Astrophysics Data System (ADS)
Wells, B. O.; Lindberg, P. A. P.; Shen, Z.-X.; Dessau, D. S.; Spicer, W. E.; Lindau, I.; Mitzi, D. B.; Kapitulnik, A.
1989-09-01
We have used photoemission spectroscopy to examine the symmetry of the occupied states of the valence band for the La-doped superconductor Bi2(Ca,Sr,La)3Cu2O8. While the oxygen states near the bottom of the 7-eV wide valence band exhibit predominantly O 2pz symmetry, the states at the top of the valence band extending to the Fermi level are found to have primarily O 2px and O 2py character. We have also examined anomalous intensity enhancements in the valence-band features for photon energies near 18 eV. These enhancements, which occur at photon energies ranging from 15.8 to 18.0 eV for the different valence-band features, are not consistent with either simple final-state effects or direct O 2s transitions to unoccupied O 2p states.
Intercomparison of attenuation correction algorithms for single-polarized X-band radars
NASA Astrophysics Data System (ADS)
Lengfeld, K.; Berenguer, M.; Sempere Torres, D.
2018-03-01
Attenuation due to liquid water is one of the largest uncertainties in radar observations. The effects of attenuation are generally inversely proportional to the wavelength, i.e. observations from X-band radars are more affected by attenuation than those from C- or S-band systems. On the other hand, X-band radars can measure precipitation fields in higher temporal and spatial resolution and are more mobile and easier to install due to smaller antennas. A first algorithm for attenuation correction in single-polarized systems was proposed by Hitschfeld and Bordan (1954) (HB), but it gets unstable in case of small errors (e.g. in the radar calibration) and strong attenuation. Therefore, methods have been developed that restrict attenuation correction to keep the algorithm stable, using e.g. surface echoes (for space-borne radars) and mountain returns (for ground radars) as a final value (FV), or adjustment of the radar constant (C) or the coefficient α. In the absence of mountain returns, measurements from C- or S-band radars can be used to constrain the correction. All these methods are based on the statistical relation between reflectivity and specific attenuation. Another way to correct for attenuation in X-band radar observations is to use additional information from less attenuated radar systems, e.g. the ratio between X-band and C- or S-band radar measurements. Lengfeld et al. (2016) proposed such a method based isotonic regression of the ratio between X- and C-band radar observations along the radar beam. This study presents a comparison of the original HB algorithm and three algorithms based on the statistical relation between reflectivity and specific attenuation as well as two methods implementing additional information of C-band radar measurements. Their performance in two precipitation events (one mainly convective and the other one stratiform) shows that a restriction of the HB is necessary to avoid instabilities. A comparison with vertically pointing
Fine structure of the red luminescence band in undoped GaN
DOE Office of Scientific and Technical Information (OSTI.GOV)
Reshchikov, M. A., E-mail: mreshchi@vcu.edu; Usikov, A.; Saint-Petersburg National Research University of Information Technologies, Mechanics and Optics, 49 Kronverkskiy Ave., 197101 Saint Petersburg
2014-01-20
Many point defects in GaN responsible for broad photoluminescence (PL) bands remain unidentified. Their presence in thick GaN layers grown by hydride vapor phase epitaxy (HVPE) detrimentally affects the material quality and may hinder the use of GaN in high-power electronic devices. One of the main PL bands in HVPE-grown GaN is the red luminescence (RL) band with a maximum at 1.8 eV. We observed the fine structure of this band with a zero-phonon line (ZPL) at 2.36 eV, which may help to identify the related defect. The shift of the ZPL with excitation intensity and the temperature-related transformation of the RLmore » band fine structure indicate that the RL band is caused by transitions from a shallow donor (at low temperature) or from the conduction band (above 50 K) to an unknown deep acceptor having an energy level 1.130 eV above the valence band.« less
Band gap narrowing in n-type and p-type 3C-, 2H-, 4H-, 6H-SiC, and Si
NASA Astrophysics Data System (ADS)
Persson, C.; Lindefelt, U.; Sernelius, B. E.
1999-10-01
Doping-induced energy shifts of the conduction band minimum and the valence band maximum have been calculated for n-type and p-type 3C-, 2H-, 4H-, 6H-SiC, and Si. The narrowing of the fundamental band gap and of the optical band gap are presented as functions of ionized impurity concentration. The calculations go beyond the common parabolic treatments of the ground state energy dispersion by using energy dispersion and overlap integrals from band structure calculations. The nonparabolic valence band curvatures influence strongly the energy shifts especially in p-type materials. The utilized method is based on a zero-temperature Green's function formalism within the random phase approximation with local field correction according to Hubbard. We have parametrized the shifts of the conduction and the valence bands and made comparisons with recently published results from a semi-empirical model.
NASA Astrophysics Data System (ADS)
Ulenikov, O. N.; Gromova, O. V.; Bekhtereva, E. S.; Kashirina, N. V.; Bauerecker, S.; Horneman, V.-M.
2015-07-01
The highly accurate (experimental accuracy in line positions ∼ (1 - 2) ×10-4 cm-1) ro-vibrational spectrum of the ν8 +ν10 band of the 12C2H4 molecule was recorded for the first time with high resolution Fourier transform spectrometry and analyzed in the region of 1650-1950 cm-1 using the Hamiltonian model which takes into account Coriolis resonance interactions between the studied ν8 +ν10 band, which is forbidden in absorption, and the bands ν4 +ν8 and ν7 +ν8 . About 1570 transitions belonging to the ν8 +ν10 band were assigned in the experimental spectra with the maximum values of quantum numbers Jmax. = 35 and Kamax . = 18 . On that basis, a set of 38 vibrational, rotational, centrifugal distortion, and resonance interaction parameters was obtained from the fit. They reproduce values of 598 initial "experimental" ro-vibrational energy levels (positions of about 1570 experimentally recorded and assigned transitions) with the rms error drms = 0.00045 cm-1 (drms = 0.00028 cm-1 when upper ro-vibrational energies obtained from blended and very weak transitions were deleted from the fit).
Forces directing germ-band extension in Drosophila embryos.
Kong, Deqing; Wolf, Fred; Großhans, Jörg
2017-04-01
Body axis elongation by convergent extension is a conserved developmental process found in all metazoans. Drosophila embryonic germ-band extension is an important morphogenetic process during embryogenesis, by which the length of the germ-band is more than doubled along the anterior-posterior axis. This lengthening is achieved by typical convergent extension, i.e. narrowing the lateral epidermis along the dorsal-ventral axis and simultaneous extension along the anterior-posterior axis. Germ-band extension is largely driven by cell intercalation, whose directionality is determined by the planar polarity of the tissue and ultimately by the anterior-posterior patterning system. In addition, extrinsic tensile forces originating from the invaginating endoderm induce cell shape changes, which transiently contribute to germ-band extension. Here, we review recent progress in understanding of the role of mechanical forces in germ-band extension. Copyright © 2016 The Authors. Published by Elsevier B.V. All rights reserved.
Mars Reconnaissance Orbiter Ka-band (32 GHz) Demonstration: Cruise Phase Operations
NASA Technical Reports Server (NTRS)
Shambayati, Shervin; Morabito, David; Border, James S.; Davarian, Faramaz; Lee, Dennis; Mendoza, Ricardo; Britcliffe, Michael; Weinreb, Sander
2006-01-01
The X-band (8.41 GHz) frequency currently used for deep space telecommunications is too narrow (50 MHz) to support future high rate missions. Because of this NASA has decided to transition to Ka-band (32 GHz) frequencies. As weather effects cause much larger fluctuations on Ka-band than on X-band, the traditional method of using a few dBs of margin to cover these fluctuations is wasteful of power for Ka-band; therefore, a different operations concept is needed for Ka-band links. As part of the development of the operations concept for Ka-band, NASA has implemented a fully functioning Ka-band communications suite on its Mars Reconnaissance Orbiter (MRO). This suite will be used during the primary science phase to develop and refine the Ka-band operations concept for deep space missions. In order to test the functional readiness of the spacecraft and the Deep Space Network's (DSN) readiness to support the demonstration activities a series of passes over DSN 34-m Beam Waveguide (BWG) antennas were scheduled during the cruise phase of the mission. MRO was launched on August 12, 2005 from Kennedy Space Center, Cape Canaveral, Florida, USA and went into Mars Orbit on March 10, 2006. A total of ten telemetry demonstration and one high gain antenna (HGA) calibration passes were allocated to the Ka-band demonstration. Furthermore, a number of "shadow" passes were also scheduled where, during a regular MRO track over a Ka-band capable antenna, Ka-band was identically configured as the X-band and tracked by the station. In addition, nine Ka-band delta differential one way ranging ((delta)DOR) passes were scheduled. During these passes, the spacecraft and the ground system were put through their respective paces. Among the highlights of these was setting a single day record for data return from a deep space spacecraft (133 Gbits) achieved during one 10-hour pass; achieving the highest data rate ever from a planetary mission (6 Mbps) and successfully demonstrating Ka-band DDOR
NASA Technical Reports Server (NTRS)
Wang, Zhipeng; Xiong, Xiaoxiong; Li, Yonghong
2015-01-01
Spectral bands of the Visible Infrared Imaging Radiometer Suite (VIIRS) instrumentaboard the Suomi National Polar-orbiting Partnership (S-NPP) satellite are spatially co-registered.The accuracy of the band-to-band registration (BBR) is one of the key spatial parameters that must becharacterized. Unlike its predecessor, the Moderate Resolution Imaging Spectroradiometer (MODIS), VIIRS has no on-board calibrator specifically designed to perform on-orbit BBR characterization.To circumvent this problem, a BBR characterization method for VIIRS reflective solar bands (RSB) based on regularly-acquired lunar images has been developed. While its results can satisfactorily demonstrate that the long-term stability of the BBR is well within +/- 0.1 moderate resolution bandpixels, undesired seasonal oscillations have been observed in the trending. The oscillations are most obvious between the visiblenear-infrared bands and short-middle wave infrared bands. This paper investigates the oscillations and identifies their cause as the band spectral dependence of the centroid position and the seasonal rotation of the lunar images over calibration events. Accordingly, an improved algorithm is proposed to quantify the rotation and compensate for its impact. After the correction, the seasonal oscillation in the resulting BBR is reduced from up to 0.05 moderate resolution band pixels to around 0.01 moderate resolution band pixels. After removing this spurious seasonal oscillation, the BBR, as well as its long-term drift are well determined.
Development of softcopy environment for primary color banding visibility assessment
NASA Astrophysics Data System (ADS)
Min, Byungseok; Pizlo, Zygmunt; Allebach, Jan P.
2008-01-01
Fine-pitch banding is one of the most unwanted artifacts in laser electrophotographic (EP) printers. It is perceived as a quasiperiodic fluctuation in the process direction. Therefore, it is essential for printer vendors to know how banding is perceived by humans in order to improve print quality. Monochrome banding has been analyzed and assessed by many researchers; but there is no literature that deals with the banding of color laser printers as measured from actual prints. The study of color banding is complicated by the fact that the color banding signal is physically defined in a three-dimensional color space, while banding perception is described in a one-dimensional sense such as more banding or less banding. In addition, the color banding signal arises from the independent contributions of the four primary colorant banding signals. It is not known how these four distinct signals combine to give rise to the perception of color banding. In this paper, we develop a methodology to assess the banding visibility of the primary colorant cyan based on human visual perception. This is our first step toward studying the more general problem of color banding in combinations of two or more colorants. According to our method, we print and scan the cyan test patch, and extract the banding profile as a one dimensional signal so that we can freely adjust the intensity of banding. Thereafter, by exploiting the pulse width modulation capability of the laser printer, the extracted banding profile is used to modulate a pattern consisting of periodic lines oriented in the process direction, to generate extrinsic banding. This avoids the effect of the halftoning algorithm on the banding. Furthermore, to conduct various banding assessments more efficiently, we also develop a softcopy environment that emulates a hardcopy image on a calibrated monitor, which requires highly accurate device calibration throughout the whole system. To achieve the same color appearance as the hardcopy
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Topologically trivial and nontrivial edge bands in graphene induced by irradiation
NASA Astrophysics Data System (ADS)
Yang, Mou; Cai, Zhi-Jun; Wang, Rui-Qiang; Bai, Yan-Kui
2016-08-01
We proposed a minimal model to describe the Floquet band structure of two-dimensional materials with light-induced resonant inter-band transition. We applied it to graphene to study the band features caused by the light irradiation. Linearly polarized light induces pseudo gaps (gaps are functions of wavevector), and circularly polarized light causes real gaps on the quasi-energy spectrum. If the polarization of light is linear and along the longitudinal direction of zigzag ribbons, flat edge bands appear in the pseudo gaps, and if it is in the lateral direction of armchair ribbons, curved edge bands can be found. For the circularly polarized cases, edge bands arise and intersect in the gaps of both types of ribbons. The edge bands induced by the circularly polarized light are helical and those by linearly polarized light are topologically trivial ones. The Chern number of the Floquet band, which reflects the number of pairs of helical edge bands in graphene ribbons, can be reduced into the winding number at resonance.
Band gaps in periodically magnetized homogeneous anisotropic media
NASA Astrophysics Data System (ADS)
Merzlikin, A. M.; Levy, M.; Vinogradov, A. P.; Wu, Z.; Jalali, A. A.
2010-11-01
In [A. M. Merzlikin, A. P. Vinogradov, A. V. Dorofeenko, M. Inoue, M. Levy, A. B. Granovsky, Physica B 394 (2007) 277] it is shown that in anisotropic magnetophotonic crystal made of anisotropic dielectric layers and isotropic magneto-optical layers the magnetization leads to formation of additional band gaps (BG) inside the Brillouin zones. Due to the weakness of the magneto-optical effects the width of these BG is much smaller than that of usual BG forming on the boundaries of Brillouin zones. In the present communication we show that though the anisotropy suppresses magneto-optical effects. An anisotropic magnetophotonic crystal made of anisotropic dielectric layers and anisotropic magneto-optical; the width of additional BG may be much greater than the width of the usual Brillouin BG. Anisotropy tends to suppress Brillouin zone boundary band gap formation because the anisotropy suppresses magneto-optical properties, while degenerate band gap formation occurs around points of effective isotropy and is not suppressed.
Numerical band structure calculations of plasma metamaterials
NASA Astrophysics Data System (ADS)
Pederson, Dylan; Kourtzanidis, Konstantinos; Raja, Laxminarayan
2015-09-01
Metamaterials (MM) are materials engineered to display negative macroscopic permittivity and permeability. These materials allow for designed control over electromagnetic energy flow, especially at frequencies where natural materials do not interact. Plasmas have recently found application in MM as a negative permittivity component. The permittivity of a plasma depends on its electron density, which can be controlled by an applied field. This means that plasmas can be used in MM to actively control the transmission or reflection of incident waves. This work focuses on a plasma MM geometry in which microplasmas are generated in perforations in a metal plate. We characterizethis material by its band structure, which describes its interaction with incident waves. The plasma-EM interactions are obtained by coupling Maxwell's equations to a simplified plasma momentum equation. A plasma density profile is prescribed, and its effect on the band structure is investigated. The band structure calculations are typically done for static structures, whereas our current density responds to the incident waves. The resulting band structures are compared with experimental results.
Antibacterial nanosilver coated orthodontic bands with potential implications in dentistry.
Prabha, Rahul Damodaran; Kandasamy, Rajasigamani; Sivaraman, U Sajeev; Nandkumar, Maya A; Nair, Prabha D
2016-10-01
Fixed orthodontic treatment, an indispensable procedure in orthodontics, necessitates insertion of dental bands. Insertion of band material could also introduce a site of plaque retention. It was hypothesized that band materials with slow-release antimicrobial properties could help in sustained infection control, prevention of dental plaque formation and further associated health risks. Considering the known antimicrobial proprieties of silver, a coating of silver nanoparticle (SNP) onto the stainless steel bands was done and characterized for its beneficial properties in the prevention of plaque accumulation. Coatings of SNPs on conventional stainless steel dental bands were prepared using thermal evaporation technology. The coated dental bands were characterized for their physicochemical properties and evaluated for antimicrobial activity and biocompatibility. The physiochemical characterization of band material both coated and uncoated was carried out using scanning electron microscope, energy dispersive spectroscopy, atomic force microscopyand contact angle test. Biocompatibility tests for coated band material were carried using L929 mouse fibroblast cell culture and MTT [3-(4, 5-dimethyl thiazol-2-yl)-2, 5-diphenyl tetrazolium bromide] assay. Antimicrobial activity of coated band material against Gram-positive bacteria was tested. A stable and uniform coating of SNPs was obtained. The coated band materials were biocompatible as well as possessed distinct antimicrobial activity. The SNP coated dental bands could be potential antimicrobial dental bands for future clinical use. Further studies need to be done to validate the efficiency of coated band materials in oral environments.
NASA Astrophysics Data System (ADS)
Zhao, Lei; Shu, Haisheng; Liang, Shanjun; Shi, Xiaona; An, Shuowei; Ren, Wanyue; Zhu, Jie
2018-05-01
The torsional wave band gap properties of a two-dimensional generalized phononic crystal (GPC) are investigated in this paper. The GPC structure considered is consisted of two different materials being arranged with radial and circumferential periodicities simultaneously. Based on the viewpoint of energy distribution and the finite element method, the power flow, energy density, sound intensity vector together with the stress field of the structure excited by torsional load are numerically calculated and discussed. Our results show that, the band gap of Bragg type exists in these two-dimensional composite structures, and the band gap range is mainly determined by radial periodicity while the circumferential periodicity would result in some transmission peaks within the band gap. These peaks are mainly produced by two different mechanisms, the energy leakage occurred in circumferential channels and the excitation of the local eigenmodes of certain scatterers. These results may be useful in torsional vibration control for various rotational parts and components, and in the application of energy harvesting, etc.
On Valence-Band Splitting in Layered MoS2.
Zhang, Youwei; Li, Hui; Wang, Haomin; Liu, Ran; Zhang, Shi-Li; Qiu, Zhi-Jun
2015-08-25
As a representative two-dimensional semiconducting transition-metal dichalcogenide (TMD), the electronic structure in layered MoS2 is a collective result of quantum confinement, interlayer interaction, and crystal symmetry. A prominent energy splitting in the valence band gives rise to many intriguing electronic, optical, and magnetic phenomena. Despite numerous studies, an experimental determination of valence-band splitting in few-layer MoS2 is still lacking. Here, we show how the valence-band maximum (VBM) splits for one to five layers of MoS2. Interlayer coupling is found to contribute significantly to phonon energy but weakly to VBM splitting in bilayers, due to a small interlayer hopping energy for holes. Hence, spin-orbit coupling is still predominant in the splitting. A temperature-independent VBM splitting, known for single-layer MoS2, is, thus, observed for bilayers. However, a Bose-Einstein type of temperature dependence of VBM splitting prevails in three to five layers of MoS2. In such few-layer MoS2, interlayer coupling is enhanced with a reduced interlayer distance, but thermal expansion upon temperature increase tends to decouple adjacent layers and therefore decreases the splitting energy. Our findings that shed light on the distinctive behaviors about VBM splitting in layered MoS2 may apply to other hexagonal TMDs as well. They will also be helpful in extending our understanding of the TMD electronic structure for potential applications in electronics and optoelectronics.
NASA Astrophysics Data System (ADS)
Pandiyan, Rajesh; Oulad Elhmaidi, Zakaria; Sekkat, Zouheir; Abd-lefdil, Mohammed; El Khakani, My Ali
2017-02-01
We report here on the use of pulsed KrF-laser deposition (PLD) technique for the growth of high-quality Cu2ZnSnS4 (CZTS) thin films onto Si, and glass substrates without resorting to any post sulfurization process. The PLD-CZTS films were deposited at room temperature (RT) and then subjected to post annealing at different temperatures ranging from 200 to 500 °C in Argon atmosphere. The X-ray diffraction and Raman spectroscopy confirmed that the PLD films crystallize in the characteristic kesterite CZTS structure regardless of their annealing temperature (Ta), but their crystallinity is much improved for Ta ≥ 400 °C. The PLD-CZTS films were found to exhibit a relatively dense morphology with a surface roughness (RMS) that increases with Ta (from ∼14 nm at RT to 70 nm at Ta = 500 °C with a value around 40 nm for Ta = 300-400 °C). The optical bandgap of the PLD-CZTS films, was derived from UV-vis transmission spectra analysis, and found to decrease from 1.73 eV for non-annealed films to ∼1.58 eV for those annealed at Ta = 300 °C. These band gap values are very close to the optimum value needed for an ideal solar cell absorber. In order to achieve a complete reconstruction of the one-dimensional energy band structure of these PLD-CZTS absorbers, we have combined both XPS and UPS spectroscopies to determine their chemical bondings, the position of their valence band maximum (relative to Fermi level), and their work function values. This enabled us to sketch out, as accurately as possible, the band alignment of the heterojunction interface formed between CZTS and both CdS and ZnS buffer layer materials.
Correlation effects and electronic properties of Cr-substituted SZn with an intermediate band.
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.
Excitation of the Werner bands of H2 by electron impact
NASA Technical Reports Server (NTRS)
Stone, E. J.; Zipf, E. C.
1972-01-01
Absolute cross sections for the excitation of the H2 Werner band system were measured from energy threshold to 300 eV for electron impact on H2. The bands were observed in emission in the wavelength region 1100A to 1250A. The measured cross sections were compared with published transition probabilities, leading to the conclusion that the Werner bands are suitable as the basis for a relative spectral response calibration only when the bands are observed under sufficiently high resolution. The effect of the perturbation between the C 1Pi u and B 1 Sigma-u states of the hydrogen molecule was clearly observed in anomalies in the rotational intensity distribution in bands of the (3 v '') progression.
Band alignment in atomically precise graphene nanoribbon junctions
NASA Astrophysics Data System (ADS)
Ma, Chuanxu; Liang, Liangbo; Hong, Kunlun; Li, An-Ping; Xiao, Zhongcan; Lu, Wenchang; Bernholc, Jerry
Building atomically precise graphene nanoribbon (GNR) heterojunctions down to molecular level opens a new realm to functional graphene-based devices. By employing a surface-assisted self-assembly process, we have synthesized heterojunctions of armchair GNRs (aGNR) with widths of seven, fourteen and twenty-one carbon atoms, denoted 7, 14 and 21-aGNR respectively. A combined study with scanning tunneling microscopy (STM) and density functional theory (DFT) allows the visualization of electronic band structures and energy level alignments at the heterojunctions with varying widths. A wide bandgap ( 2.6 eV) has been identified on semiconducting 7-aGNR, while the 14-aGNR appears nearly metallic and the 21-aGNR possesses a narrow bandgap. The spatially modulations of the energy bands are strongly confined at the heterojunctions within a width of about 2 nm. Clear band bending of about 0.4 eV and 0.1 eV are observed at the 7-14 and 14-21 aGNR heterojunctions, respectively. This research was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility.
Reduction in pediatric identification band errors: a quality collaborative.
Phillips, Shannon Connor; Saysana, Michele; Worley, Sarah; Hain, Paul D
2012-06-01
Accurate and consistent placement of a patient identification (ID) band is used in health care to reduce errors associated with patient misidentification. Multiple safety organizations have devoted time and energy to improving patient ID, but no multicenter improvement collaboratives have shown scalability of previously successful interventions. We hoped to reduce by half the pediatric patient ID band error rate, defined as absent, illegible, or inaccurate ID band, across a quality improvement learning collaborative of hospitals in 1 year. On the basis of a previously successful single-site intervention, we conducted a self-selected 6-site collaborative to reduce ID band errors in heterogeneous pediatric hospital settings. The collaborative had 3 phases: preparatory work and employee survey of current practice and barriers, data collection (ID band failure rate), and intervention driven by data and collaborative learning to accelerate change. The collaborative audited 11377 patients for ID band errors between September 2009 and September 2010. The ID band failure rate decreased from 17% to 4.1% (77% relative reduction). Interventions including education of frontline staff regarding correct ID bands as a safety strategy; a change to softer ID bands, including "luggage tag" type ID bands for some patients; and partnering with families and patients through education were applied at all institutions. Over 13 months, a collaborative of pediatric institutions significantly reduced the ID band failure rate. This quality improvement learning collaborative demonstrates that safety improvements tested in a single institution can be disseminated to improve quality of care across large populations of children.
Han, Su-Ting; Zhou, Ye; Yang, Qing Dan; Zhou, Li; Huang, Long-Biao; Yan, Yan; Lee, Chun-Sing; Roy, Vellaisamy A L
2014-02-25
Tunable memory characteristics are used in multioperational mode circuits where memory cells with various functionalities are needed in one combined device. It is always a challenge to obtain control over threshold voltage for multimode operation. On this regard, we use a strategy of shifting the work function of reduced graphene oxide (rGO) in a controlled manner through doping gold chloride (AuCl3) and obtained a gradient increase of rGO work function. By inserting doped rGO as floating gate, a controlled threshold voltage (Vth) shift has been achieved in both p- and n-type low voltage flexible memory devices with large memory window (up to 4 times for p-type and 8 times for n-type memory devices) in comparison with pristine rGO floating gate memory devices. By proper energy band engineering, we demonstrated a flexible floating gate memory device with larger memory window and controlled threshold voltage shifts.
NASA Astrophysics Data System (ADS)
An, Youngseo; Mahata, Chandreswar; Lee, Changmin; Choi, Sungho; Byun, Young-Chul; Kang, Yu-Seon; Lee, Taeyoon; Kim, Jiyoung; Cho, Mann-Ho; Kim, Hyoungsub
2015-10-01
Amorphous Ti1-x Al x O y films in the Ti-oxide-rich regime (x < 0.5) were deposited on p-type GaAs via atomic layer deposition with titanium isopropoxide, trimethylaluminum, and H2O precursor chemistry. The electrical properties and energy band alignments were examined for the resulting materials with their underlying substrates, and significant frequency dispersion was observed in the accumulation region of the Ti-oxide-rich Ti1-x Al x O y films. Although a further reduction in the frequency dispersion and leakage current (under gate electron injection) could be somewhat achieved through a greater addition of Al-oxide in the Ti1-x Al x O y film, the simultaneous decrease in the dielectric constant proved problematic in finding an optimal composition for application as a gate dielectric on GaAs. The spectroscopic band alignment measurements of the Ti-oxide-rich Ti1-x Al x O y films indicated that the band gaps had a rather slow increase with the addition of Al-oxide, which was primarily compensated for by an increase in the valance band offset, while a nearly-constant conduction band offset with a negative electron barrier height was maintained.
Band gap opening in α-graphyne by adsorption of organic molecule
NASA Astrophysics Data System (ADS)
Majidi, R.; Karami, A. R.
2014-09-01
The lack of a band gap limits the application of graphyne in nanoelectronic devices. We have investigated possibility of opening a band gap in α-graphyne by adsorption of tetracyanoethylene. The electronic property of α-graphyne in the presence of different numbers of tetracyanoethylene has been studied using density functional theory. It is found that charge is transferred from graphyne sheet to tetracyanoethylene molecules. In the presence of this electron acceptor molecule, a semimetal α-graphyne shows semiconducting property. The energy band gap at the Dirac point is enhanced by increasing the number of tetracyanoethylene. Our results provide a simple method to create and control the band gap in α-graphyne.
NASA Astrophysics Data System (ADS)
Pandey, J. C.; Choubey, P. N.; Raj, Manish
2008-07-01
The article presents the investigation results of inclusion bands generally formed toward the loose end/inner radius of continuously cast (CC) strands of thermomechanically treated (TMT) rebar grade cast through curved molds. The main analytical tool used for this purpose was an ultrasonic C-scan image analysis system to reveal this band, and the defects detected in this band using the preceding technique were further measured and analyzed in an optical microscope and a scanning electron microscope (SEM) using energy-dispersive system (EDS). The investigation results revealed the presence of macrolevel globular macroinclusions in the size range 50 to 711 μm. The main constituents of the globular inclusions were found to be SiO2 and MnO. Impact test results revealed reduction in ductility in these bands when compared with the billet material without inclusion band toward the opposite face from the inner radius face. In Charpy testing, reduction in the impact energy in these bands was found to be 0.2 kg m. It is important to monitor the severity of macroinclusions present in these bands to avoid the cracking of TMT rebars during hot rolling.
Band gap scaling laws in group IV nanotubes.
Wang, Chongze; Fu, Xiaonan; Guo, Yangyang; Guo, Zhengxiao; Xia, Congxin; Jia, Yu
2017-03-17
By using the first-principles calculations, the band gap properties of nanotubes formed by group IV elements have been investigated systemically. Our results reveal that for armchair nanotubes, the energy gaps at K points in the Brillouin zone decrease as 1/r scaling law with the radii (r) increasing, while they are scaled by -1/r 2 + C at Γ points, here, C is a constant. Further studies show that such scaling law of K points is independent of both the chiral vector and the type of elements. Therefore, the band gaps of nanotubes for a given radius can be determined by these scaling laws easily. Interestingly, we also predict the existence of indirect band gap for both germanium and tin nanotubes. Our new findings provide an efficient way to determine the band gaps of group IV element nanotubes by knowing the radii, as well as to facilitate the design of functional nanodevices.
A Unifying Perspective on Oxygen Vacancies in Wide Band Gap Oxides.
Linderälv, Christopher; Lindman, Anders; Erhart, Paul
2018-01-04
Wide band gap oxides are versatile materials with numerous applications in research and technology. Many properties of these materials are intimately related to defects, with the most important defect being the oxygen vacancy. Here, using electronic structure calculations, we show that the charge transition level (CTL) and eigenstates associated with oxygen vacancies, which to a large extent determine their electronic properties, are confined to a rather narrow energy range, even while band gap and the electronic structure of the conduction band vary substantially. Vacancies are classified according to their character (deep versus shallow), which shows that the alignment of electronic eigenenergies and CTL can be understood in terms of the transition between cavity-like localized levels in the large band gap limit and strong coupling between conduction band and vacancy states for small to medium band gaps. We consider both conventional and hybrid functionals and demonstrate that the former yields results in very good agreement with the latter provided that band edge alignment is taken into account.
A doubly curved reflector X-band antenna with integrated IFF array
NASA Astrophysics Data System (ADS)
Alia, F.; Barbati, S.
Primary radar antennas and Identification Friend or Foe (IFF) antennas must rotate with the same speed and synchronism, so that the target echo and IFF transponder mark will appear to the operator at the same time and at the same angular direction. A doubly-curved reflector antenna with a six-element microstrip array integrated in the reflector surface is presented to meet this requirement. The main antenna operates at X-band for low angle search radar, while the secondary antenna operates at L-band for IFF functions. The new configuration minimizes masking of the X-band radiated energy as a result of the IFF L-band elements. In fact, the only effect of the microstrip array on the X-band radiation pattern is the presence of several sidelobes in the + or - 90 deg angular region. The proposed new solution is compared to three other L-band/X-band integrated antenna configurations, and is found to be more advantageous with respect to masking, mechanical aspects, and production costs.
NASA Astrophysics Data System (ADS)
Croll, Bryce; Jayawardhana, Ray; Fortney, Jonathan J.; Lafrenière, David; Albert, Loic
2010-08-01
We present H- and Ks-band photometry bracketing the secondary eclipse of the hot Jupiter TrES-3b using the Wide-field Infrared Camera on the Canada-France-Hawaii Telescope. We detect the secondary eclipse of TrES-3b with a depth of 0.133+0.018 -0.016% in the Ks band (8σ)—a result that is in sharp contrast to the eclipse depth reported by de Mooij & Snellen. We do not detect its thermal emission in the H band, but place a 3σ limit of 0.051% on the depth of the secondary eclipse in this band. A secondary eclipse of this depth in Ks requires very efficient day-to-nightside redistribution of heat and nearly isotropic reradiation, a conclusion that is in agreement with longer wavelength, mid-infrared Spitzer observations. Our 3σ upper limit on the depth of our H-band secondary eclipse also argues for very efficient redistribution of heat and suggests that the atmospheric layer probed by these observations may be well homogenized. However, our H-band upper limit is so constraining that it suggests the possibility of a temperature inversion at depth, or an absorbing molecule, such as methane, that further depresses the emitted flux at this wavelength. The combination of our near-infrared measurements and those obtained with Spitzer suggests that TrES-3b displays a near-isothermal dayside atmospheric temperature structure, whose spectrum is well approximated by a blackbody. We emphasize that our strict H-band limit is in stark disagreement with the best-fit atmospheric model that results from longer wavelength observations only, thus highlighting the importance of near-infrared observations at multiple wavelengths, in addition to those returned by Spitzer in the mid-infrared, to facilitate a comprehensive understanding of the energy budgets of transiting exoplanets. Based on observations obtained with WIRCam, a joint project of CFHT, Taiwan, Korea, Canada, France, at the Canada-France-Hawaii Telescope (CFHT) which is operated by the National Research Council (NRC) of
Multicolor emission from intermediate band semiconductor ZnO 1-xSe x
DOE Office of Scientific and Technical Information (OSTI.GOV)
Welna, M.; Baranowski, M.; Linhart, W. M.
Photoluminescence and photomodulated reflectivity measurements of ZnOSe alloys are used to demonstrate a splitting of the valence band due to the band anticrossing interaction between localized Se states and the extended valence band states of the host ZnO matrix. A strong multiband emission associated with optical transitions from the conduction band to lower E - and upper E + valence subbands has been observed at room temperature. The composition dependence of the optical transition energies is well explained by the electronic band structure calculated using the kp method combined with the band anticrossing model. The observation of the multiband emissionmore » is possible because of relatively long recombination lifetimes. Longer than 1 ns lifetimes for holes photoexcited to the lower valence subband offer a potential of using the alloy as an intermediate band semiconductor for solar power conversion applications.« less
Multicolor emission from intermediate band semiconductor ZnO 1-xSe x
Welna, M.; Baranowski, M.; Linhart, W. M.; ...
2017-03-13
Photoluminescence and photomodulated reflectivity measurements of ZnOSe alloys are used to demonstrate a splitting of the valence band due to the band anticrossing interaction between localized Se states and the extended valence band states of the host ZnO matrix. A strong multiband emission associated with optical transitions from the conduction band to lower E - and upper E + valence subbands has been observed at room temperature. The composition dependence of the optical transition energies is well explained by the electronic band structure calculated using the kp method combined with the band anticrossing model. The observation of the multiband emissionmore » is possible because of relatively long recombination lifetimes. Longer than 1 ns lifetimes for holes photoexcited to the lower valence subband offer a potential of using the alloy as an intermediate band semiconductor for solar power conversion applications.« less
NASA Astrophysics Data System (ADS)
Abramkin, D. S.; Gutakovskii, A. K.; Shamirzaev, T. S.
2018-03-01
The experimental ascertainment of band alignment type for semiconductor heterostructures with diffused interfaces is discussed. A method based on the analysis of the spectral shift of photoluminescence (PL) band with excitation density (Pex) that takes into account state filling and band bending effects on the PL band shift is developed. It is shown that the shift of PL band maximum position is proportional to ℏωmax ˜ (Ue + Uh).ln(Pex) + b.Pex1/3, where Ue (Uh) are electron (hole) Urbach energy tail, and parameter b characterizes the effect of band bending or is equal to zero for heterostructures with type-II or type-I band alignment, respectively. The method was approved with InAs/AlAs, GaAs/AlAs, GaSb/AlAs, and AlSb/AlAs heterostructures containing quantum wells.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kamimura, Sunao, E-mail: kamimura-sunao@che.kyutech.ac.jp; National Institute of Advanced Industrial Science and Technology; Department of Molecular and Material Sciences, Interdisciplinary Graduate School of Engineering Science, Kyushu University, 6-1 Kasuga Kouen, Kasuga, Fukuoka 816-8580 Japan
The electronic structure of Sr{sub 3}Sn{sub 2}O{sub 7} is evaluated by the scalar-relativistic full potential linearized augmented plane wave (FLAPW+lo) method using the modified Becke–Johnson potential (Tran–Blaha potential) combined with the local density approximation correlation (MBJ–LDA). The fundamental gap between the valence band (VB) and conduction band (CB) is estimated to be 3.96 eV, which is close to the experimental value. Sn 5s states and Sr 4d states are predominant in the lower and upper CB, respectively. On the other hand, the lower VB is mainly composed of Sn 5s, 5p, and O 2p states, while the upper VB mainlymore » consists of O 2p states. These features of the DOS are well reflected by the optical transition between the upper VB and lower CB, as seen in the energy dependence of the dielectric function. Furthermore, the absorption coefficient estimated from the MBJ–LDA is similar to the experimental result. - Graphical abstract: Calculated energy band structure along the symmetry lines of the first BZ of Sr{sub 3}Sn{sub 2}O{sub 7} crystal obtained using the MBJ potential. - Highlights: • Electronic structure of Sr{sub 3}Sn{sub 2}O{sub 7} is calculated on the basis of MBJ–LDA method for the first time. • Band gap of Sr{sub 3}Sn{sub 2}O{sub 7} is determined accurately on the basis of MBJ–LDA method. • The experimental absorption spectrum of Sr{sub 3}Sn{sub 2}O{sub 7} produced by MBJ–LDA is more accurate than that obtained by GGA method.« less
Huh, Yoon Ho; Park, Byoungchoo
2013-01-14
We herein report on the improved photovoltaic (PV) effects of using a polymer bulk-heterojunction (BHJ) layer that consists of a low-band gap electron donor polymer of poly(N-9'-heptadecanyl-2,7-carbazole-alt-5,5-(4',7'-di-2-thienyl-2',1',3'-benzothiadiazole)) (PCDTBT) and an acceptor of [6,6]-phenyl C₇₁ butyric acid methyl ester (PCBM₇₀), doped with an interface-engineering surfactant additive of poly(oxyethylene tridecyl ether) (PTE). The presence of an interface-engineering additive in the PV layer results in excellent performance; the addition of PTE to a PCDTBT:PCBM₇₀ system produces a power conversion efficiency (PCE) of 6.0%, which is much higher than that of a reference device without the additive (4.9%). We attribute this improvement to an increased charge carrier lifetime, which is likely to be the result of the presence of PTE molecules oriented at the interfaces between the BHJ PV layer and the anode and cathode, as well as at the interfaces between the phase-separated BHJ domains. Our results suggest that the incorporation of the PTE interface-engineering additive in the PCDTBT:PCBM₇₀ PV layer results in a functional composite system that shows considerable promise for use in efficient polymer BHJ PV cells.
Enhanced tunable narrow-band THz emission from laser-modulated electron beams
DOE Office of Scientific and Technical Information (OSTI.GOV)
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 andmore » 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.« less
Dual-Band Band-Pass Filter with Fixed Low Band and Fluidically-Tunable High Band
Park, Eiyong; Lim, Daecheon
2017-01-01
In this work, we present a dual-band band-pass filter with fixed low-band resonant frequency and tunable high-band resonant frequency. The proposed filter consists of two split-ring resonators (SRRs) with a stub and microfluidic channels. The lower resonant frequency is determined by the length of the SRR alone, whereas the higher resonant frequency is determined by the lengths of the SRR and the stub. Using this characteristic, we fix the lower resonant frequency by fixing the SRR length and tune the higher resonant frequency by controlling the stub length by injecting liquid metal in the microfluidic channel. We fabricated the filter on a Duroid substrate. The microfluidic channel was made from polydimethylsiloxane (PDMS), and eutectic gallium–indium (EGaIn) was used as the liquid metal. This filter operates in two states—with, and without, the liquid metal. In the state without the liquid metal, the filter has resonant frequencies at 1.85 GHz and 3.06 GHz, with fractional bandwidths of 4.34% and 2.94%, respectively; and in the state with the liquid metal, it has resonant frequencies at 1.86 GHz and 2.98 GHz, with fractional bandwidths of 4.3% and 2.95%, respectively. PMID:28813001
Methods and energy storage devices utilizing electrolytes having surface-smoothing additives
Xu, Wu; Zhang, Jiguang; Graff, Gordon L; Chen, Xilin; Ding, Fei
2015-11-12
Electrodeposition and energy storage devices utilizing an electrolyte having a surface-smoothing additive can result in self-healing, instead of self-amplification, of initial protuberant tips that give rise to roughness and/or dendrite formation on the substrate and anode surface. For electrodeposition of a first metal (M1) on a substrate or anode from one or more cations of M1 in an electrolyte solution, the electrolyte solution is characterized by a surface-smoothing additive containing cations of a second metal (M2), wherein cations of M2 have an effective electrochemical reduction potential in the solution lower than that of the cations of M1.
Fang, Yun-Tuan; Ni, Zhi-Yao; Zhu, Na; Zhou, Jun
2016-01-13
We propose a new mechanism to achieve light localization and slow light. Through the study on the coupling of two magnetic surface modes, we find a special convex band that takes on a negative refraction effect. The negative refraction results in an energy flow concellation effect from two degenerated modes on the convex band. The energy flow concellation effect leads to forming of the self-trapped and slow light bands. In the self-trapped band light is localized around the source without reflection wall in the waveguide direction, whereas in the slow light band, light becomes the standing-waves and moving standing-waves at the center and the two sides of the waveguide, respectively.
Interpreting Methanol v(sub 2)-Band Emission in Comets Using Empirical Fluorescence g-Factors
NASA Technical Reports Server (NTRS)
DiSanti, Michael; Villanueva, G. L.; Bonev, B. P.; Mumma, M. J.; Paganini, L.; Gibb, E. L.; Magee-Sauer, K.
2011-01-01
For many years we have been developing the ability, through high-resolution spectroscopy targeting ro-vibrational emission in the approximately 3 - 5 micrometer region, to quantify a suite of (approximately 10) parent volatiles in comets using quantum mechanical fluorescence models. Our efforts are ongoing and our latest includes methanol (CH3OH). This is unique among traditionally targeted species in having lacked sufficiently robust models for its symmetric (v(sub 3) band) and asymmetric (v(sub 2) and v(sub 9) bands) C-H3 stretching modes, required to provide accurate predicted intensities for individual spectral lines and hence rotational temperatures and production rates. This has provided the driver for undertaking a detailed empirical study of line intensities, and has led to substantial progress regarding our ability to interpret CH3OH in comets. The present study concentrates on the spectral region from approximately 2970 - 3010 per centimeter (3.367 - 3.322 micrometer), which is dominated by emission in the (v(sub 7) band of C2H6 and the v(sub 2) band of CH3OH, with minor contributions from CH3OH (v(sub 9) band), CH4 (v(sub 3)), and OH prompt emissions (v(sub 1) and v(sub 2)- v(sub 1)). Based on laboratory jet-cooled spectra (at a rotational temperature near 20 K)[1], we incorporated approximately 100 lines of the CH3OH v(sub 2) band, having known frequencies and lower state rotational energies, into our model. Line intensities were determined through comparison with several comets we observed with NIRSPEC at Keck 2, after removal of continuum and additional molecular emissions and correcting for atmospheric extinction. In addition to the above spectral region, NIRSPEC allows simultaneous sampling of the CH3OH v(sub 3) band (centered at 2844 per centimeter, or 3.516 micrometers and several hot bands of H2O in the approximately 2.85 - 2.9 micrometer region, at a nominal spectral resolving power of approximately 25,000 [2]. Empirical g-factors for v(sub 2
[Effect of biologically active food additives on energy metabolism and human body weight].
Gapparov, M M
1999-01-01
Review is devoted to analysis of human energy requirements depending on age, sex, occupational and living condition. Special attention was paid to importance of strict balance in organism between consumption and expense of energy. Modern views on mechanism of action food supplements as additional instrument of regulation of energy metabolism for correction of surplus body weight is given. Review is the first attempt of systematisation of biologically active food supplements according to their mechanism of action both on nutrition processes and on biochemical mechanisms of assimilation and utilisation of macronutrients, in particular of fats and carbohydrates.
Quasiparticle semiconductor band structures including spin-orbit interactions.
Malone, Brad D; Cohen, Marvin L
2013-03-13
We present first-principles calculations of the quasiparticle band structure of the group IV materials Si and Ge and the group III-V compound semiconductors AlP, AlAs, AlSb, InP, InAs, InSb, GaP, GaAs and GaSb. Calculations are performed using the plane wave pseudopotential method and the 'one-shot' GW method, i.e. G(0)W(0). Quasiparticle band structures, augmented with the effects of spin-orbit, are obtained via a Wannier interpolation of the obtained quasiparticle energies and calculated spin-orbit matrix. Our calculations explicitly treat the shallow semicore states of In and Ga, which are known to be important in the description of the electronic properties, as valence states in the quasiparticle calculation. Our calculated quasiparticle energies, combining both the ab initio evaluation of the electron self-energy and the vector part of the pseudopotential representing the spin-orbit effects, are in generally very good agreement with experimental values. These calculations illustrate the predictive power of the methodology as applied to group IV and III-V semiconductors.
Brandhorst, Jr., Henry W.; Chen, Zheng
2000-01-01
Efficient thermophotovoltaic conversion can be performed using photovoltaic devices with a band gap in the 0.75-1.4 electron volt range, and selective infrared emitters chosen from among the rare earth oxides which are thermally stimulated to emit infrared radiation whose energy very largely corresponds to the aforementioned band gap. It is possible to use thermovoltaic devices operating at relatively high temperatures, up to about 300.degree. C., without seriously impairing the efficiency of energy conversion.
Ultra-wide acoustic band gaps in pillar-based phononic crystal strips
DOE Office of Scientific and Technical Information (OSTI.GOV)
Coffy, Etienne, E-mail: etienne.coffy@femto-st.fr; Lavergne, Thomas; Addouche, Mahmoud
2015-12-07
An original approach for designing a one dimensional phononic crystal strip with an ultra-wide band gap is presented. The strip consists of periodic pillars erected on a tailored beam, enabling the generation of a band gap that is due to both Bragg scattering and local resonances. The optimized combination of both effects results in the lowering and the widening of the main band gap, ultimately leading to a gap-to-midgap ratio of 138%. The design method used to improve the band gap width is based on the flattening of phononic bands and relies on the study of the modal energy distributionmore » within the unit cell. The computed transmission through a finite number of periods corroborates the dispersion diagram. The strong attenuation, in excess of 150 dB for only five periods, highlights the interest of such ultra-wide band gap phononic crystal strips.« less
New edge-centered photonic square lattices with flat bands
NASA Astrophysics Data System (ADS)
Zhang, Da; Zhang, Yiqi; Zhong, Hua; Li, Changbiao; Zhang, Zhaoyang; Zhang, Yanpeng; Belić, Milivoj R.
2017-07-01
We report a new class of edge-centered photonic square lattices with multiple flat bands, and consider in detail two examples: the Lieb-5 and Lieb-7 lattices. In these lattices, there are 5 and 7 sites in the unit cell and in general, the number is restricted to odd integers. The number of flat bands m in the new Lieb lattices is related to the number of sites N in the unit cell by a simple formula m =(N - 1) / 2. The flat bands reported here are independent of the pseudomagnetic field. The properties of lattices with even and odd number of flat bands are different. We consider the localization of light in such Lieb lattices. If the input beam excites the flat-band mode, it will not diffract during propagation, owing to the strong mode localization. In the Lieb-7 lattice, the beam will also oscillate during propagation and still not diffract. The period of oscillation is determined by the energy difference between the two flat bands. This study provides a new platform for investigating light trapping, photonic topological insulators, and pseudospin-mediated vortex generation.
Strain fields induced by kink band propagation in Cu-Nb nanolaminate composites
Nizolek, T. J.; Begley, M. R.; McCabe, R. J.; ...
2017-07-01
Kink band formation is a common deformation mode for anisotropic materials and has been observed in polymer matrix fiber composites, single crystals, geological formations, and recently in metallic nanolaminates. While numerous studies have been devoted to kink band formation, the majority do not consider the often rapid and unstable process of kink band propagation. In this paper, we take advantage of stable kink band formation in Cu-Nb nanolaminates to quantitatively map the local strain fields surrounding a propagating kink band during uniaxial compression. Kink bands are observed to initiate at specimen edges, propagate across the sample during a rising globalmore » stress, and induce extended strain fields in the non-kinked material surrounding the propagating kink band. Finally, it is proposed that these stress/strain fields significantly contribute to the total energy dissipated during kinking and, analogous to crack tip stress/strain fields, influence the direction of kink propagation and therefore the kink band inclination angle.« less
Triple-band metamaterial absorption utilizing single rectangular hole
NASA Astrophysics Data System (ADS)
Kim, Seung Jik; Yoo, Young Joon; Kim, Young Ju; Lee, YoungPak
2017-01-01
In the general metamaterial absorber, the single absorption band is made by the single meta-pattern. Here, we introduce the triple-band metamaterial absorber only utilizing single rectangular hole. We also demonstrate the absorption mechanism of the triple absorption. The first absorption peak was caused by the fundamental magnetic resonance in the metallic part between rectangular holes. The second absorption was generated by induced tornado magnetic field. The process of realizing the second band is also presented. The third absorption was induced by the third-harmonic magnetic resonance in the metallic region between rectangular holes. In addition, the visible-range triple-band absorber was also realized by using similar but smaller single rectangular-hole structure. These results render the simple metamaterials for high frequency in large scale, which can be useful in the fabrication of metamaterials operating in the optical range.
Band gap structures for 2D phononic crystals with composite scatterer
NASA Astrophysics Data System (ADS)
Qi, Xiao-qiao; Li, Tuan-jie; Zhang, Jia-long; Zhang, Zhen; Tang, Ya-qiong
2018-05-01
We investigated the band gap structures in two-dimensional phononic crystals with composite scatterer. The composite scatterers are composed of two materials (Bragg scattering type) or three materials (locally resonance type). The finite element method is used to calculate the band gap structure, eigenmodes and transmission spectrum. The variation of the location and width of band gap are also investigated as a function of material ratio in the scatterer. We have found that the change trends the widest band gap of the two phononic crystals are different as the material ratio changing. In addition to this, there are three complete band gaps at most for the Bragg-scattering-type phononic crystals in the first six bands; however, the locally resonance-type phononic crystals exist only two complete band gap at most in the first six bands. The gap-tuning effect can be controlled by the material ratio in the scatterer.
NASA Astrophysics Data System (ADS)
Mandal, Ipsita; Nandkishore, Rahul M.
2018-03-01
Coulomb interactions famously drive three-dimensional quadratic band crossing semimetals into a non-Fermi liquid phase of matter. In a previous work [Nandkishore and Parameswaran, Phys. Rev. B 95, 205106 (2017), 10.1103/PhysRevB.95.205106], the effect of disorder on this non-Fermi liquid phase was investigated, assuming that the band structure was isotropic, assuming that the conduction and valence bands had the same band mass, and assuming that the disorder preserved exact time-reversal symmetry and statistical isotropy. It was shown that the non-Fermi liquid fixed point is unstable to disorder and that a runaway flow to strong disorder occurs. In this paper, we extend that analysis by relaxing the assumption of time-reversal symmetry and allowing the electron and hole masses to differ (but continuing to assume isotropy of the low energy band structure). We first incorporate time-reversal symmetry breaking disorder and demonstrate that there do not appear any new fixed points. Moreover, while the system continues to flow to strong disorder, time-reversal-symmetry-breaking disorder grows asymptotically more slowly than time-reversal-symmetry-preserving disorder, which we therefore expect should dominate the strong-coupling phase. We then allow for unequal electron and hole masses. We show that whereas asymmetry in the two masses is irrelevant in the clean system, it is relevant in the presence of disorder, such that the `effective masses' of the conduction and valence bands should become sharply distinct in the low-energy limit. We calculate the RG flow equations for the disordered interacting system with unequal band masses and demonstrate that the problem exhibits a runaway flow to strong disorder. Along the runaway flow, time-reversal-symmetry-preserving disorder grows asymptotically more rapidly than both time-reversal-symmetry-breaking disorder and the Coulomb interaction.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Apostol, Nicoleta Georgiana, E-mail: nicoleta.apostol@infim.ro
2014-11-24
This work reports on the use of X-ray photoelectron spectroscopy to quantify band bending at ferroelectric free surfaces and at their interfaces with metals. Surfaces exhibiting out-of-plane ferroelectric polarization are characterized by a band bending, due to the formation of a dipole layer at the surface, composed by the uncompensated polarization charges (due to ionic displacement) and to the depolarization charge sheet of opposite sign, composed by mobile charge carriers, which migrate near surface, owing to the depolarization electric field. To this surface band bending due to out-of-plane polarization states, metal-semiconductor Schottky barriers must be considered additionally when ferroelectrics aremore » covered by metal layers. It is found that the net band bending is not always an algebraic sum of the two effects discussed above, since sometimes the metal is able to provide additional charge carriers, which are able to fully compensate the surface charge of the ferroelectric, up to the vanishing of the ferroelectric band bending. The two cases which will be discussed in more detail are Au and Cu deposited by molecular beam epitaxy on PbZr{sub 0.2}Ti{sub 0.8}O{sub 3}(001) single crystal thin layers, prepared by pulsed laser deposition. Gold forms unconnected nanoparticles, and their effect on the band bending is the apparition of a Schottky band bending additional to the band bending due to the out-of-plane polarization. Copper, starting with a given thickness, forms continuous metal layers connected to the ground of the system, and provide electrons in sufficient quantity to compensate the band bending due to the out-of-plane polarization.« less
Cho, Sangbuem; Mbiriri, David Tinotenda; Shim, Kwanseob; Lee, A-Leum; Oh, Seong-Jin; Yang, Jinho; Ryu, Chaehwa; Kim, Young-Hoon; Seo, Kang-Seok; Chae, Jung-Il; Oh, Young Kyoon; Choi, Nag-Jin
2014-01-01
The present study investigated the optimum blending condition of protected fat, choline and yeast culture for lowering of rumen temperature. The Box Benken experimental design, a fractional factorial arrangement, and response surface methodology were employed. The optimum blending condition was determined using the rumen simulated in vitro fermentation. An additive formulated on the optimum condition contained 50% of protected fat, 25% of yeast culture, 5% of choline, 7% of organic zinc, 6.5% of cinnamon, and 6.5% of stevioside. The feed additive was supplemented at a rate of 0.1% of diet (orchard grass:concentrate, 3:7) and compared with a control which had no additive. The treatment resulted in lower volatile fatty acid (VFA) concentration and biogas than the control. To investigate the effect of the optimized additive and feed energy levels on rumen and rectal temperatures, four rumen cannulated Hanwoo (Korean native beef breed) steers were in a 4×4 Latin square design. Energy levels were varied to low and high by altering the ratio of forage to concentrate in diet: low energy (6:4) and high energy (4:6). The additive was added at a rate of 0.1% of the diet. The following parameters were measured; feed intake, rumen and rectal temperatures, ruminal pH and VFA concentration. This study was conducted in an environmentally controlled house with temperature set at 30°C and relative humidity levels of 70%. Steers were housed individually in raised crates to facilitate collection of urine and feces. The adaptation period was for 14 days, 2 days for sampling and 7 days for resting the animals. The additive significantly reduced both rumen (p<0.01) and rectal temperatures (p<0.001) without depressed feed intake. There were interactions (p<0.01) between energy level and additive on ruminal temperature. Neither additive nor energy level had an effect on total VFA concentration. The additive however, significantly increased (p<0.01) propionate and subsequently had lower
Cho, Sangbuem; Mbiriri, David Tinotenda; Shim, Kwanseob; Lee, A-Leum; Oh, Seong-Jin; Yang, Jinho; Ryu, Chaehwa; Kim, Young-Hoon; Seo, Kang-Seok; Chae, Jung-Il; Oh, Young Kyoon; Choi, Nag-Jin
2014-11-01
The present study investigated the optimum blending condition of protected fat, choline and yeast culture for lowering of rumen temperature. The Box Benken experimental design, a fractional factorial arrangement, and response surface methodology were employed. The optimum blending condition was determined using the rumen simulated in vitro fermentation. An additive formulated on the optimum condition contained 50% of protected fat, 25% of yeast culture, 5% of choline, 7% of organic zinc, 6.5% of cinnamon, and 6.5% of stevioside. The feed additive was supplemented at a rate of 0.1% of diet (orchard grass:concentrate, 3:7) and compared with a control which had no additive. The treatment resulted in lower volatile fatty acid (VFA) concentration and biogas than the control. To investigate the effect of the optimized additive and feed energy levels on rumen and rectal temperatures, four rumen cannulated Hanwoo (Korean native beef breed) steers were in a 4×4 Latin square design. Energy levels were varied to low and high by altering the ratio of forage to concentrate in diet: low energy (6:4) and high energy (4:6). The additive was added at a rate of 0.1% of the diet. The following parameters were measured; feed intake, rumen and rectal temperatures, ruminal pH and VFA concentration. This study was conducted in an environmentally controlled house with temperature set at 30°C and relative humidity levels of 70%. Steers were housed individually in raised crates to facilitate collection of urine and feces. The adaptation period was for 14 days, 2 days for sampling and 7 days for resting the animals. The additive significantly reduced both rumen (p<0.01) and rectal temperatures (p<0.001) without depressed feed intake. There were interactions (p<0.01) between energy level and additive on ruminal temperature. Neither additive nor energy level had an effect on total VFA concentration. The additive however, significantly increased (p<0.01) propionate and subsequently had lower
Nuts and Bolts of the Ion Band State Theory
NASA Astrophysics Data System (ADS)
Chubb, Scott R.
2005-12-01
The nuts and bolts of our ion band state 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 PdHx, this bonding is strongly correlated with loading. In ambient loading conditions (x ≲ 0.6), bonding inhibits ion band state occupation. As x → 1, slight increases and decreases in loading can induce "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. In the past, implicitly, we have used these facts to justify our ion band state theory. Here, we present a more formal justification, based on the relationship between H(D) ion band states (IBS's) and H(D) phonons that includes a microscopic picture that explains why occupation of IBS's can occur in PdD and PdH and how this can lead to nuclear reactions.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Erdemir, Ali
This project was funded under the Department of Energy (DOE) Lab Call on Nanomanufacturing for Energy Efficiency and was directed toward the development of novel boron-based nanocolloidal lubrication additives for improving the friction and wear performance of machine components in a wide range of industrial and transportation applications. Argonne's research team concentrated on the scientific and technical aspects of the project, using a range of state-of-the art analytical and tribological test facilities. Argonne has extensive past experience and expertise in working with boron-based solid and liquid lubrication additives, and has intellectual property ownership of several. There were two industrial collaboratorsmore » in this project: Ashland Oil (represented by its Valvoline subsidiary) and Primet Precision Materials, Inc. (a leading nanomaterials company). There was also a sub-contract with the University of Arkansas. The major objectives of the project were to develop novel boron-based nanocolloidal lubrication additives and to optimize and verify their performance under boundary-lubricated sliding conditions. The project also tackled problems related to colloidal dispersion, larger-scale manufacturing and blending of nano-additives with base carrier oils. Other important issues dealt with in the project were determination of the optimum size and concentration of the particles and compatibility with various base fluids and/or additives. Boron-based particulate additives considered in this project included boric acid (H{sub 3}BO{sub 3}), hexagonal boron nitride (h-BN), boron oxide, and borax. As part of this project, we also explored a hybrid MoS{sub 2} + boric acid formulation approach for more effective lubrication and reported the results. The major motivation behind this work was to reduce energy losses related to friction and wear in a wide spectrum of mechanical systems and thereby reduce our dependence on imported oil. Growing concern over
DOE Office of Scientific and Technical Information (OSTI.GOV)
Moore, James E.; Purdue University, West Lafayette, Indiana 47907; Hages, Charles J.
2016-07-11
Cu{sub 2}ZnSn(S,Se){sub 4} (CZTSSe) solar cells typically exhibit high short-circuit current density (J{sub sc}), but have reduced cell efficiencies relative to other thin film technologies due to a deficit in the open-circuit voltage (V{sub oc}), which prevent these devices from becoming commercially competitive. Recent research has attributed the low V{sub oc} in CZTSSe devices to small scale disorder that creates band tail states within the absorber band gap, but the physical processes responsible for this V{sub oc} reduction have not been elucidated. In this paper, we show that carrier recombination through non-mobile band tail states has a strong voltage dependencemore » and is a significant performance-limiting factor, and including these effects in simulation allows us to simultaneously explain the V{sub oc} deficit, reduced fill factor, and voltage-dependent quantum efficiency with a self-consistent set of material parameters. Comparisons of numerical simulations to measured data show that reasonable values for the band tail parameters (characteristic energy, capture rate) can account for the observed low V{sub oc}, high J{sub sc}, and voltage dependent collection efficiency. These results provide additional evidence that the presence of band tail states accounts for the low efficiencies of CZTSSe solar cells and further demonstrates that recombination through non-mobile band tail states is the dominant efficiency limiting mechanism.« less
Nitric oxide excited under auroral conditions: Excited state densities and band emissions
NASA Astrophysics Data System (ADS)
Cartwright, D. C.; Brunger, M. J.; Campbell, L.; Mojarrabi, B.; Teubner, P. J. O.
2000-09-01
Electron impact excitation of vibrational levels in the ground electronic state and nine excited electronic states in NO has been simulated for an IBC II aurora (i.e., ˜10 kR in 3914 Å radiation) in order to predict NO excited state number densities and band emission intensities. New integral electron impact excitation cross sections for NO were combined with a measured IBC II auroral secondary electron distribution, and the vibrational populations of 10 NO electronic states were determined under conditions of statistical equilibrium. This model predicts an extended vibrational distribution in the NO ground electronic state produced by radiative cascade from the seven higher-lying doublet excited electronic states populated by electron impact. In addition to significant energy storage in vibrational excitation of the ground electronic state, both the a 4Π and L2 Φ excited electronic states are predicted to have relatively high number densities because they are only weakly connected to lower electronic states by radiative decay. Fundamental mode radiative transitions involving the lowest nine excited vibrational levels in the ground electronic state are predicted to produce infrared (IR) radiation from 5.33 to 6.05 μm with greater intensity than any single NO electronic emission band. Fundamental mode radiative transitions within the a 4Π electronic state, in the 10.08-11.37 μm region, are predicted to have IR intensities comparable to individual electronic emission bands in the Heath and ɛ band systems. Results from this model quantitatively predict the vibrational quantum number dependence of the NO IR measurements of Espy et al. [1988].
The size effect to O2- -Ce4+ charge transfer emission and band gap structure of Sr2 CeO4.
Wang, Wenjun; Pan, Yu; Zhang, Wenying; Liu, Xiaoguang; Li, Ling
2018-04-24
Sr 2 CeO 4 phosphors with different crystalline sizes were synthesized by the sol-gel method or the solid-state reaction. Their crystalline size, luminescence intensity of O 2- -Ce 4+ charge transfer and energy gaps were obtained through the characterization by X-ray diffraction, photoluminescence spectra, as well as UV-visible diffuse reflectance measurements. An inverse relationship between photoluminescence (PL) spectra and crystalline size was observed when the heating temperature was from 1000°C to 1300°C. In addition, band energy calculated for all samples showed that a reaction temperature of 1200°C for the solid-state method and 1100°C for sol-gel method gave the largest values, which corresponded with the smallest crystalline size. Correlation between PL intensity and crystalline size showed an inverse relationship. Band structure, density of states and partial density of states of the crystal were calculated to analyze the mechanism using the cambrige sequential total energy package (CASTEP) module integrated with Materials Studio software. Copyright © 2018 John Wiley & Sons, Ltd.
Band gap tuning of amorphous Al oxides by Zr alloying
DOE Office of Scientific and Technical Information (OSTI.GOV)
Canulescu, S., E-mail: stec@fotonik.dtu.dk; Schou, J.; Jones, N. C.
2016-08-29
The optical band gap and electronic structure of amorphous Al-Zr mixed oxides with Zr content ranging from 4.8 to 21.9% were determined using vacuum ultraviolet and X-ray absorption spectroscopy. The light scattering by the nano-porous structure of alumina at low wavelengths was estimated based on the Mie scattering theory. The dependence of the optical band gap of the Al-Zr mixed oxides on the Zr content deviates from linearity and decreases from 7.3 eV for pure anodized Al{sub 2}O{sub 3} to 6.45 eV for Al-Zr mixed oxides with a Zr content of 21.9%. With increasing Zr content, the conduction band minimum changes non-linearlymore » as well. Fitting of the energy band gap values resulted in a bowing parameter of ∼2 eV. The band gap bowing of the mixed oxides is assigned to the presence of the Zr d-electron states localized below the conduction band minimum of anodized Al{sub 2}O{sub 3}.« less
Identification of New Hot Bands in the Blue and Green Band Systems of FeH
NASA Astrophysics Data System (ADS)
Wilson, Catherine; Brown, John M.
1999-10-01
A particularly rich region of the electronic spectrum of FeH from 525 to 545 nm was investigated using the techniques of dispersed and undispersed laser-induced fluorescence. Analysis has led to the discovery that several different electronic transitions are embedded in this region; the (0, 0) and (1, 1) bands of the e6Π-a6Δ (green) system, the (0, 2) band of the g6Φ-X4Δ (intercombination) system, the (0, 1) band of the g6Φ-a6Δ (blue) system, and the (0, 0) band of the g6Φ-b6Π system. Seventy-five lines were assigned in the (0, 1) band of the g6Φ-a6Δ transition. These, with the assignment of an additional 14 lines in the 583 nm region to the (0, 1) band of the e6Π-a6Δ transition, led to the extension of the known term values to higher J values for the Ω = 9/2, 7/2, and 5/2 spin components of the v = 1 level of the a6Δ state and the novel characterization of the a6Δ3/2 (v = 1) and g6Φ5/2 (v = 0) components. A further 73 lines were assigned to the first four subbands of the (1, 1) band of the e6Π-a6Δ transition and term values for the lowest four spin components of the v = 1 level of the e6Π state were determined. This provides the first experimental measurement of a vibrational interval in one of the higher lying electronic states of FeH. The interval does not appear to vary strongly between the spin components (ΔG1/2 = 1717, 1713, 1710 cm-1 for Ω = 7/2, 5/2, 3/2, respectively). Remarkably few of the hot-band transitions assigned in this work could be identified in the complex, high-temperature spectrum of FeH recorded by P. McCormack and S. O'Connor [Astron. Astrophys. Suppl. 26, 373-380 (1976)].
NASA Astrophysics Data System (ADS)
Karaaslan, Muharrem; Bağmancı, Mehmet; Ünal, Emin; Akgol, Oguzhan; Sabah, Cumali
2017-06-01
We propose the design of a multiband absorber based on multi-layered square split ring (MSSR) structure. The multi-layered metamaterial structure is designed to be used in the frequency bands such as WIMAX, WLAN and satellite communication region. The absorption levels of the proposed structure are higher than 90% for all resonance frequencies. In addition, the incident angle and polarization dependence of the multi-layered metamaterial absorber and harvester is also investigated and it is observed that the structure has polarization angle independent frequency response with good absorption characteristics in the entire working frequency band. The energy harvesting ratios of the structure is investigated especially for the resonance frequencies at which the maximum absorption occurs. The energy harvesting potential of the proposed MSSRs is as good as those of the structures given in the literature. Therefore, the suggested design having good absorption, polarization and angle independent characteristics with a wide bandwidth is a potential candidate for future energy harvesting applications in commonly used wireless communication bands, namely WIMAX, WLAN and satellite communication bands.
Band Structure Characteristics of Nacreous Composite Materials with Various Defects
NASA Astrophysics Data System (ADS)
Yin, J.; Zhang, S.; Zhang, H. W.; Chen, B. S.
2016-06-01
Nacreous composite materials have excellent mechanical properties, such as high strength, high toughness, and wide phononic band gap. In order to research band structure characteristics of nacreous composite materials with various defects, supercell models with the Brick-and-Mortar microstructure are considered. An efficient multi-level substructure algorithm is employed to discuss the band structure. Furthermore, two common systems with point and line defects and varied material parameters are discussed. In addition, band structures concerning straight and deflected crack defects are calculated by changing the shear modulus of the mortar. Finally, the sensitivity of band structures to the random material distribution is presented by considering different volume ratios of the brick. The results reveal that the first band gap of a nacreous composite material is insensitive to defects under certain conditions. It will be of great value to the design and synthesis of new nacreous composite materials for better dynamic properties.
Topological nonsymmorphic metals from band inversion
Muechler, Lukas; Alexandradinata, A.; Neupert, Titus; ...
2016-12-29
Here, we expand the phase diagram of two-dimensional, nonsymmorphic crystals at integer fillings that do not guarantee gaplessness. In addition to the trivial, gapped phase that is expected, we find that band inversion leads to a class of topological, gapless phases. These topological phases are exemplified by the monolayers of MTe 2 (M ¼ W; Mo) if spin-orbit coupling is neglected. We characterize the Dirac band touching of these topological metals by theWilson loop of the non-Abelian Berry gauge field. Furthermore, we develop a criterion for the proximity of these topological metals to 2D and 3D Z 2 topological insulatorsmore » when spinorbit coupling is included; our criterion is based on nonsymmorphic symmetry eigenvalues, and may be used to identify topological materials without inversion symmetry. An additional feature of the Dirac cone in monolayer MTe 2 is that it tilts over in a Lifshitz transition to produce electron and hole pockets—a type-II Dirac cone. These pockets, together with the pseudospin structure of the Dirac electrons, suggest a unified, topological explanation for the recently reported, nonsaturating magnetoresistance in WTe 2, as well as its circular dichroism in photoemission. We complement our analysis and first-principles band structure calculations with an ab-initio-derived tight-binding model for the WTe 2 monolayer.« less
Discrete impurity band from surface danging bonds in nitrogen and phosphorus doped SiC nanowires
NASA Astrophysics Data System (ADS)
Li, Yan-Jing; Li, Shu-Long; Gong, Pei; Li, Ya-Lin; Cao, Mao-Sheng; Fang, Xiao-Yong
2018-04-01
The electronic structure and optical properties of the nitrogen and phosphorus doped silicon carbide nanowires (SiCNWs) are investigated using first-principle calculations based on density functional theory. The results show doping can change the type of the band gap and improve the conductivity. However, the doped SiCNWs form a discrete impurity levels at the Fermi energy, and the dispersion degree decreases with the diameter increasing. In order to reveal the root of this phenomenon, we hydrogenated the doped SiCNWs, found that the surface dangling bonds were saturated, and the discrete impurity levels are degeneracy, which indicates that the discrete impurity band of the doped SiCNWs is derived from the dangling bonds. The surface passivation can degenerate the impurity levels. Therefore, both doping and surface passivation can better improve the photoelectric properties of the SiCNWs. The result can provide additional candidates in producing nano-optoelectronic devices.
47 CFR 15.243 - Operation in the band 890-940 MHz.
Code of Federal Regulations, 2010 CFR
2010-10-01
... 47 Telecommunication 1 2010-10-01 2010-10-01 false Operation in the band 890-940 MHz. 15.243 Section 15.243 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL RADIO FREQUENCY DEVICES Intentional Radiators Radiated Emission Limits, Additional Provisions § 15.243 Operation in the band 890-940...
47 CFR 15.241 - Operation in the band 174-216 MHz.
Code of Federal Regulations, 2010 CFR
2010-10-01
... 47 Telecommunication 1 2010-10-01 2010-10-01 false Operation in the band 174-216 MHz. 15.241 Section 15.241 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL RADIO FREQUENCY DEVICES Intentional Radiators Radiated Emission Limits, Additional Provisions § 15.241 Operation in the band 174-216...
DOE Office of Scientific and Technical Information (OSTI.GOV)
Dolgonos, Alex; Mason, Thomas O.; Poeppelmeier, Kenneth R., E-mail: krp@northwestern.edu
2016-08-15
The direct optical band gap of semiconductors is traditionally measured by extrapolating the linear region of the square of the absorption curve to the x-axis, and a variation of this method, developed by Tauc, has also been widely used. The application of the Tauc method to crystalline materials is rooted in misconception–and traditional linear extrapolation methods are inappropriate for use on degenerate semiconductors, where the occupation of conduction band energy states cannot be ignored. A new method is proposed for extracting a direct optical band gap from absorption spectra of degenerately-doped bulk semiconductors. This method was applied to pseudo-absorption spectramore » of Sn-doped In{sub 2}O{sub 3} (ITO)—converted from diffuse-reflectance measurements on bulk specimens. The results of this analysis were corroborated by room-temperature photoluminescence excitation measurements, which yielded values of optical band gap and Burstein–Moss shift that are consistent with previous studies on In{sub 2}O{sub 3} single crystals and thin films. - Highlights: • The Tauc method of band gap measurement is re-evaluated for crystalline materials. • Graphical method proposed for extracting optical band gaps from absorption spectra. • The proposed method incorporates an energy broadening term for energy transitions. • Values for ITO were self-consistent between two different measurement methods.« less
Ferromagnetism in the Hubbard Model with a Gapless Nearly-Flat Band
NASA Astrophysics Data System (ADS)
Tanaka, Akinori
2018-01-01
We present a version of the Hubbard model with a gapless nearly-flat lowest band which exhibits ferromagnetism in two or more dimensions. The model is defined on a lattice obtained by placing a site on each edge of the hypercubic lattice, and electron hopping is assumed to be only between nearest and next nearest neighbor sites. The lattice, where all the sites are identical, is simple, and the corresponding single-electron band structure, where two cosine-type bands touch without an energy gap, is also simple. We prove that the ground state of the model is unique and ferromagnetic at half-filling of the lower band, if the lower band is nearly flat and the strength of on-site repulsion is larger than a certain value which is independent of the lattice size. This is the first example of ferromagnetism in three dimensional non-singular models with a gapless band structure.
Clock is not a component of Z-bands.
Wang, Jushuo; Dube, Dipak K; White, Jennifer; Fan, Yingli; Sanger, Jean M; Sanger, Joseph W
2012-12-01
The process of Z-band assembly begins with the formation of small Z-bodies composed of a complex of proteins rich in alpha-actinin. As additional proteins are added to nascent myofibrils, Z-bodies are transformed into continuous bands that form coherent discs of interacting proteins at the boundaries of sarcomeres. The steps controlling the transition of Z-bodies to Z-bands are not known. The report that a circadian protein, Clock, was localized in the Z-bands of neonatal rat cardiomyocytes raised the question whether this transcription factor could be involved in Z-band assembly. We found that the anti-Clock antibody used in the reported study also stained the Z-bands and Z-bodies of mouse and avian cardiac and skeletal muscle cells. YFP constructs of Clock that were assembled, however, did not localize to the Z-bands of muscle cells. Controls of Clock's activity showed that cotransfection of muscle cells with pYFP-Clock and pCeFP-BMAL1 led to the expected nuclear localization of YFP-Clock with its binding partner CeFP-BMAL1. Neither CeFP-BMAL1 nor antibodies directed against BMAL1 localized to Z-bands. A bimolecular fluorescence complementation assay (VC-BMAL1 and VN-Clock) confirmed the absence of Clock and BMAL1 from Z-bands, and their nuclear colocalization. A second anti-Clock antibody stained nuclei, but not Z-bands, of cells cotransfected with Clock and BMAL1 plasmids. Western blots of reactions of muscle extracts and purified alpha-actinins with the two anti-Clock antibodies showed that the original antibody cross-reacted with alpha-actinin and the second did not. These results cannot confirm Clock as an active component of Z-bands. © 2012 Wiley Periodicals, Inc. Copyright © 2012 Wiley Periodicals, Inc.
NASA Astrophysics Data System (ADS)
Kohlscheen, J.; Emirov, Y. N.; Beerbom, M. M.; Wolan, J. T.; Saddow, S. E.; Chung, G.; MacMillan, M. F.; Schlaf, R.
2003-09-01
The band lineup of p- and n-type 4H-SiC/Al interfaces was determined using x-ray photoemission spectroscopy (XPS). Al was deposited in situ on ex situ cleaned SiC substrates in several steps starting at 1.2 Å up to 238 Å nominal film thickness. Before growth and after each growth step, the sample surface was characterized in situ by XPS. The analysis of the spectral shifts indicated that during the initial deposition stages the Al films react with the ambient surface contamination layer present on the samples after insertion into vacuum. At higher coverage metallic Al clusters are formed. The band lineups were determined from the analysis of the core level peak shifts and the positions of the valence bands maxima (VBM) depending on the Al overlayer thickness. Shifts of the Si 2p and C 1s XPS core levels occurred to higher (lower) binding energy for the p-(n-)type substrates, which was attributed to the occurrence of band bending due to Fermi-level equilibration at the interface. The hole injection barrier at the p-type interface was determined to be 1.83±0.1 eV, while the n-type interface revealed an electron injection barrier of 0.98±0.1 eV. Due to the weak features in the SiC valence bands measured by XPS, the VBM positions were determined using the Si 2p peak positions. This procedure required the determination of the Si 2p-to-VBM binding energy difference (99.34 eV), which was obtained from additional measurements.
O2 A Band Studies for Cloud Detection and Algorithm Improvement
NASA Technical Reports Server (NTRS)
Chance, K. V.
1996-01-01
Detection of cloud parameters from space-based spectrometers can employ the vibrational bands of O2 in the (sup b1)Sigma(sub +)(sub g) yields X(sub 3) Sigma(sup -)(sub g) spin-forbidden electronic transition manifold, particularly the Delta nu = 0 A band. The GOME instrument uses the A band in the Initial Cloud Fitting Algorithm (ICFA). The work reported here consists of making substantial improvements in the line-by-line spectral database for the A band, testing whether an additional correction to the line shape function is necessary in order to correctly model the atmospheric transmission in this band, and calculating prototype cloud and ground template spectra for comparison with satellite measurements.
The design and application of a multi-band IR imager
NASA Astrophysics Data System (ADS)
Li, Lijuan
2018-02-01
Multi-band IR imaging system has many applications in security, national defense, petroleum and gas industry, etc. So the relevant technologies are getting more and more attention in rent years. As we know, when used in missile warning and missile seeker systems, multi-band IR imaging technology has the advantage of high target recognition capability and low false alarm rate if suitable spectral bands are selected. Compared with traditional single band IR imager, multi-band IR imager can make use of spectral features in addition to space and time domain features to discriminate target from background clutters and decoys. So, one of the key work is to select the right spectral bands in which the feature difference between target and false target is evident and is well utilized. Multi-band IR imager is a useful instrument to collect multi-band IR images of target, backgrounds and decoys for spectral band selection study at low cost and with adjustable parameters and property compared with commercial imaging spectrometer. In this paper, a multi-band IR imaging system is developed which is suitable to collect 4 spectral band images of various scenes at every turn and can be expanded to other short-wave and mid-wave IR spectral bands combination by changing filter groups. The multi-band IR imaging system consists of a broad band optical system, a cryogenic InSb large array detector, a spinning filter wheel and electronic processing system. The multi-band IR imaging system's performance is tested in real data collection experiments.
NASA Astrophysics Data System (ADS)
Landmann, M.; Rauls, E.; Schmidt, W. G.
2017-04-01
The composition dependence of the natural band alignment at nonpolar AlxGa1 -xN /AlyGa1 -yN heterojunctions is investigated via hybrid functional based density functional theory. Accurate band-gap data are provided using Heyd-Scuseria-Ernzerhof (HSE) type hybrid functionals with a composition dependent exact-exchange contribution. The unstrained band alignment between zincblende (zb) AlxGa1 -xN semiconductor alloys is studied within the entire ternary composition range utilizing the Branch-point technique to align the energy levels related to the bulklike direct Γv→Γc and indirect, pseudodirect, respectively, Γv→Xc type transitions in zb-AlxGa1 -xN . While the zb-GaN/AlxGa1 -xN band edges consistently show a type-I alignment, the relative position of fundamental band edges changes to a type-II alignment in the Al-rich composition ranges of zb-AlxGa1 -xN /AlN and zb-AlxGa1 -xN /AlyGa1 -yN systems. The presence of a direct-indirect band-gap transition at xc=0.63 in zb-AlxGa1 -xN semiconductor alloys gives rise to a notably different composition dependence of band discontinuities in the direct and indirect energy-gap ranges. Below the critical direct-indirect Al/Ga-crossover concentration, the band offsets show a close to linear dependence on the alloy composition. In contrast, notable bowing characteristics of all band discontinuities are observed above the critical crossover composition.
Flat electronic bands in fractal-kagomé network and the effect of perturbation
DOE Office of Scientific and Technical Information (OSTI.GOV)
Nandy, Atanu, E-mail: atanunandy1989@gmail.com; Chakrabarti, Arunava, E-mail: arunava-chakrabarti@yahoo.co.in
2016-05-06
We demonstrate an analytical prescription of demonstrating the flat band [FB] states in a fractal incorporated kagomé type network that can give rise to a countable infinity of flat non-dispersive eigenstates with a multitude of localization area. The onset of localization can, in principle, be delayed in space by an appropriate choice of energy regime. The length scale, at which the onset of localization for each mode occurs, can be tuned at will following the formalism developed within the framework of real space renormalization group. This scheme leads to an exact determination of energy eigenvalue for which one can havemore » dispersionless flat electronic bands. Furthermore, we have shown the effect ofuniform magnetic field for the same non-translationally invariant network model that has ultimately led to an‘apparent invisibility’ of such staggered localized states and to generate absolutely continuous sub-bands in the energy spectrum and again an interesting re-entrant behavior of those FB states.« less
Hadmojo, Wisnu Tantyo; Wibowo, Febrian Tri Adhi; Ryu, Du Yeol; Jung, In Hwan; Jang, Sung-Yeon
2017-09-27
Although the combination of wide band gap polymer donors and narrow band gap small-molecule acceptors achieved state-of-the-art performance as bulk heterojunction (BHJ) active layers for organic solar cells, there have been only several of the wide band gap polymers that actually realized high-efficiency devices over >10%. Herein, we developed high-efficiency, low-energy-loss fullerene-free organic solar cells using a weakly crystalline wide band gap polymer donor, PBDTTPD-HT, and a nonfullerene small-molecule acceptor, ITIC. The excessive intermolecular stacking of ITIC is efficiently suppressed by the miscibility with PBDTTPD-HT, which led to a well-balanced nanomorphology in the PBDTTPD-HT/ITIC BHJ active films. The favorable optical, electronic, and energetic properties of PBDTTPD-HT with respect to ITIC achieved panchromatic photon-to-current conversion with a remarkably low energy loss (0.59 eV).
Assessment of the influence of energy under-reporting on intake estimates of four food additives.
Gilsenan, M B; Gibney, M J
2004-03-01
Under-reporting has been identified as an important source of uncertainty in food chemical exposure assessments. The objective of the present study was to assess the influence of under-reporting on food additive intake estimates. Dietary survey data were derived from the North-South Ireland Food Consumption Survey (2001). Data from the Republic of Ireland (n = 958) were used. Energy under-reporters were identified using a ratio of energy intakes to estimated basal metabolic rate. First, food categories (n = 26) included in an assessment of exposure of four food additives were created and patterns of food intakes (i.e. likelihood of consumption, frequency of consumption and reported portion size) between acceptable and under-reporters compared. Second, for each food additive, deterministic intake estimates for the total sample (i.e. acceptable and under-reporters), under-reporters and acceptable reporters were calculated and compared. Differential reporting of the majority of food categories between acceptable and under-reporters was recorded. Under-reporters were less likely to record the consumption of a given food and more likely to under-report the frequency of consumption and portion size compared with acceptable reporters. Food additive intake estimates amongst acceptable reporters were higher than corresponding intake estimates amongst the total sample of reporters and amongst under-reporters. With the exception of one food additive (erythrosine), ratios of upper percentile additive intakes amongst acceptable reporters to corresponding intake estimates amongst the total sample of reporters did not exceed 1.06 when results were expressed as total population or consumer-only intakes. Findings illustrated that energy under-reporting does not materially influence estimates of food additive exposure based on the four food additives studied. However, a number of situations were identified where the under-reporting might exert a more significant impact on resulting
Theory of Band Warping and its Effects on Thermoelectronic Transport Properties
NASA Astrophysics Data System (ADS)
Mecholsky, Nicholas; Resca, Lorenzo; Pegg, Ian; Fornari, Marco
2015-03-01
Transport properties of materials depend upon features of band structures near extrema in the BZ. Such features are generally described in terms of quadratic expansions and effective masses. Such expansions, however, are permissible only under strict conditions that are sometimes violated by materials. Suggestive terms such as ``band warping'' have been used to refer to such situations and ad hoc methods have been developed to treat them. We develop a generally applicable theory, based on radial expansions, and a corresponding definition of angular effective mass which also accounts for effects of band non-parabolicity and anisotropy. Further, we develop precise procedures to evaluate band warping quantitatively and as an example we analyze the warping features of valence bands in silicon using first-principles calculations and we compare those with semi-empirical models. We use our theory to generalize derivations of transport coefficients for cases of either single or multiple electronic bands, with either quadratically expansible or warped energy surfaces. We introduce the transport-equivalent ellipsoid and illustrate the drastic effects that band warping can induce on thermoelectric properties using multi-band models. Vitreous State Laboratory and Samsung's GRO program.
Comparison of C-band and Ku-band scatterometry for medium-resolution tropical forest inventory
NASA Astrophysics Data System (ADS)
Hardin, Perry J.; Long, David G.
1993-08-01
Since 1978, AVHRR imagery from NOAA polar orbiters has provided coverage of tropical regions at this desirable resolution, but much of the imagery is plagued with heavy cloud cover typical of equatorial regions. Clearly a medium resolution radar sensor would be a useful addition to AVHRR, but none are planned to fly in the future. In contrast, scatterometers are an important radar component of many future earth remote sensing systems, but the inherent resolution of these instruments is too low (approximately equals 50 km) for monitoring earth's land surfaces. However, a recently developed image reconstruction technique can increase the spatial resolution of scatterometer data to levels (approximately equals 4 to 14 km) approaching AVHRR global area coverage (approximately equals 4 km). When reconstructed, scatterometer data may prove to be an important asset in evaluating equatorial land cover. In this paper, the authors compare the utility of reconstructed Seasat scatterometer (SASS), Ku-band microwave data to reconstructed ERS-1 C-band scatterometer imagery for discrimination and monitoring of tropical vegetation formations. In comparative classification experiments conducted on reconstructed images of Brasil, the ERS-1 C-band imagery was slightly superior to its reconstructed SASS Ku-band counterpart for discriminating between several equatorial land cover classes. A classification accuracy approaching .90 was achieved when the two scatterometer images were combined with an AVHRR normalized difference vegetation index (NDVI) image. The success of these experiments indicates that further research into reconstructed image applications to tropical forest monitoring is warranted.
Madelung and Hubbard interactions in polaron band model of doped organic semiconductors
Png, Rui-Qi; Ang, Mervin C.Y.; Teo, Meng-How; Choo, Kim-Kian; Tang, Cindy Guanyu; Belaineh, Dagmawi; Chua, Lay-Lay; Ho, Peter K.H.
2016-01-01
The standard polaron band model of doped organic semiconductors predicts that density-of-states shift into the π–π* gap to give a partially filled polaron band that pins the Fermi level. This picture neglects both Madelung and Hubbard interactions. Here we show using ultrahigh workfunction hole-doped model triarylamine–fluorene copolymers that Hubbard interaction strongly splits the singly-occupied molecular orbital from its empty counterpart, while Madelung (Coulomb) interactions with counter-anions and other carriers markedly shift energies of the frontier orbitals. These interactions lower the singly-occupied molecular orbital band below the valence band edge and give rise to an empty low-lying counterpart band. The Fermi level, and hence workfunction, is determined by conjunction of the bottom edge of this empty band and the top edge of the valence band. Calculations are consistent with the observed Fermi-level downshift with counter-anion size and the observed dependence of workfunction on doping level in the strongly doped regime. PMID:27582355
Narrow Band Gap Lead Sulfide Hole Transport Layers for Quantum Dot Photovoltaics.
Zhang, Nanlin; Neo, Darren C J; Tazawa, Yujiro; Li, Xiuting; Assender, Hazel E; Compton, Richard G; Watt, Andrew A R
2016-08-24
The band structure of colloidal quantum dot (CQD) bilayer heterojunction solar cells is optimized using a combination of ligand modification and QD band gap control. Solar cells with power conversion efficiencies of up to 9.33 ± 0.50% are demonstrated by aligning the absorber and hole transport layers (HTL). Key to achieving high efficiencies is optimizing the relative position of both the valence band and Fermi energy at the CQD bilayer interface. By comparing different band gap CQDs with different ligands, we find that a smaller band gap CQD HTL in combination with a more p-type-inducing CQD ligand is found to enhance hole extraction and hence device performance. We postulate that the efficiency improvements observed are largely due to the synergistic effects of narrower band gap QDs, causing an upshift of valence band position due to 1,2-ethanedithiol (EDT) ligands and a lowering of the Fermi level due to oxidation.
Reward banding to determine reporting rate of recovered mourning dove bands
Tomlinson, R.E.
1968-01-01
Reward bands placed on the other leg of certain regularly banded immature mourning doves (Zenaidura macroura) were used to develop information on reporting rates of recovered dove bands. Reports from 15 widely separated sections of the United States showed considerable variation in recovery rate of doves both with and without reward bands. The overall percentages of banded doves that were reported as recovered were 9.69% for those with reward bands and 3.83% for controls. The bandreporting rate for states influenced by publicity was 66%; that for states not influenced was 32%.
Statistical study of auroral omega bands
NASA Astrophysics Data System (ADS)
Partamies, Noora; Weygand, James M.; Juusola, Liisa
2017-09-01
The presence of very few statistical studies on auroral omega bands motivated us to test-use a semi-automatic method for identifying large-scale undulations of the diffuse aurora boundary and to investigate their occurrence. Five identical all-sky cameras with overlapping fields of view provided data for 438 auroral omega-like structures over Fennoscandian Lapland from 1996 to 2007. The results from this set of omega band events agree remarkably well with previous observations of omega band occurrence in magnetic local time (MLT), lifetime, location between the region 1 and 2 field-aligned currents, as well as current density estimates. The average peak emission height of omega forms corresponds to the estimated precipitation energies of a few keV, which experienced no significant change during the events. Analysis of both local and global magnetic indices demonstrates that omega bands are observed during substorm expansion and recovery phases that are more intense than average substorm expansion and recovery phases in the same region. The omega occurrence with respect to the substorm expansion and recovery phases is in a very good agreement with an earlier observed distribution of fast earthward flows in the plasma sheet during expansion and recovery phases. These findings support the theory that omegas are produced by fast earthward flows and auroral streamers, despite the rarity of good conjugate observations.
NASA Astrophysics Data System (ADS)
Feneberg, Martin; Osterburg, Sarah; Lange, Karsten; Lidig, Christian; Garke, Bernd; Goldhahn, Rüdiger; Richter, Eberhard; Netzel, Carsten; Neumann, Maciej D.; Esser, Norbert; Fritze, Stephanie; Witte, Hartmut; Bläsing, Jürgen; Dadgar, Armin; Krost, Alois
2014-08-01
The interplay between band gap renormalization and band filling (Burstein-Moss effect) in n-type wurtzite GaN is investigated. For a wide range of electron concentrations up to 1.6×1020cm-3 spectroscopic ellipsometry and photoluminescence were used to determine the dependence of the band gap energy and the Fermi edge on electron density. The band gap renormalization is the dominating effect up to an electron density of about 9×1018cm-3; at higher values the Burstein-Moss effect is stronger. Exciton screening, the Mott transition, and formation of Mahan excitons are discussed. A quantitative understanding of the near gap transition energies on electron density is obtained. Higher energy features in the dielectric functions up to 10eV are not influenced by band gap renormalization.
Electrically detected magnetic resonance in a W-band microwave cavity
NASA Astrophysics Data System (ADS)
Lang, V.; Lo, C. C.; George, R. E.; Lyon, S. A.; Bokor, J.; Schenkel, T.; Ardavan, A.; Morton, J. J. L.
2011-03-01
We describe a low-temperature sample probe for the electrical detection of magnetic resonance in a resonant W-band (94 GHz) microwave cavity. The advantages of this approach are demonstrated by experiments on silicon field-effect transistors. A comparison with conventional low-frequency measurements at X-band (9.7 GHz) on the same devices reveals an up to 100-fold enhancement of the signal intensity. In addition, resonance lines that are unresolved at X-band are clearly separated in the W-band measurements. Electrically detected magnetic resonance at high magnetic fields and high microwave frequencies is therefore a very sensitive technique for studying electron spins with an enhanced spectral resolution and sensitivity.
Satellite Communications for Unmanned Aircraft C2 Links: C-Band, Ku-Band and Ka-Band
NASA Technical Reports Server (NTRS)
Kerczewski, Robert J.; Wilson, Jeffrey D.; Bishop, William D.
2016-01-01
Unmanned aircraft (UA) that require access to controlled (or non-segregated) airspace require a highly reliable and robust command and control (C2) link, operating over protected aviation spectrum. While operating within radio line-of-sight (LOS) UA can make use of air-to-ground C2 links to terrestrial stations. When operating beyond LOS (BLOS) where a group of networked terrestrial stations does not exist to provide effective BLOS coverage, a satellite communications link is required. Protected aviation spectrum for satellite C2 links has only recently been allocated in bands where operational satellites exist. A previously existing C-Band allocation covers a bands where there are currently no operational satellites. The new allocations, within the Fixed Satellite Service bands at Ku and Ka-Bands will not be finalized until 2023 due to the need for the development of standards and technical decisions on the operation of UA satellite C2 links within these bands. This paper provides an overview of BLOS satellite C2 links, some of the conditions which will need to be met for the operation of such links, and a look at some aspects of spectrum sharing which may constrain these operations.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Maté, Belén; Molpeceres, Germán; Jiménez-Redondo, Miguel
2016-11-01
The effects of cosmic rays on the carriers of the interstellar 3.4 μ m absorption band have been investigated in the laboratory. This band is attributed to stretching vibrations of CH{sub 3} and CH{sub 2} in carbonaceous dust. It is widely observed in the diffuse interstellar medium, but disappears in dense clouds. Destruction of CH{sub 3} and CH{sub 2} by cosmic rays could become relevant in dense clouds, shielded from the external ultraviolet field. For the simulations, samples of hydrogenated amorphous carbon (a-C:H) have been irradiated with 5 keV electrons. The decay of the band intensity versus electron fluence reflectsmore » a-C:H dehydrogenation, which is well described by a model assuming that H{sub 2} molecules, formed by the recombination of H atoms liberated through CH bond breaking, diffuse out of the sample. The CH bond destruction rates derived from the present experiments are in good accordance with those from previous ion irradiation experiments of HAC. The experimental simplicity of electron bombardment has allowed the use of higher-energy doses than in the ion experiments. The effects of cosmic rays on the aliphatic components of cosmic dust are found to be small. The estimated cosmic-ray destruction times for the 3.4 μ m band carriers lie in the 10{sup 8} yr range and cannot account for the disappearance of this band in dense clouds, which have characteristic lifetimes of 3 × 10{sup 7} yr. The results invite a more detailed investigation of the mechanisms of CH bond formation and breaking in the intermediate region between diffuse and dense clouds.« less
Secular trends in Cherokee cranial morphology: Eastern vs Western bands.
Sutphin, Rebecca; Ross, Ann H; Jantz, Richard L
2014-01-01
The research objective was to examine if secular trends can be identified for cranial data commissioned by Boas in 1892, specifically for cranial breadth and cranial length of the Eastern and Western band Cherokee who experienced environmental hardships. Multiple regression analysis was used to test the degree of relationship between each of the cranial measures: cranial length, cranial breadth and cephalic index, along with predictor variables (year-of-birth, location, sex, admixture); the model revealed a significant difference for all craniometric variables. Additional regression analysis was performed with smoothing Loess plots to observe cranial length and cranial breadth change over time (year-of-birth) separately for Eastern and Western Cherokee band females and males born between 1783-1874. This revealed the Western and Eastern bands show a decrease in cranial length over time. Eastern band individuals maintain a relatively constant head breadth, while Western Band individuals show a sharp decline beginning around 1860. These findings support negative secular trend occurring for both Cherokee bands where the environment made a detrimental impact; this is especially marked with the Western Cherokee band.
Pals, Carina; Sarampalis, Anastasios; van Dijk, Mart; Başkent, Deniz
2018-05-11
Residual acoustic hearing in electric-acoustic stimulation (EAS) can benefit cochlear implant (CI) users in increased sound quality, speech intelligibility, and improved tolerance to noise. The goal of this study was to investigate whether the low-pass-filtered acoustic speech in simulated EAS can provide the additional benefit of reducing listening effort for the spectrotemporally degraded signal of noise-band-vocoded speech. Listening effort was investigated using a dual-task paradigm as a behavioral measure, and the NASA Task Load indeX as a subjective self-report measure. The primary task of the dual-task paradigm was identification of sentences presented in three experiments at three fixed intelligibility levels: at near-ceiling, 50%, and 79% intelligibility, achieved by manipulating the presence and level of speech-shaped noise in the background. Listening effort for the primary intelligibility task was reflected in the performance on the secondary, visual response time task. Experimental speech processing conditions included monaural or binaural vocoder, with added low-pass-filtered speech (to simulate EAS) or without (to simulate CI). In Experiment 1, in quiet with intelligibility near-ceiling, additional low-pass-filtered speech reduced listening effort compared with binaural vocoder, in line with our expectations, although not compared with monaural vocoder. In Experiments 2 and 3, for speech in noise, added low-pass-filtered speech allowed the desired intelligibility levels to be reached at less favorable speech-to-noise ratios, as expected. It is interesting that this came without the cost of increased listening effort usually associated with poor speech-to-noise ratios; at 50% intelligibility, even a reduction in listening effort on top of the increased tolerance to noise was observed. The NASA Task Load indeX did not capture these differences. The dual-task results provide partial evidence for a potential decrease in listening effort as a result of
Alpha-band rhythm suppression during memory recall reflecting memory performance.
Yokosawa, Koichi; Kimura, Keisuke; Chitose, Ryota; Momiki, Takuya; Kuriki, Shinya
2016-08-01
Alpha-band rhythm is thought to be involved in memory processes, similarly to other spontaneous brain rhythms. Ten right-handed healthy volunteers participated in our proposed sequential short-term memory task that provides a serial position effect in accuracy rate. We recorded alpha-band rhythms by magnetoencephalography during performance of the task and observed that the amplitude of the rhythm was suppressed dramatically in the memory recall period. The suppressed region was estimated to be in the occipital lobe, suggesting that alpha-band rhythm is suppressed by activation of the occipital attentional network. Additionally, the alpha-band suppression reflected accuracy rate, that is, the amplitude was suppressed more when recalling items with higher accuracy rate. The sensors with a significant correlation between alpha-band amplitude and accuracy rate were located widely from the frontal to occipital regions mainly in the right hemisphere. The results suggests that alpha-band rhythm is involved in memory recall and can be index of memory performance.
An enhanced narrow-band imaging method for the microvessel detection
NASA Astrophysics Data System (ADS)
Yu, Feng; Song, Enmin; Liu, Hong; Wan, Youming; Zhu, Jun; Hung, Chih-Cheng
2018-02-01
A medical endoscope system combined with the narrow-band imaging (NBI), has been shown to be a superior diagnostic tool for early cancer detection. The NBI can reveal the morphologic changes of microvessels in the superficial cancer. In order to improve the conspicuousness of microvessel texture, we propose an enhanced NBI method to improve the conspicuousness of endoscopic images. To obtain the more conspicuous narrow-band images, we use the edge operator to extract the edge information of the narrow-band blue and green images, and give a weight to the extracted edges. Then, the weighted edges are fused with the narrow-band blue and green images. Finally, the displayed endoscopic images are reconstructed with the enhanced narrow-band images. In addition, we evaluate the performance of enhanced narrow-band images with different edge operators. Experimental results indicate that the Sobel and Canny operators achieve the best performance of all. Compared with traditional NBI method of Olympus company, our proposed method has more conspicuous texture of microvessel.
Additively Manufactured, Net Shape Powder Metallurgy Cans for Valves Used in Energy Production
DOE Office of Scientific and Technical Information (OSTI.GOV)
Peter, William H.; Gandy, David; Lannom, Robert
This CRADA NFE-14-05241 was conducted as a Technical Collaboration project within the Oak Ridge National Laboratory (ORNL) Manufacturing Demonstration Facility (MDF) sponsored by the US Department of Energy Advanced Manufacturing Office (CPS Agreement Number 24761). Opportunities for MDF technical collaborations are listed in the announcement “Manufacturing Demonstration Facility Technology Collaborations for US Manufacturers in Advanced Manufacturing and Materials Technologies” posted at http://web.ornl.gov/sci/manufacturing/docs/FBO-ORNL-MDF-2013-2.pdf. The goal of technical collaborations is to engage industry partners to participate in short-term, collaborative projects within the Manufacturing Demonstration Facility (MDF) to assess applicability and of new energy efficient manufacturing technologies. Research sponsored by the U.S. Departmentmore » of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office, under contract DE-AC05-00OR22725 with UT-Battelle, LLC.ORNL would like to acknowledge the leadership of EPRI in pulling together the extensive team and managing the execution of the project. In addition, ORNL would like to acknowledge the other contributions of the team members associated with this project. Quintus provided time, access, expertise, and labor of their hydro forming capabilities to evaluate both conventional and additively manufactured tools through this process. Crane ChemPharma Energy provided guidance and information on valve geometries. Carpenter Powder Products was involved with the team providing information on powder processing as it pertains to the canning and hot isostatic pressing of powder. on providing powder and knowledge as it pertains to powder supply for hot isostatic pressing; they also provided powder for the test trials by the industrial team. Bodycote provided guidance on hot isostatic pressing and can requirements. They were also responsible for the hot isostatic pressing of the test
Electron band structure of the high pressure cubic phase of AlH3
NASA Astrophysics Data System (ADS)
Shi, Hongliang; Zarifi, Niliffar; Yim, Wai-Leung; Tse, J. S.
2012-07-01
The electronic band structure of the cubic Pm3n phase of AlH3 stable above 100 GPa is examined with semi-local, Tran-Blaha modified Becke-Johnson local density approximation (TB-mBJLDA), screened hybrid density functionals and GW methods. The shift of the conduction band to higher energy with increasing pressure is predicted by all methods. However, there are significant differences in detail band structure. In the pressure range from 90 to160 GPa, semi-local, hybrid functional and TB-mBJLDA calculations predicted that AlH3 is a poor metal. In comparison, GW calculations show a gap opening at 160 GPa and AlH3 becomes a small gap semi-conductor. From the trends of the calculated band shifts, it can be concluded that the favourable conditions leading to the nesting of Fermi surfaces predicted by semi-local calculation have disappeared if the exchange term is included. The results highlight the importance of the correction to the exchange energy on the band structure of hydrogen dominant dense metal hydrides at high pressure hydrides and may help to rationalize the absence of superconductivity in AlH3 from experimental measurements.
Valence-band-edge shift due to doping in p + GaAs
NASA Astrophysics Data System (ADS)
Silberman, J. A.; de Lyon, T. J.; Woodall, J. M.
1991-05-01
Accurate knowledge of the shifts in valence- and conduction-band edges due to heavy doping effects is crucial in modeling GaAs device structures that utilize heavily doped layers. X-ray photoemission spectroscopy was used to deduce the shift in the valence-band-edge induced by carbon (p type) doping to a carrier density of 1×1020 cm-3 based on a determination of the bulk binding energy of the Ga and As core levels in this material. Analysis of the data indicates that the shift of the valence-band maximum into the gap and the penetration of the Fermi level into the valence bands exactly compensate at this degenerate carrier concentration, to give ΔEv =0.12±0.05 eV.
Dichroic Filter for Separating W-Band and Ka-Band
NASA Technical Reports Server (NTRS)
Epp, Larry W.; Durden, Stephen L.; Jamnejad, Vahraz; Long, Ezra M.; Sosnowski, John B.; Higuera, Raymond J.; Chen, Jacqueline C.
2012-01-01
The proposed Aerosol/Cloud/Ecosystems (ACEs) mission development would advance cloud profiling radar from that used in CloudSat by adding a 35-GHz (Ka-band) channel to the 94-GHz (W-band) channel used in CloudSat. In order to illuminate a single antenna, and use CloudSat-like quasi-optical transmission lines, a spatial diplexer is needed to add the Ka-band channel. A dichroic filter separates Ka-band from W-band by employing advances in electrical discharge machining (EDM) and mode-matching analysis techniques developed and validated for designing dichroics for the Deep Space Network (DSN), to develop a preliminary design that both met the requirements of frequency separation and mechanical strength. First, a mechanical prototype was built using an approximately 102-micron-diameter EDM process, and tolerances of the hole dimensions, wall thickness, radius, and dichroic filter thickness measured. The prototype validated the manufacturing needed to design a dichroic filter for a higher-frequency usage than previously used in the DSN. The initial design was based on a Ka-band design, but thicker walls are required for mechanical rigidity than one obtains by simply scaling the Ka-band dichroic filter. The resulting trade of hole dimensions for mechanical rigidity (wall thickness) required electrical redesign of the hole dimensions. Updates to existing codes in the linear solver decreased the analysis time using mode-matching, enabling the electrical design to be realized quickly. This work is applicable to missions and instruments that seek to extend W-band cloud profiling measurements to other frequencies. By demonstrating a dichroic filter that passes W-band, but reflects a lower frequency, this opens up the development of instruments that both compare to and enhance CloudSat.
The dependence of graphene Raman D-band on carrier density.
Liu, Junku; Li, Qunqing; Zou, Yuan; Qian, Qingkai; Jin, Yuanhao; Li, Guanhong; Jiang, Kaili; Fan, Shoushan
2013-01-01
Raman spectroscopy has been an integral part of graphene research and can provide information about graphene structure, electronic characteristics, and electron-phonon interactions. In this study, the characteristics of the graphene Raman D-band, which vary with carrier density, are studied in detail, including the frequency, full width half-maximum, and intensity. We find the Raman D-band frequency increases for hole doping and decreases for electron doping. The Raman D-band intensity increases when the Fermi level approaches half of the excitation energy and is higher in the case of electron doping than that of hole doping. These variations can be explained by electron-phonon interaction theory and quantum interference between different Raman pathways in graphene. The intensity ratio of Raman D- and G-band, which is important for defects characterization in graphene, shows a strong dependence on carrier density.
Yang, Daoguo; Zhang, Guoqi; Chen, Liangbiao; Liu, Dongjing; Cai, Miao; Fan, Xuejun
2018-01-01
The effects of graphene stacking are investigated by comparing the results of methane adsorption energy, electronic performance, and the doping feasibility of five dopants (i.e., B, N, Al, Si, and P) via first-principles theory. Both zigzag and armchair graphenes are considered. It is found that the zigzag graphene with Bernal stacking has the largest adsorption energy on methane, while the armchair graphene with Order stacking is opposite. In addition, both the Order and Bernal stacked graphenes possess a positive linear relationship between adsorption energy and layer number. Furthermore, they always have larger adsorption energy in zigzag graphene. For electronic properties, the results show that the stacking effects on band gap are significant, but it does not cause big changes to band structure and density of states. In the comparison of distance, the average interlamellar spacing of the Order stacked graphene is the largest. Moreover, the adsorption effect is the result of the interactions between graphene and methane combined with the change of graphene’s structure. Lastly, the armchair graphene with Order stacking possesses the lowest formation energy in these five dopants. It could be the best choice for doping to improve the methane adsorption. PMID:29389860
Yang, Ning; Yang, Daoguo; Zhang, Guoqi; Chen, Liangbiao; Liu, Dongjing; Cai, Miao; Fan, Xuejun
2018-02-01
The effects of graphene stacking are investigated by comparing the results of methane adsorption energy, electronic performance, and the doping feasibility of five dopants (i.e., B, N, Al, Si, and P) via first-principles theory. Both zigzag and armchair graphenes are considered. It is found that the zigzag graphene with Bernal stacking has the largest adsorption energy on methane, while the armchair graphene with Order stacking is opposite. In addition, both the Order and Bernal stacked graphenes possess a positive linear relationship between adsorption energy and layer number. Furthermore, they always have larger adsorption energy in zigzag graphene. For electronic properties, the results show that the stacking effects on band gap are significant, but it does not cause big changes to band structure and density of states. In the comparison of distance, the average interlamellar spacing of the Order stacked graphene is the largest. Moreover, the adsorption effect is the result of the interactions between graphene and methane combined with the change of graphene's structure. Lastly, the armchair graphene with Order stacking possesses the lowest formation energy in these five dopants. It could be the best choice for doping to improve the methane adsorption.
47 CFR 15.239 - Operation in the band 88-108 MHz.
Code of Federal Regulations, 2010 CFR
2010-10-01
... Intentional Radiators Radiated Emission Limits, Additional Provisions § 15.239 Operation in the band 88-108 MHz. (a) Emissions from the intentional radiator shall be confined within a band 200 kHz wide centered... the general radiated emission limits in § 15.209. (d) A custom built telemetry intentional radiator...
Compositional dependence of the band gap in Ga(NAsP) quantum well heterostructures
DOE Office of Scientific and Technical Information (OSTI.GOV)
Jandieri, K., E-mail: kakhaber.jandieri@physik.uni-marburg.de; Ludewig, P.; Wegele, T.
We present experimental and theoretical studies of the composition dependence of the direct band gap energy in Ga(NAsP)/GaP quantum well heterostructures grown on either (001) GaP- or Si-substrates. The theoretical description takes into account the band anti-crossing model for the conduction band as well as the modification of the valence subband structure due to the strain resulting from the pseudomorphic epitaxial growth on the respective substrate. The composition dependence of the direct band gap of Ga(NAsP) is obtained for a wide range of nitrogen and phosphorus contents relevant for laser applications on Si-substrate.
NASA Astrophysics Data System (ADS)
Ucisik, Melek N.; Dashti, Danial S.; Faver, John C.; Merz, Kenneth M.
2011-08-01
An energy expansion (binding energy decomposition into n-body interaction terms for n ≥ 2) to express the receptor-ligand binding energy for the fragmented HIV II protease-Indinavir system is described to address the role of cooperativity in ligand binding. The outcome of this energy expansion is compared to the total receptor-ligand binding energy at the Hartree-Fock, density functional theory, and semiempirical levels of theory. We find that the sum of the pairwise interaction energies approximates the total binding energy to ˜82% for HF and to >95% for both the M06-L density functional and PM6-DH2 semiempirical method. The contribution of the three-body interactions amounts to 18.7%, 3.8%, and 1.4% for HF, M06-L, and PM6-DH2, respectively. We find that the expansion can be safely truncated after n = 3. That is, the contribution of the interactions involving more than three parties to the total binding energy of Indinavir to the HIV II protease receptor is negligible. Overall, we find that the two-body terms represent a good approximation to the total binding energy of the system, which points to pairwise additivity in the present case. This basic principle of pairwise additivity is utilized in fragment-based drug design approaches and our results support its continued use. The present results can also aid in the validation of non-bonded terms contained within common force fields and in the correction of systematic errors in physics-based score functions.
D'Aguanno, Giuseppe; Centini, Marco; Scalora, Michael; Sibilia, Concita; Bertolotti, Mario; Bloemer, Mark J; Bowden, Charles M
2003-01-01
We study second-harmonic generation in finite, one-dimensional, photonic band-gap structures with large index contrast in the regime of pump depletion and global phase-matching conditions. We report a number of surprising results: above a certain input intensity, field dynamics resemble a multiwave mixing process, where backward and forward components compete for the available energy; the pump field is mostly reflected, revealing a type of optical limiting behavior; and second-harmonic generation becomes balanced in both directions, showing unusual saturation effects with increasing pump intensity. This dynamics was unexpected, and it is bound to influence the way one goes about thinking and designing nonlinear frequency conversion devices in a practical way.
Kerékgyártó, Márta; Járvás, Gábor; Novák, Levente; Guttman, András
2016-02-01
The activation energy related to the electromigration of oligosaccharides can be determined from their measured electrophoretic mobilities at different temperatures. The effects of a viscosity modifier (ethylene glycol) and a polymeric additive (linear polyacrylamide) on the electrophoretic mobility of linear sugar oligomers with α1-4 linked glucose units (maltooligosaccharides) were studied in CE using the activation energy concept. The electrophoretic separations of 8-aminopyrene-1,3,6-trisulfonate-labeled maltooligosaccharides were monitored by LIF detection in the temperature range of 20-50°C, using either 0-60% ethylene glycol (viscosity modifier) or 0-3% linear polyacrylamide (polymeric additive) containing BGEs. Activation energy curves were constructed based on the slopes of the Arrhenius plots. With the use of linear polyacrylamide additive, solute size-dependent activation energy variations were found for the maltooligosaccharides with polymerization degrees below and above maltoheptaose (DP 7), probably due to molecular conformation changes and possible matrix interaction effects. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Band-Bending of Ga-Polar GaN Interfaced with Al2O3 through Ultraviolet/Ozone Treatment.
Kim, Kwangeun; Ryu, Jae Ha; Kim, Jisoo; Cho, Sang June; Liu, Dong; Park, Jeongpil; Lee, In-Kyu; Moody, Baxter; Zhou, Weidong; Albrecht, John; Ma, Zhenqiang
2017-05-24
Understanding the band bending at the interface of GaN/dielectric under different surface treatment conditions is critically important for device design, device performance, and device reliability. The effects of ultraviolet/ozone (UV/O 3 ) treatment of the GaN surface on the energy band bending of atomic-layer-deposition (ALD) Al 2 O 3 coated Ga-polar GaN were studied. The UV/O 3 treatment and post-ALD anneal can be used to effectively vary the band bending, the valence band offset, conduction band offset, and the interface dipole at the Al 2 O 3 /GaN interfaces. The UV/O 3 treatment increases the surface energy of the Ga-polar GaN, improves the uniformity of Al 2 O 3 deposition, and changes the amount of trapped charges in the ALD layer. The positively charged surface states formed by the UV/O 3 treatment-induced surface factors externally screen the effect of polarization charges in the GaN, in effect, determining the eventual energy band bending at the Al 2 O 3 /GaN interfaces. An optimal UV/O 3 treatment condition also exists for realizing the "best" interface conditions. The study of UV/O 3 treatment effect on the band alignments at the dielectric/III-nitride interfaces will be valuable for applications of transistors, light-emitting diodes, and photovoltaics.
Reconstruction of Band Structure Induced by Electronic Nematicity in an FeSe Superconductor
NASA Astrophysics Data System (ADS)
Nakayama, K.; Miyata, Y.; Phan, G. N.; Sato, T.; Tanabe, Y.; Urata, T.; Tanigaki, K.; Takahashi, T.
2014-12-01
We have performed high-resolution angle-resolved photoemission spectroscopy on an FeSe superconductor (Tc˜8 K ), which exhibits a tetragonal-to-orthorhombic structural transition at Ts˜90 K . At low temperature, we found splitting of the energy bands as large as 50 meV at the M point in the Brillouin zone, likely caused by the formation of electronically driven nematic states. This band splitting persists up to T ˜110 K , slightly above Ts, suggesting that the structural transition is triggered by the electronic nematicity. We have also revealed that at low temperature the band splitting gives rise to a van Hove singularity within 5 meV of the Fermi energy. The present result strongly suggests that this unusual electronic state is responsible for the unconventional superconductivity in FeSe.
Toward a High-Efficient Utilization of Solar Radiation by Quad-Band Solar Spectral Splitting.
Cao, Feng; Huang, Yi; Tang, Lu; Sun, Tianyi; Boriskina, Svetlana V; Chen, Gang; Ren, Zhifeng
2016-12-01
The promising quad-band solar spectral splitter incorporates the properties of the optical filter and the spectrally selective solar thermal absorber can direct PV band to PV modules and absorb thermal band energy for thermal process with low thermal losses. It provides a new strategy for spectral splitting and offers potential ways for hybrid PVT system design. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
C (G)-Band & X (I) - Band Noncoherent Radar Transponder Performance Specification Standard
2002-04-01
TRAINING RANGE NEVADA TEST SITE STANDARD 262-02 ELECTRONIC TRAJECTORY MEASUREMENTS GROUP C (G) – BAND & X (I) – BAND NONCOHERENT RADAR...Date 00 Apr 2002 Report Type N/A Dates Covered (from... to) - Title and Subtitle C (G)-Band & X (I) - Band Noncoherent Radar Transponder...Number of Pages 157 i STANDARD 262-02 C (G) – BAND & X (I) – BAND NONCOHERENT RADAR TRANSPONDER PERFORMANCE SPECIFICATION STANDARD APRIL 2002 Prepared by
DOE Office of Scientific and Technical Information (OSTI.GOV)
Yater, J. E., E-mail: joan.yater@nrl.navy.mil; Shaw, J. L.; Pate, B. B.
2016-02-07
Secondary-electron-emission (SEE) current measured from high-purity, single-crystal (100) chemical-vapor-deposited diamond is found to increase when sub-band gap (3.06 eV) photons are incident on the hydrogenated surface. Although the light does not produce photoemission directly, the SEE current increases by more than a factor of 2 before saturating with increasing laser power. In energy distribution curves (EDCs), the emission peak shows a corresponding increase in intensity with increasing laser power. However, the emission-onset energy in the EDCs remains constant, indicating that the bands are pinned at the surface. On the other hand, changes are observed on the high-energy side of the distributionmore » as the laser power increases, with a well-defined shoulder becoming more pronounced. From an analysis of this feature in the EDCs, it is deduced that upward band bending is present in the near-surface region during the SEE measurements and this band bending suppresses the SEE yield. However, sub-band gap photon illumination reduces the band bending and thereby increases the SEE current. Because the bands are pinned at the surface, we conclude that the changes in the band levels occur below the surface in the electron transport region. Sample heating produces similar effects as observed with sub-band gap photon illumination, namely, an increase in SEE current and a reduction in band bending. However, the upward band bending is not fully removed by either increasing laser power or temperature, and a minimum band bending of ∼0.8 eV is established in both cases. The sub-band gap photo-excitation mechanism is under further investigation, although it appears likely at present that defect or gap states play a role in the photo-enhanced SEE process. In the meantime, the study demonstrates the ability of visible light to modify the electronic properties of diamond and enhance the emission capabilities, which may have potential impact for diamond-based vacuum
2D XANES-XEOL mapping: observation of enhanced band gap emission from ZnO nanowire arrays
NASA Astrophysics Data System (ADS)
Wang, Zhiqiang; Guo, Xiaoxuan; Sham, Tsun-Kong
2014-05-01
Using 2D XANES-XEOL spectroscopy, it is found that the band gap emission of ZnO nanowire arrays is substantially enhanced i.e. that the intensity ratio between the band gap and defect emissions increases by more than an order of magnitude when the excitation energy is scanned across the O K-edge. Possible mechanisms are discussed.Using 2D XANES-XEOL spectroscopy, it is found that the band gap emission of ZnO nanowire arrays is substantially enhanced i.e. that the intensity ratio between the band gap and defect emissions increases by more than an order of magnitude when the excitation energy is scanned across the O K-edge. Possible mechanisms are discussed. Electronic supplementary information (ESI) available: XEOL spectra with different excitation energies. X-ray attenuation length vs. photon energy. Details of surface defects in ZnO NWs. The second O K-edge and Zn L-edge 2D XANES-XEOL maps. Comparison of the first and second TEY at O K-edge and Zn L-edge scans, respectively. Raman spectra of the ZnO NWs with different IBGE/IDE ratios. See DOI: 10.1039/c4nr01049c
Giant photovoltaic response in band engineered ferroelectric perovskite.
Pal, Subhajit; Swain, Atal Bihari; Biswas, Pranab Parimal; Murali, D; Pal, Arnab; Nanda, B Ranjit K; Murugavel, Pattukkannu
2018-05-22
Recently the solar energy, an inevitable part of green energy source, has become a mandatory topics in frontier research areas. In this respect, non-centrosymmetric ferroelectric perovskites with open circuit voltage (V OC ) higher than the bandgap, gain tremendous importance as next generation photovoltaic materials. Here a non-toxic co-doped Ba 1-x (Bi 0.5 Li 0.5 ) x TiO 3 ferroelectric system is designed where the dopants influence the band topology in order to enhance the photovoltaic effect. In particular, at the optimal doping concentration (x opt ~ 0.125) the sample reveals a remarkably high photogenerated field E OC = 320 V/cm (V OC = 16 V), highest ever reported in any bulk polycrystalline non-centrosymmetric systems. The band structure, examined through DFT calculations, suggests that the shift current mechanism is key to explain the large enhancement in photovoltaic effect in this family.
Optical depth measurements by shadow-band radiometers and their uncertainties.
Alexandrov, Mikhail D; Kiedron, Peter; Michalsky, Joseph J; Hodges, Gary; Flynn, Connor J; Lacis, Andrew A
2007-11-20
Shadow-band radiometers in general, and especially the Multi-Filter Rotating Shadow-band Radiometer (MFRSR), are widely used for atmospheric optical depth measurements. The major programs running MFRSR networks in the United States include the Department of Energy Atmospheric Radiation Measurement (ARM) Program, U.S. Department of Agriculture UV-B Monitoring and Research Program, National Oceanic and Atmospheric Administration Surface Radiation (SURFRAD) Network, and NASA Solar Irradiance Research Network (SIRN). We discuss a number of technical issues specific to shadow-band radiometers and their impact on the optical depth measurements. These problems include instrument tilt and misalignment, as well as some data processing artifacts. Techniques for data evaluation and automatic detection of some of these problems are described.
NASA Astrophysics Data System (ADS)
Yu, Xiongdong; Yuan, Zhigang; Huang, Shiyong; Yao, Fei; Wang, Dedong; Funsten, Herbert O.; Wygant, John R.
2018-02-01
A typical case of electromagnetic ion cyclotron (EMIC) emissions with both He+ band and O+ band waves was observed by Van Allen Probe A on 14 July 2014. These emissions occurred in the morning sector on the equator inside the plasmasphere, in which region O+ band EMIC waves prefer to appear. Through property analysis of these emissions, it is found that the He+ band EMIC waves are linearly polarized and propagating quasi-parallelly along the background magnetic field, while the O+ band ones are of linear and left-hand polarization and propagating obliquely with respect to the background magnetic field. Using the in situ observations of plasma environment and particle data, excitation of these O+ band EMIC waves has been investigated with the linear growth theory. The calculated linear growth rate shows that these O+ band EMIC waves can be locally excited by ring current protons with ring velocity distributions. The comparison of the observed wave spectral intensity and the calculated growth rate suggests that the density of H+ rings providing the free energy for the instability has decreased after the wave grows. Therefore, this paper provides a direct observational evidence to the excitation mechanism of O+ band EMIC waves: ring current protons with ring distributions provide the free energy supporting the instability in the presence of rich O+ in the plasmasphere.
Conversion of laser energy to gas kinetic energy
NASA Technical Reports Server (NTRS)
Caledonia, G. E.
1977-01-01
Techniques for the gas-phase absorption of laser energy with ultimate conversion to heat or directed kinetic energy are reviewed. It is shown that the efficiency of resonance absorption by the vibration/rotation bands of the working gas can be enhanced by operating at sufficiently high pressures so that the linewidths of the absorbing transition exceed the line spacing. Within this limit, the gas can absorb continuously over the full spectral region of the band, and bleaching can be minimized since the manifold of molecular vibrational levels can simultaneously absorb the laser radiation.
Coloured leg bands affect male mate-guarding behaviour in the bluethroat
Johnsen; Lifjeld; Rohde
1997-07-01
Artificial traits such as coloured leg bands may affect an individual's mating success, as shown for some birds. One explanation is that colour-matching with a sexual ornament affects the individual's sexual attractiveness. This study reports a colour-band experiment with free-living bluethroats, Luscinia s. svecicaa species where males have a distinct blue and chestnut throat and upper breast. There was no apparent difference in pairing success between males with ornament-matching colour bands (blue and orange) and males with non-ornamental colour bands. However, males with ornamental bands guarded their mates less intensely and spent more time singing, performing song flights and intruding into neighbours' territories than males with non-ornamental bands. We conclude that colour bands affect the trade-off between mate guarding and advertisement behaviour in a way that is consistent with the hypothesis that bands with ornamental colours improve a male's attractiveness. The results are in concordance with a previous study of the same population, showing that males with experimentally reduced attractiveness guarded their mates more closely and advertised less for additional mates, than non-manipulated males.
Ultrafast band-gap oscillations in iron pyrite
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kolb, B; Kolpak, AM
2013-12-20
With its combination of favorable band gap, high absorption coefficient, material abundance, and low cost, iron pyrite, FeS2, has received a great deal of attention over the past decades as a promising material for photovoltaic applications such as solar cells and photoelectrochemical cells. Devices made from pyrite, however, exhibit open circuit voltages significantly lower than predicted, and despite a recent resurgence of interest in the material, there currently exists no widely accepted explanation for this disappointing behavior. In this paper, we show that phonons, which have been largely overlooked in previous efforts, may play a significant role. Using fully self-consistentmore » GW calculations, we demonstrate that a phonon mode related to the oscillation of the sulfur-sulfur bond distance in the pyrite structure is strongly coupled to the energy of the conduction-band minimum, leading to an ultrafast (approximate to 100 fs) oscillation in the band gap. Depending on the coherency of the phonons, we predict that this effect can cause changes of up to +/- 0.3 eV relative to the accepted FeS2 band gap at room temperature. Harnessing this effect via temperature or irradiation with infrared light could open up numerous possibilities for novel devices such as ultrafast switches and adaptive solar absorbers.« less
NASA Astrophysics Data System (ADS)
Liu, Q.; Li, X.; Liu, G.; Huang, C.; Li, H.; Guan, X.
2018-04-01
The Tiangong-II space lab was launched at the Jiuquan Satellite Launch Center of China on September 15, 2016. The Wide Band Spectral Imager (WBSI) onboard the Tiangong-II has 14 visible and near-infrared (VNIR) spectral bands covering the range from 403-990 nm and two shortwave infrared (SWIR) bands covering the range from 1230-1250 nm and 1628-1652 nm respectively. In this paper the selected bands are proposed which aims at considering the closest spectral similarities between the VNIR with 100 m spatial resolution and SWIR bands with 200 m spatial resolution. The evaluation of Gram-Schmidt transform (GS) sharpening techniques embedded in ENVI software is presented based on four types of the different low resolution pan band. The experimental results indicated that the VNIR band with higher CC value with the raw SWIR Band was selected, more texture information was injected the corresponding sharpened SWIR band image, and at that time another sharpened SWIR band image preserve the similar spectral and texture characteristics to the raw SWIR band image.
NASA Astrophysics Data System (ADS)
Di Gaspare, L.; Capellini, G.; Chudoba, C.; Sebastiani, M.; Evangelisti, F.
1996-09-01
We apply a new experimental method for determining band lineups at the Ge/Si(100) heterostructure. This method uses a modern version of an old spectroscopy: the photoelectric yield spectroscopy excited with photons in the near UV range. It is shown that both substrate and overlayer valence-band tops can be identified in the yield spectrum, thus allowing a direct and precise determination of the band lineup. We find an offset of 0.36 ± 0.02 eV for heterojunctions whose overlayers were grown according to the Stranski-Krastanov mechanism.
Management of Gastric Obstruction Caused by Adjustable Gastric Band.
Czeiger, David; Abu-Swis, Shadi; Shaked, Gad; Ovnat, Amnon; Sebbag, Gilbert
2016-12-01
Optimal adjustment of the filling volume of laparoscopic adjustable gastric banding is challenging and commonly performed empirically. Patients with band over-inflation and gastric obstruction arrive at the emergency department complaining of recurrent vomiting. In cases of gastric obstruction, intra-band pressure measurement may assist in determining the amount of fluid that should be removed from the band; however, our investigations have determined that intra-band pressure assessment need not play a role in the treatment of gastric band obstruction. In patients coming to the emergency department with gastric band obstruction, we measured intra-band pressure at arrival and following stepped removal of fluid, comparing the initial pressure with post-deflation pressure and measuring the volume of fluid removed. Forty-eight patients participated in the study. Forty-five patients had a low-pressure/high-volume band. Their mean baseline pressure was 54.6 ± 22.3 mmHg. The mean volume of fluid removed from the band was 1.3 ± 0.8 ml. The mean post-deflation pressure was 22.5 ± 16.3 mmHg. Nearly 30 % of patients required as little as 0.5 ml of fluid removal, and 60 % of them were free of symptoms with removal of 1 ml. Our results indicate that intra-band pressure measurement is of little value for determining the amount of fluid that should be removed for treatment of band obstruction. We suggest the removal of fluid in volumes of 0.5 ml until symptoms are relieved. Only in complicated cases, such as in patients having recurrent obstructions, should additional modalities be employed for further management guidance.
Effect of thermal stresses on frequency band structures of elastic metamaterial plates
NASA Astrophysics Data System (ADS)
Wu, Ying; Yu, Kaiping; Yang, Linyun; Zhao, Rui; Shi, Xiaotian; Tian, Kuo
2018-01-01
We investigate the effect of thermal stresses on the band structure of elastic metamaterial plates by developing a useful finite-element based method. The thermal field is assumed to be uniform throughout the whole plate. Specifically, we find that the stiffness matrix of plate element is comprised of elastic and thermal stresses parts, which can be regarded as a linear function of temperature difference. We additionally demonstrate that the relative magnitudes between elastic properties and thermal stresses will lead to nonlinear effects on frequency band structures based on two different types of metamaterial plates made of single and double inclusions of square plates, respectively. Then, we validate the proposed approach by comparing the band structures with the frequency response curves obtained in finite periodic structures. We conduct sensitivity analysis and discuss in-depth the sensitivities of band structures with respect to temperature difference to quantitatively investigate the effect of thermal stresses on each band. In addition, the coupled effects of thermal stresses and temperature-dependent material properties on the band structure of Aluminum/silicone rubber plate have also been discussed. The proposed method and new findings in this paper extends the ability of existing metamaterial plates by enabling tunability over a wide range of frequencies in thermal environments.
Renewable Energy Development on Tribal Lamds of Viejas
DOE Office of Scientific and Technical Information (OSTI.GOV)
Terrence Meyer; Mike Elenbaas
2005-09-30
The purpose of this study is to investigate the feasibility of Renewable Energy Development on the lands of the Viejas Band of the Kumeyaay Indian Nation. In addition, the study will investigate the feasibility of forming a renewable energy based tribal utility. Viejas contracted with Black & Veatch and Fredericks, Pelcyger & Hester, LLC to assist in the development of a feasibility study to ascertain the economics and operational factors of forming an electric and water utility. This report is the result of the investigation conducted by Black & Veatch, with input from Viejas Tribal Government.
Inertial energy storage device
Knight, Jr., Charles E.; Kelly, James J.; Pollard, Roy E.
1978-01-01
The inertial energy storage device of the present invention comprises a composite ring formed of circumferentially wound resin-impregnated filament material, a flanged hollow metal hub concentrically disposed in the ring, and a plurality of discrete filament bandsets coupling the hub to the ring. Each bandset is formed of a pair of parallel bands affixed to the hub in a spaced apart relationship with the axis of rotation of the hub being disposed between the bands and with each band being in the configuration of a hoop extending about the ring along a chordal plane thereof. The bandsets are disposed in an angular relationship with one another so as to encircle the ring at spaced-apart circumferential locations while being disposed in an overlapping relationship on the flanges of the hub. The energy storage device of the present invention has the capability of substantial energy storage due to the relationship of the filament bands to the ring and the flanged hub.
Temporal patterns of apparent leg band retention in North American geese
Zimmerman, Guthrie S.; Kendall, William L.; Moser, Timothy J.; White, Gary C.; Doherty, Paul F.
2009-01-01
An important assumption of mark?recapture studies is that individuals retain their marks, which has not been assessed for goose reward bands. We estimated aluminum leg band retention probabilities and modeled how band retention varied with band type (standard vs. reward band), band age (1-40 months), and goose characteristics (species and size class) for Canada (Branta canadensis), cackling (Branta hutchinsii), snow (Chen caerulescens), and Ross?s (Chen rossii) geese that field coordinators double-leg banded during a North American goose reward band study (N = 40,999 individuals from 15 populations). We conditioned all models in this analysis on geese that were encountered with >1 leg band still attached (n = 5,747 dead recoveries and live recaptures). Retention probabilities for standard aluminum leg bands were high (estimate of 0.9995, SE = 0.001) and constant over 1-40 months. In contrast, apparent retention probabilities for reward bands demonstrated an interactive relationship between 5 size and species classes (small cackling, medium Canada, large Canada, snow, and Ross?s geese). In addition, apparent retention probabilities for each of the 5 classes varied quadratically with time, being lower immediately after banding and at older age classes. The differential retention probabilities among band type (reward vs. standard) that we observed suggests that 1) models estimating reporting probability should incorporate differential band loss if it is nontrivial, 2) goose managers should consider the costs and benefits of double-banding geese on an operational basis, and 3) the United States Geological Survey Bird Banding Lab should modify protocols for receiving recovery data.
Nature of the valence band states in Bi2(Ca, Sr, La)3Cu2O8
NASA Astrophysics Data System (ADS)
Wells, B. O.; Lindberg, P. A. P.; Shen, Z.-X.; Dessau, D. S.; Spicer, W. E.; Lindau, I.; Mitzi, D. B.; Kapitulnik, A.
1990-01-01
We have used photoemission spectroscopy to examine the symmetry of the occupied states of the valence band for the La doped superconductor Bi2(Ca, Sr, La)3Cu2O8. While the oxygen states near the bottom of the 7 eV wide valence band exhibit predominantly O 2pz symmetry, the states at the top of the valence band extending to the Fermi level are found to have primarily O 2px and O 2py character. We have also examined anomalous intensity enhancements in the valence band feature for photon energies near 18 eV. These enhancements, which occur at photon energies ranging from 15.8 to 18.0 eV for the different valence band features, are not consistent with either simple final state effects or direct O2s transitions to unoccupied O2p states.
Dual-band frequency selective surface with large band separation and stable performance
NASA Astrophysics Data System (ADS)
Zhou, Hang; Qu, Shao-Bo; Peng, Wei-Dong; Lin, Bao-Qin; Wang, Jia-Fu; Ma, Hua; Zhang, Jie-Qiu; Bai, Peng; Wang, Xu-Hua; Xu, Zhuo
2012-05-01
A new technique of designing a dual-band frequency selective surface with large band separation is presented. This technique is based on a delicately designed topology of L- and Ku-band microwave filters. The two band-pass responses are generated by a capacitively-loaded square-loop frequency selective surface and an aperture-coupled frequency selective surface, respectively. A Faraday cage is located between the two frequency selective surface structures to eliminate undesired couplings. Based on this technique, a dual-band frequency selective surface with large band separation is designed, which possesses large band separation, high selectivity, and stable performance under various incident angles and different polarizations.
Tromp, R M; Fujikawa, Y; Hannon, J B; Ellis, A W; Berghaus, A; Schaff, O
2009-08-05
Addition of an electron energy filter to low energy electron microscopy (LEEM) and photoelectron emission microscopy (PEEM) instruments greatly improves their analytical capabilities. However, such filters tend to be quite complex, both electron optically and mechanically. Here we describe a simple energy filter for the existing IBM LEEM/PEEM instrument, which is realized by adding a single scanning aperture slit to the objective transfer optics, without any further modifications to the microscope. This energy filter displays a very high energy resolution ΔE/E = 2 × 10(-5), and a non-isochromaticity of ∼0.5 eV/10 µm. The setup is capable of recording selected area electron energy spectra and angular distributions at 0.15 eV energy resolution, as well as energy filtered images with a 1.5 eV energy pass band at an estimated spatial resolution of ∼10 nm. We demonstrate the use of this energy filter in imaging and spectroscopy of surfaces using a laboratory-based He I (21.2 eV) light source, as well as imaging of Ag nanowires on Si(001) using the 4 eV energy loss Ag plasmon.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Zhang, S.B.; Cohen, M.L.; Louie, S.G.
1990-05-15
A newly developed first-principles quasiparticle theory is used to calculate the band offset at the (001) interface and band gaps in 1{times}1 and 2{times}2 superlattices of GaAs-AlAs heterojunctions. We find a sizable many-body contribution to the valence-band offset which is dominated by the many-body corrections to bulk GaAs and AlAs quasiparticle energies. The resultant offset {Delta}{ital E}{sub {ital v}}=0.53{plus minus}0.05 eV is in good agreement with the recent experimental values of 0.50--0.56 eV. Our calculated direct band gaps for ultrathin superlattices are also in good agreement with experiment. The {ital X}{sub 1{ital c}}-derived state at point {bar {Gamma}}, is however,more » above the {Gamma}{sub 1{ital c}}-derived state for both the 1{times}1 and 2{times}2 lattices, contrary to results obtained under the virtual-crystal approximation (a limiting case for the Kronig-Penny model) and some previous local-density-approximation (corrected) calculations. The differences are explained in terms of atomic-scale localizations and many-body effects. Oscillator strengths and the effects of disorder on the spectra are discussed.« less
NASA Astrophysics Data System (ADS)
Gao, Xinliang; Lu, Quanming; Wang, Shaojie; Wang, Shui
2018-05-01
Whistler-mode waves play a crucial role in controlling electron dynamics in the Earth's Van Allen radiation belt, which is increasingly important for spacecraft safety. Using THEMIS waveform data, Gao et al. [X. L. Gao, Q. Lu, J. Bortnik, W. Li, L. Chen, and S. Wang, Geophys. Res. Lett., 43, 2343-2350, 2016] have reported two multiband chorus events, wherein upper-band chorus appears at harmonics of lower-band chorus. They proposed that upper-band harmonic waves are excited through the nonlinear coupling between the electromagnetic and electrostatic components of lower-band chorus, a second-order effect called "lower band cascade". However, the theoretical explanation of lower band cascade was not thoroughly explained in the earlier work. In this paper, based on a cold plasma assumption, we have obtained the explicit nonlinear driven force of lower band cascade through a full nonlinear theoretical analysis, which includes both the ponderomotive force and coupling between electrostatic and electromagnetic components of the pump whistler wave. Moreover, we discover the existence of an efficient energy-transfer (E-t) channel from lower-band to upper-band whistler-mode waves during lower band cascade for the first time, which is also confirmed by PIC simulations. For lower-band whistler-mode waves with a small wave normal angle (WNA), the E-t channel is detected when the driven upper-band wave nearly satisfies the linear dispersion relation of whistler mode. While, for lower-band waves with a large WNA, the E-t channel is found when the lower-band wave is close to its resonant frequency, and the driven upper-band wave becomes quasi-electrostatic. Through this efficient channel, the harmonic upper band of whistler waves is generated through energy cascade from the lower band, and the two-band spectral structure of whistler waves is then formed. Both two types of banded whistler-mode spectrum have also been successfully reproduced by PIC simulations.
Generation of Multi-band Chorus by Lower Band Cascade in the Earth's Magnetosphere
NASA Astrophysics Data System (ADS)
Gao, X.; Lu, Q.; Chen, L.; Bortnik, J.; Li, W.; Wang, S.
2016-12-01
Chorus waves are intense electromagnetic whistler-mode emissions in the magnetosphere, typically falling into two distinct frequency bands: a lower band (0.1-0.5fce) and an upper band (0.5-0.8fce) with a power gap at about 0.5fce. In this letter, with the THEMIS satellite, we observed two special chorus events, which are called as multi-band chorus because upper band chorus is located at harmonics of lower band chorus. We propose a new potential generation mechanism for multi-band chorus, which is called as lower band cascade. In this scenario, a density mode with a frequency equal to that of lower band chorus is caused by the ponderomotive effect (inhomogeneity of the electric amplitude) along the wave vector, and then upper band chorus with the frequency twice that of lower band chorus is generated through wave-wave couplings between lower band chorus and the density mode. The mechanism provides a new insight into the evolution of whistler-mode chorus in the Earth's magnetosphere.
Band gap engineering of BC2N for nanoelectronic applications
NASA Astrophysics Data System (ADS)
Lim, Wei Hong; Hamzah, Afiq; Ahmadi, Mohammad Taghi; Ismail, Razali
2017-12-01
The BC2N as an example of boron-carbon-nitride (BCN), has the analogous structure as the graphene and boron nitride. It is predicted to have controllable electronic properties. Therefore, the analytical study on the engineer-able band gap of the BC2N is carried out based on the schematic structure of BC2N. The Nearest Neighbour Tight Binding (NNTB) model is employed with the dispersion relation and the density of state (DOS) as the main band gap analysing parameter. The results show that the hopping integrals having the significant effect on the band gap, band structure and DOS of BC2N nanowire (BC2NNW) need to be taken into consideration. The presented model indicates consistent trends with the published computational results around the Dirac points with the extracted band gap of 0.12 eV. Also, it is distinguished that wide energy gap of boron nitride (BN) is successfully narrowed by this carbon doped material which assures the application of BC2N on the nanoelectronics and optoelectronics in the near future.
Permanent magnet focused X-band photoinjector
Yu, David U. L.; Rosenzweig, James
2002-09-10
A compact high energy photoelectron injector integrates the photocathode directly into a multicell linear accelerator with no drift space between the injection and the linac. High electron beam brightness is achieved by accelerating a tightly focused electron beam in an integrated, multi-cell, X-band rf linear accelerator (linac). The photoelectron linac employs a Plane-Wave-Transformer (PWT) design which provides strong cell-to-cell coupling, easing manufacturing tolerances and costs.
Near-infrared emission bands of TeH and TeD
NASA Astrophysics Data System (ADS)
Fink, E. H.; Setzer, K. D.; Ramsay, D. A.; Vervloet, M.
1989-11-01
High-resolution emission spectra of TeH and TeD have been obtained in the region 4200 to 3600 cm -1 using a Bomem DA3.002 Fourier transform spectrometer. Analyses are given for the 0-0 and 1-1 bands of the X 22Π{1}/{2}-X 12Π{3}/{2} system of TeH and for the 0-0 band of TeD. In addition the 2-0 vibrational overtone bands of 130TeH, 128TeH, and 126TeH are observed and analyzed. Accurate molecular constants are given for the first time.
NASA Technical Reports Server (NTRS)
Hada, M.; Saganti, P. B.; Gersey, B.; Wilkins, R.; Cucinotta, F. A.; Wu, H.
2007-01-01
High-energy secondary neutrons, produced by the interaction of galactic cosmic rays (GCR) with the atmosphere, spacecraft structure and planetary surfaces, contribute a significant fraction to the dose equivalent radiation measurement in crew members and passengers of commercial aviation travel as well as astronauts in space missions. The Los Alamos Nuclear Science Center (LANSCE) neutron facility's 30L beam line (4FP30L-A/ICE House) is known to generate neutrons that simulate the secondary neutron spectrum of the Earth's atmosphere at high altitude. The neutron spectrum is also similar to that measured onboard spacecrafts like the MIR and the International Space Station (ISS). To evaluate the biological damage, we exposed human epithelial cells in vitro to the LANSCE neutron beams with an entrance dose rate of 2.5 cGy/hr, and studied the induction of chromosome aberrations that were identified with multicolor-banding in situ hybridization (mBAND) technique. With this technique, individually painted chromosomal bands on one chromosome allowed the identification of inter-chromosomal aberrations (translocation to unpainted chromosomes) and intra-chromosomal aberrations (inversions and deletions within a single painted chromosome). Compared to our previous results with gamma-rays and 600 MeV/nucleon Fe ions of high dose rate at NSRL (NASA Space Radiation Laboratory at Brookhaven National Laboratory), the neutron data from the LANSCE experiments showed significantly higher frequency of chromosome aberrations. However, detailed analysis of the inversion type revealed that all of the three radiation types in the study induced a low incidence of simple inversions. Most of the inversions in gamma-ray irradiated samples were accompanied by other types of intrachromosomal aberrations but few inversions were accompanied by interchromosomal aberrations. In contrast, neutrons and Fe ions induced a significant fraction of inversions that involved complex rearrangements of both
Werling, Malin; Olbers, Torsten; Fändriks, Lars; Bueter, Marco; Lönroth, Hans; Stenlöf, Kaj; le Roux, Carel W
2013-01-01
Gastric bypass results in greater weight loss than Vertical banded gastroplasty (VBG), but the underlying mechanisms remain unclear. In addition to effects on energy intake the two bariatric techniques may differentially influence energy expenditure (EE). Gastric bypass in rats increases postprandial EE enough to result in elevated EE over 24 hours. This study aimed to investigate alterations in postprandial EE after gastric bypass and VBG in humans. Fourteen women from a randomized clinical trial between gastric bypass (n = 7) and VBG (n = 7) were included. Nine years postoperatively and at weight stability patients were assessed for body composition and calorie intake. EE was measured using indirect calorimetry in a respiratory chamber over 24 hours and focused on the periods surrounding meals and sleep. Blood samples were analysed for postprandial gut hormone responses. Groups did not differ regarding body composition or food intake either preoperatively or at study visit. Gastric bypass patients had higher EE postprandially (p = 0.018) and over 24 hours (p = 0.048) compared to VBG patients. Postprandial peptide YY (PYY) and glucagon like peptide 1 (GLP-1) levels were higher after gastric bypass (both p<0.001). Gastric bypass patients have greater meal induced EE and total 24 hours EE compared to VBG patients when assessed 9 years postoperatively. Postprandial satiety gut hormone responses were exaggerated after gastric bypass compared to VBG. Long-term weight loss maintenance may require significant changes in several physiological mechanisms which will be important to understand if non-surgical approaches are to mimic the effects of bariatric surgery.
Tam, Charmaine S; Redman, Leanne M; Greenway, Frank; LeBlanc, Karl A; Haussmann, Mark G; Ravussin, Eric
2016-10-01
It is not known whether the magnitude of metabolic adaptation, a greater than expected drop in energy expenditure, depends on the type of bariatric surgery and is associated with cardiometabolic improvements. To compare changes in energy expenditure (metabolic chamber) and circulating cardiometabolic markers 8 weeks and 1 year after Roux-en-y bypass (RYGB), sleeve gastrectomy (SG), laparoscopic adjustable gastric band (LAGB), or a low-calorie diet (LCD). Design, Setting, Participants, and Intervention: This was a parallel-arm, prospective observational study of 30 individuals (27 females; mean age, 46 ± 2 years; body mass index, 47.2 ± 1.5 kg/m 2 ) either self-selecting bariatric surgery (five RYGB, nine SG, seven LAGB) or on a LCD (n = 9) intervention (800 kcal/d for 8 weeks, followed by weight maintenance). After 1 year, the RYGB and SG groups had similar degrees of body weight loss (33-36%), whereas the LAGB and LCD groups had 16 and 4% weight loss, respectively. After adjusting for changes in body composition, 24-hour energy expenditure was significantly decreased in all treatment groups at 8 weeks (-254 to -82 kcal/d), a drop that only persisted in RYGB (-124 ± 42 kcal/d; P = .002) and SG (-155 ± 118 kcal/d; P = .02) groups at 1 year. The degree of metabolic adaptation (24-hour and sleeping energy expenditure) was not significantly different between the treatment groups at either time-point. Plasma high-density lipoprotein and total and high molecular weight adiponectin were increased, and triglycerides and high-sensitivity C-reactive protein levels were reduced 1 year after RYGB or SG. Metabolic adaptation of approximately 150 kcal/d occurs after RYGB and SG surgery. Future studies are required to examine whether these effects remain beyond 1 year.
Intermediate Band Material of Titanium-Doped Tin Disulfide for Wide Spectrum Solar Absorption.
Hu, Keyan; Wang, Dong; Zhao, Wei; Gu, Yuhao; Bu, Kejun; Pan, Jie; Qin, Peng; Zhang, Xian; Huang, Fuqiang
2018-04-02
Intermediate band (IB) materials are of great significance due to their superior solar absorption properties. Here, two IBs peaking at 0.88 and 1.33 eV are reported to be present in the forbidden gap of semiconducting SnS 2 ( E g = 2.21 eV) by doping titanium up to 6 atom % into the Sn site via a solid-state reaction at 923 K. The solid solution of Sn 1- x Ti x S 2 is able to be formed, which is attributed to the isostructural structure of SnS 2 and TiS 2 . These two IBs were detected in the UV-vis-NIR absorption spectra with the appearance of two additional absorption responses at the respective regions, which in good agreement with the conclusion of first-principles calculations. The valence band maximum (VBM) consists mostly of the S 3p state, and the conduction band minimum (CBM) is the hybrid state composing of Ti 3d (e g ), S 3p, and Sn 5s, and the IBs are mainly the nondegenerate t 2g states of Ti 3d orbitals. The electronic states of Ti 3d reveal a good ability to transfer electrons between metal and S atoms. These wide-spectrum absorption IBs bring about more solar energy utilization to enhance solar thermal collection and photocatalytic degradation of methyl orange.
Utilizing gamma band to improve mental task based brain-computer interface design.
Palaniappan, Ramaswamy
2006-09-01
A common method for designing brain-computer Interface (BCI) is to use electroencephalogram (EEG) signals extracted during mental tasks. In these BCI designs, features from EEG such as power and asymmetry ratios from delta, theta, alpha, and beta bands have been used in classifying different mental tasks. In this paper, the performance of the mental task based BCI design is improved by using spectral power and asymmetry ratios from gamma (24-37 Hz) band in addition to the lower frequency bands. In the experimental study, EEG signals extracted during five mental tasks from four subjects were used. Elman neural network (ENN) trained by the resilient backpropagation algorithm was used to classify the power and asymmetry ratios from EEG into different combinations of two mental tasks. The results indicated that ((1) the classification performance and training time of the BCI design were improved through the use of additional gamma band features; (2) classification performances were nearly invariant to the number of ENN hidden units or feature extraction method.
Optical band gap in a cholesteric elastomer doped by metallic nanospheres
NASA Astrophysics Data System (ADS)
Hernández, Julio C.; Reyes, J. Adrián
2017-12-01
We analyzed the optical band gaps for axially propagating electromagnetic waves throughout a metallic doped cholesteric elastomer. The composed medium is made of metallic nanospheres (silver) randomly dispersed in a cholesteric elastomer liquid crystal whose dielectric properties can be represented by a resonant effective uniaxial tensor. We found that the band gap properties of the periodic system greatly depend on the volume fraction of nanoparticles in the cholesteric elastomer. In particular, we observed a displacement of the reflection band for quite small fraction volumes whereas for larger values of this fraction there appears a secondary band in the higher frequency region. We also have calculated the transmittance and reflectance spectra for our system. These calculations verify the mentioned band structure and provide additional information about the polarization features of the radiation.
NASA Astrophysics Data System (ADS)
Shank, Joshua C.; Tellekamp, M. Brooks; Doolittle, W. Alan
2015-01-01
The theoretically suggested band structure of the novel p-type semiconductor lithium niobite (LiNbO2), the direct coupling of photons to ion motion, and optically induced band structure modifications are investigated by temperature dependent photoluminescence. LiNbO2 has previously been used as a memristor material but is shown here to be useful as a sensor owing to the electrical, optical, and chemical ease of lithium removal and insertion. Despite the high concentration of vacancies present in lithium niobite due to the intentional removal of lithium atoms, strong photoluminescence spectra are observed even at room temperature that experimentally confirm the suggested band structure implying transitions from a flat conduction band to a degenerate valence band. Removal of small amounts of lithium significantly modifies the photoluminescence spectra including additional larger than stoichiometric-band gap features. Sufficient removal of lithium results in the elimination of the photoluminescence response supporting the predicted transition from a direct to indirect band gap semiconductor. In addition, non-thermal coupling between the incident laser and lithium ions is observed and results in modulation of the electrical impedance.
Passive Microwave Measurements Over Conifer Forests at L-Band and C-Band
NASA Technical Reports Server (NTRS)
LeVine, D. M.; Lang, R.; Chauhan, N.; Kim, E.; Bidwell, S.; Goodberlet, M.; Haken, M.; deMatthaeis, P.
2000-01-01
Measurements have been made at L-band and C-band over conifer forests in Virginia to study the response of passive microwave instruments to biomass and soil moisture. A series of aircraft measurements were made in July, August and November, 1999 over relatively homogenous conifer forests of varying biomass. Three radiometers participated in these measurements. These were: 1) the L-band radiometer ESTAR, a horizontally polarized synthetic aperture radiometer which has been used extensively in past measurements of soil moisture; 2) the L-band radiometer SLFMR, a vertically polarized cross-track scanner which has been used successfully in the past for mapping sea surface salinity; and 3) The ACMR, a new C-band radiometer which operates at V- and H-polarization and in the configuration for these experiments did not scan. All three radiometers were flown on the NASA P-3 aircraft based at the Goddard Space Flight Center's Wallops Flight Facility. The ESTAR and SLFMR were mounted in the bomb bay of the P-3 and imaged across track whereas the ACMR was mounted to look aft at 54 degrees up from nadir. Data was collected at altitudes of 915 meters and 457 meters. The forests consisted of relatively homogeneous "managed" stands of conifer located near Waverly, Virginia. This is a relatively flat area about 30 miles southeast of Richmond, VA with numerous stands of trees being grown for the forestry industry. The stands selected for study consisted of areas of regrowth and mature stands of pine. In addition, a small stand of very large trees was observed. Soil moisture sampling was done in each stand during the aircraft over flights. Data was collected on July 7, August 27, November 15 and November 30, 1999. Measurements were made with ESTAR on all days. The ACMR flew on the summer missions and the SLFMR was present only on the August 27 flight. Soil moisture varied from quite dry on July 7 to quite moist on November 30 (which was shortly after a period of rain). The microwave
NASA Astrophysics Data System (ADS)
Araki, Gako; Suzuki, Kazuaki; Nakayama, Hideyuki; Ishii, Kikujiro
1991-05-01
N-methylacetamide (NMA) crystal forms one-dimensional hydrogen-bond chains, which are similar to those in an acetanilide (ACN) crystal for which an unconventional vibrational band accompanying the amide-I band has been observed. Infrared spectra of NMA crystals show an additional band on the small-wave-number side of the amide-II band as the temperature is lowered. There is a close resemblance between this band and the band of ACN. It is likely that these bands appear by the same mechanism. The polaron model, which has been employed to explain the band of ACN, was found to be applicable also to the case of NMA, although the main vibrational mode is amide I in ACN and amide II in NMA.
Prenatal and postnatal evaluation of polymicrogyria with band heterotopia.
Nagaraj, Usha D; Hopkin, Robert; Schapiro, Mark; Kline-Fath, Beth
2017-09-01
The coexistence of band heterotopia and polymicrogyria is extremely rare though it has been reported in the presence of corpus callosum anomalies and megalencephaly. We present prenatal and postnatal MRI findings of a rare case of diffuse cortical malformation characterized by polymicrogyria and band heterotopia. Agenesis of the corpus callosum and megalencephaly were also noted. In addition, bilateral closed-lip schizencephaly was identified on postnatal MRI, which has not been previously reported with this combination of imaging findings. Polymicrogyria with band heterotopia can occur and can be diagnosed with fetal MRI. The coexistence of corpus callosum anomalies and megalencephaly comprises a rare phenotype that has been previously described, suggesting an underlying genetic abnormality.
Wang, Y. Y.; Grygiel, C.; Dufour, C.; Sun, J. R.; Wang, Z. G.; Zhao, Y. T.; Xiao, G. Q.; Cheng, R.; Zhou, X. M.; Ren, J. R.; Liu, S. D.; Lei, Y.; Sun, Y. B.; Ritter, R.; Gruber, E.; Cassimi, A.; Monnet, I.; Bouffard, S.; Aumayr, F.; Toulemonde, M.
2014-01-01
Modification of surface and bulk properties of solids by irradiation with ion beams is a widely used technique with many applications in material science. In this study, we show that nano-hillocks on CaF2 crystal surfaces can be formed by individual impact of medium energy (3 and 5 MeV) highly charged ions (Xe22+ to Xe30+) as well as swift (kinetic energies between 12 and 58 MeV) heavy xenon ions. For very slow highly charged ions the appearance of hillocks is known to be linked to a threshold in potential energy (Ep) while for swift heavy ions a minimum electronic energy loss per unit length (Se) is necessary. With our results we bridge the gap between these two extreme cases and demonstrate, that with increasing energy deposition via Se the Ep-threshold for hillock production can be lowered substantially. Surprisingly, both mechanisms of energy deposition in the target surface seem to contribute in an additive way, which can be visualized in a phase diagram. We show that the inelastic thermal spike model, originally developed to describe such material modifications for swift heavy ions, can be extended to the case where both kinetic and potential energies are deposited into the surface. PMID:25034006
Wang, Y Y; Grygiel, C; Dufour, C; Sun, J R; Wang, Z G; Zhao, Y T; Xiao, G Q; Cheng, R; Zhou, X M; Ren, J R; Liu, S D; Lei, Y; Sun, Y B; Ritter, R; Gruber, E; Cassimi, A; Monnet, I; Bouffard, S; Aumayr, F; Toulemonde, M
2014-07-18
Modification of surface and bulk properties of solids by irradiation with ion beams is a widely used technique with many applications in material science. In this study, we show that nano-hillocks on CaF2 crystal surfaces can be formed by individual impact of medium energy (3 and 5 MeV) highly charged ions (Xe(22+) to Xe(30+)) as well as swift (kinetic energies between 12 and 58 MeV) heavy xenon ions. For very slow highly charged ions the appearance of hillocks is known to be linked to a threshold in potential energy (Ep) while for swift heavy ions a minimum electronic energy loss per unit length (Se) is necessary. With our results we bridge the gap between these two extreme cases and demonstrate, that with increasing energy deposition via Se the Ep-threshold for hillock production can be lowered substantially. Surprisingly, both mechanisms of energy deposition in the target surface seem to contribute in an additive way, which can be visualized in a phase diagram. We show that the inelastic thermal spike model, originally developed to describe such material modifications for swift heavy ions, can be extended to the case where both kinetic and potential energies are deposited into the surface.
NASA Astrophysics Data System (ADS)
Teranishi, Masaru; Omatu, Sigeru; Kosaka, Toshihisa
Fatigued monetary bills adversely affect the daily operation of automated teller machines (ATMs). In order to make the classification of fatigued bills more efficient, the development of an automatic fatigued monetary bill classification method is desirable. We propose a new method by which to estimate the fatigue level of monetary bills from the feature-selected frequency band acoustic energy pattern of banking machines. By using a supervised self-organizing map (SOM), we effectively estimate the fatigue level using only the feature-selected frequency band acoustic energy pattern. Furthermore, the feature-selected frequency band acoustic energy pattern improves the estimation accuracy of the fatigue level of monetary bills by adding frequency domain information to the acoustic energy pattern. The experimental results with real monetary bill samples reveal the effectiveness of the proposed method.
Multi-band optical variability studies of Blazars
NASA Astrophysics Data System (ADS)
Agarwal, Aditi
2018-04-01
To search for optical variability on a wide range of timescales, we have carried out photometric monitoring of a dozen blazars. CCD magnitudes in B, V, R and I pass-bands were determined for > 10,000f new optical observations from 300 nights made during 2011 – 2016, with an average length of 4 h each, using seven optical telescopes: four in Bulgaria, one in Greece, and two in India. We measured multiband optical flux and colour variations on diverse timescales. Blazar variability studies helped us in understanding their nature and extreme conditions within the emission region. To explain possible physical causes of the observed spectral variability, we also investigated spectral energy distributions using B, V, R, I, J and K pass-band data.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Mikhailova, M. P.; Ivanov, E. V.; Danilov, L. V.
2014-06-14
We report on superlinear electroluminescent structures based on AlSb/InAs{sub 1−x}Sb{sub x}/AlSb deep quantum wells grown by MOVPE on n-GaSb:Te substrates. Dependence of the electroluminescence (EL) spectra and optical power on the drive current in nanoheterostructures with AlSb/InAs{sub 1−x}Sb{sub x}/AlSb quantum well at 77–300 K temperature range was studied. Intensive two-band superlinear EL in the 0.5–0.8 eV photon energy range was observed. Optical power enhancement with the increasing drive current at room temperature is caused by the contribution of the additional electron-hole pairs due to the impact ionization by the electrons heated at the high energy difference between AlSb and the first electronmore » level E{sub e1} in the InAsSb QW. Study of the EL temperature dependence at 90–300 K range enabled us to define the role of the first and second heavy hole levels in the radiative recombination process. It was shown that with the temperature decrease, the relation between the energies of the valence band offset and the second heavy hole energy level changes due to the temperature transformation of the energy band diagram. That is the reason why the EL spectrum revealed radiative transitions from the first electron level E{sub e1} to the first hole level E{sub h1} in the whole temperature range (90–300 K), while the emission band related with the transitions to the second hole level occurred only at T > 200 K. Comparative examination of the nanostructures with high band offsets and different interface types (AlAs-like and InSb-like) reveals more intense EL and optical power enhancement at room temperature in the case of AlAs-like interface that could be explained by the better quality of the heterointerface and more efficient hole localization.« less
NASA Astrophysics Data System (ADS)
Meng, Fanke
Photocatalytic hydrogen generation by water splitting is a promising technique to produce clean and renewable solar fuel. The development of effective semiconductor photocatalysts to obtain efficient photocatalytic activity is the key objective. However, two critical reasons prevent wide applications of semiconductor photocatalysts: low light usage efficiency and high rates of charge recombination. In this dissertation, several low-dimensional semiconductors were synthesized with hydrothermal, hydrolysis, and chemical impregnation methods. The band structures of the low-dimensional semiconductor materials were engineered to overcome the above mentioned two shortcomings. In addition, the correlation between the photocatalytic activity of the low-dimensional semiconductor materials and their band structures were studied. First, we studied the effect of oxygen vacancies on the photocatalytic activity of one-dimensional anatase TiO2 nanobelts. Given that the oxygen vacancy plays a significant role in band structure and photocatalytic performance of semiconductors, oxygen vacancies were introduced into the anatase TiO2 nanobelts during reduction in H2 at high temperature. The oxygen vacancies of the TiO2 nanobelts boosted visible-light-responsive photocatalytic activity but weakened ultraviolet-light-responsive photocatalytic activity. As oxygen vacancies are commonly introduced by dopants, these results give insight into why doping is not always beneficial to the overall photocatalytic performance despite increases in absorption. Second, we improved the photocatalytic performance of two-dimensional lanthanum titanate (La2Ti2 O7) nanosheets, which are widely studied as an efficient photocatalyst due to the unique layered crystal structure. Nitrogen was doped into the La2Ti2O7 nanosheets and then Pt nanoparticles were loaded onto the La2Ti2O7 nanosheets. Doping nitrogen narrowed the band gap of the La2Ti 2O7 nanosheets by introducing a continuum of states by the valence
NASA Astrophysics Data System (ADS)
Yu, Y.; Tan, X.; Liu, Q.; Xue, G.; Yu, H.; Zhao, Y.; Wang, Z.
Topological band theory has attracted much attention since several types of topological metals and semimetals have been explored. These robustness of nodal band structures are symmetry-protected, whose topological features have deepened and widened the understandings of condensed matter physics. Meanwhile, as artificial quantum systems superconducting circuits possess high controllability, supplying a powerful approach to investigate topological properties of condensed matter systems. We realize a Hamiltonian with space-time (PT) symmetry by mapping momentum space of nodal band structure to parameter space in a superconducting quantum circuit. By measuring energy spectrum of the system, we observe the gapless band structure of topological semimetals, shown as Dirac points in momentum space. The phase transition from topological semimetal to topological insulator can be realized by continuously tuning the parameter in Hamiltonian. We add perturbation to broken time reversal symmetry. As long as the combined PT symmetry is preserved, the Dirac points of the topological semimetal are still observable, suggesting the robustness of the topological protection of the gapless energy band. Our work open a platform to simulate the relation between the symmetry and topological stability in condensed matter systems. Supported by the NKRDP of China (2016YFA0301802) and the GRF of Hong Kong (HKU173051/14P&HKU173055/15P).
The quasiparticle band structure of zincblende and rocksalt ZnO.
Dixit, H; Saniz, R; Lamoen, D; Partoens, B
2010-03-31
We present the quasiparticle band structure of ZnO in its zincblende (ZB) and rocksalt (RS) phases at the Γ point, calculated within the GW approximation. The effect of the p-d hybridization on the quasiparticle corrections to the band gap is discussed. We compare three systems, ZB-ZnO which shows strong p-d hybridization and has a direct band gap, RS-ZnO which is also hybridized but includes inversion symmetry and therefore has an indirect band gap, and ZB-ZnS which shows a weaker hybridization due to a change of the chemical species from oxygen to sulfur. The quasiparticle corrections are calculated with different numbers of valence electrons in the Zn pseudopotential. We find that the Zn(20+) pseudopotential is essential for the adequate treatment of the exchange interaction in the self-energy. The calculated GW band gaps are 2.47 eV and 4.27 eV respectively, for the ZB and RS phases. The ZB-ZnO band gap is underestimated compared to the experimental value of 3.27 by ∼ 0.8 eV. The RS-ZnO band gap compares well with the experimental value of 4.5 eV. The underestimation for ZB-ZnO is correlated with the strong p-d hybridization. The GW band gap for ZnS is 3.57 eV, compared to the experimental value of 3.8 eV.
Band Anticrossing in Highly Mismatched Compound Semiconductor Alloys
NASA Technical Reports Server (NTRS)
Yu, Kin Man; Wu, J.; Walukiewicz, W.; Ager, J. W.; Haller, E. E.; Miotkowski, I.; Ramdas, A.; Su, Ching-Hua; Whitaker, Ann F. (Technical Monitor)
2001-01-01
Compound semiconductor alloys in which metallic anions are partially replaced with more electronegative isoelectronic atoms have recently attracted significant attention. Group IIIN(x)V(1-x), alloys with a small amount of the electronegative N substituting more metallic column V elements has been the most extensively studied class of such Highly Mismatched Alloys (HMAs). We have shown that many of the unusual properties of the IIIN(x),V(1-x) alloys can be well explained by the Band Anticrossing (BAC) model that describes the electronic structure in terms of an interaction between highly localized levels of substitutional N and the extended states of the host semiconductor matrix. Most recently the BAC model has been also used to explain similar modifications of the electronic band structure observed in Te-rich ZnS(x)Te(l-x) and ZnSe(Y)Te(1-y) alloys. To date studies of HMAs have been limited to materials with relatively small concentrations of highly electronegative atoms. Here we report investigations of the electronic structure of ZnSe(y)Te(1-y) alloys in the entire composition range, 0 less than or equal to y less than or equal to 1. The samples used in this study are bulk ZnSe(y)Te(1-y) crystals grown by either a modified Bridgman method or by physical vapor transport. Photomodulated reflection (PR) spectroscopy was used to measure the composition dependence of optical transitions from the valence band edge and from the spin-orbit split off band to the conduction band. The pressure dependence of the band gap was measured using optical absorption in a diamond anvil cell. We find that the energy of the spin-orbit split off valence band edge does not depend on composition and is located at about 3 eV below the conduction band edge of ZnSe. On the Te-rich side the pressure and the composition dependence of the optical transitions are well explained by the BAC model which describes the downward shift of the conduction band edge in terms of the interaction between
47 CFR 15.223 - Operation in the band 1.705-10 MHz.
Code of Federal Regulations, 2010 CFR
2010-10-01
... 47 Telecommunication 1 2010-10-01 2010-10-01 false Operation in the band 1.705-10 MHz. 15.223 Section 15.223 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL RADIO FREQUENCY DEVICES Intentional Radiators Radiated Emission Limits, Additional Provisions § 15.223 Operation in the band 1.705-10...
A Passive Microwave L-Band Boreal Forest Freeze/Thaw and Vegetation Phenology Study
NASA Astrophysics Data System (ADS)
Roy, A.; Sonnentag, O.; Pappas, C.; Mavrovic, A.; Royer, A.; Berg, A. A.; Rowlandson, T. L.; Lemay, J.; Helgason, W.; Barr, A.; Black, T. A.; Derksen, C.; Toose, P.
2016-12-01
The boreal forest is the second largest land biome in the world and thus plays a major role in the global and regional climate systems. The extent, timing and duration of seasonal freeze/thaw (F/T) state influences vegetation developmental stages (phenology) and, consequently, constitute an important control on how boreal forest ecosystems exchange carbon, water and energy with the atmosphere. The effective retrieval of seasonal F/T state from L-Band radiometry was demonstrated using satellite mission. However, disentangling the seasonally differing contributions from forest overstory and understory vegetation, and the soil surface to the satellite signal remains challenging. Here we present initial results from a radiometer field campaign to improve our understanding of the L-Band derived boreal forest F/T signal and vegetation phenology. Two L-Band surface-based radiometers (SBR) are installed on a micrometeorological tower at the Southern Old Black Spruce site in central Saskatchewan over the 2016-2017 F/T season. One radiometer unit is installed on the flux tower so it views forest including all overstory and understory vegetation and the moss-covered ground surface. A second radiometer unit is installed within the boreal forest overstory, viewing the understory and the ground surface. The objectives of our study are (i) to disentangle the L-Band F/T signal contribution of boreal forest overstory from the understory and ground surface, (ii) to link the L-Band F/T signal to related boreal forest structural and functional characteristics, and (iii) to investigate the use of the L-Band signal to characterize boreal forest carbon, water and energy fluxes. The SBR observations above and within the forest canopy are used to retrieve the transmissivity (γ) and the scattering albedo (ω), two parameters that describe the emission of the forest canopy though the F/T season. These two forest parameters are compared with boreal forest structural and functional
Diluted magnetic semiconductors with narrow band gaps
NASA Astrophysics Data System (ADS)
Gu, Bo; Maekawa, Sadamichi
2016-10-01
We propose a method to realize diluted magnetic semiconductors (DMSs) with p - and n -type carriers by choosing host semiconductors with a narrow band gap. By employing a combination of the density function theory and quantum Monte Carlo simulation, we demonstrate such semiconductors using Mn-doped BaZn2As2 , which has a band gap of 0.2 eV. In addition, we found a nontoxic DMS Mn-doped BaZn2Sb2 , of which the Curie temperature Tc is predicted to be higher than that of Mn-doped BaZn2As2 , the Tc of which was up to 230 K in a recent experiment.
Composite Gypsum Binders with Silica-containing Additives
NASA Astrophysics Data System (ADS)
Chernysheva, N. V.; Lesovik, V. S.; Drebezgova, M. Yu; Shatalova, S. V.; Alaskhanov, A. H.
2018-03-01
New types of fine mineral additives are proposed for designing water-resistant Composite Gypsum Binders (CGB); these additives significantly differ from traditional quartz feed: wastes from wet magnetic separation of Banded Iron Formation (BIF WMS waste), nanodispersed silica powder (NSP), chalk. Possibility of their combined use has been studied as well.
Feng, Jingwen; Huang, Hongwei; Yu, Shixin; Dong, Fan; Zhang, Yihe
2016-03-21
The development of high-performance visible-light photocatalysts with a tunable band gap has great significance for enabling wide-band-gap (WBG) semiconductors visible-light sensitive activity and precisely tailoring their optical properties and photocatalytic performance. In this work we demonstrate the continuously adjustable band gap and visible-light photocatalysis activation of WBG BiOIO3via iodine surface modification. The iodine modified BiOIO3 was developed through a facile in situ reduction route by applying BiOIO3 as the self-sacrifice template and glucose as the reducing agent. By manipulating the glucose concentration, the band gap of the as-prepared modified BiOIO3 could be orderly narrowed by generation of the impurity or defect energy level close to the conduction band, thus endowing it with a visible light activity. The photocatalytic assessments uncovered that, in contrast to pristine BiOIO3, the modified BiOIO3 presents significantly boosted photocatalytic properties for the degradation of both liquid and gaseous contaminants, including Rhodamine B (RhB), methyl orange (MO), and ppb-level NO under visible light. Additionally, the band structure evolution as well as photocatalysis mechanism triggered by the iodine surface modification is investigated in detail. This study not only provides a novel iodine surface-modified BiOIO3 for environmental application, but also provides a facile and general way to develop highly efficient visible-light photocatalysts.
Strong coupling diagram technique for the three-band Hubbard model
NASA Astrophysics Data System (ADS)
Sherman, A.
2016-03-01
Strong coupling diagram technique equations are derived for hole Green’s functions of the three-band Hubbard model, which describes Cu-O planes of high-Tc cuprates. The equations are self-consistently solved in the approximation, in which the series for the irreducible part in powers of the oxygen-copper hopping constant is truncated to two lowest-order terms. For parameters used for hole-doped cuprates, the calculated energy spectrum consists of lower and upper Hubbard subbands of predominantly copper nature, oxygen bands with a small admixture of copper states and the Zhang-Rice states of mixed nature, which are located between the lower Hubbard subband and oxygen bands. The spectrum contains also pseudogaps near transition frequencies of Hubbard atoms on copper sites.
SNPP VIIRS Spectral Bands Co-Registration and Spatial Response Characterization
NASA Technical Reports Server (NTRS)
Lin, Guoqing; Tilton, James C.; Wolfe, Robert E.; Tewari, Krishna P.; Nishihama, Masahiro
2013-01-01
The Visible Infrared Imager Radiometer Suite (VIIRS) instrument onboard the Suomi National Polar-orbiting Partnership (SNPP) satellite was launched on 28 October 2011. The VIIRS has 5 imagery spectral bands (I-bands), 16 moderate resolution spectral bands (M-bands) and a panchromatic day/night band (DNB). Performance of the VIIRS spatial response and band-to-band co-registration (BBR) was measured through intensive pre-launch tests. These measurements were made in the non-aggregated zones near the start (or end) of scan for the I-bands and M-bands and for a limited number of aggregation modes for the DNB in order to test requirement compliance. This paper presents results based on a recently re-processed pre-launch test data. Sensor (detector) spatial impulse responses in the scan direction are parameterized in terms of ground dynamic field of view (GDFOV), horizontal spatial resolution (HSR), modulation transfer function (MTF), ensquared energy (EE) and integrated out-of-pixel (IOOP) spatial response. Results are presented for the non-aggregation, 2-sample and 3-sample aggregation zones for the I-bands and M-bands, and for a limited number of aggregation modes for the DNB. On-orbit GDFOVs measured for the 5 I-bands in the scan direction using a straight bridge are also presented. Band-to-band co-registration (BBR) is quantified using the prelaunch measured band-to-band offsets. These offsets may be expressed as fractions of horizontal sampling intervals (HSIs), detector spatial response parameters GDFOV or HSR. BBR bases on HSIs in the non-aggregation, 2-sample and 3-sample aggregation zones are presented. BBR matrices based on scan direction GDFOV and HSR are compared to the BBR matrix based on HSI in the non-aggregation zone. We demonstrate that BBR based on GDFOV is a better representation of footprint overlap and so this definition should be used in BBR requirement specifications. We propose that HSR not be used as the primary image quality indicator, since we
Experimental and theoretical investigation of relative optical band gaps in graphene generations
NASA Astrophysics Data System (ADS)
Bhatnagar, Deepika; Singh, Sukhbir; Yadav, Sriniwas; Kumar, Ashok; Kaur, Inderpreet
2017-01-01
Size and chemical functionalization dependant optical band gaps in graphene family nanomaterials were investigated by experimental and theoretical study using Tauc plot and density functional theory (DFT). We have synthesized graphene oxide through a modified Hummer’s method using graphene nanoplatelets and sequentially graphene quantum dots through hydrothermal reduction. The experimental results indicate that the optical band gap in graphene generations was altered by reducing the size of graphene sheets and attachment of chemical functionalities like epoxy, hydroxyl and carboxyl groups plays a crucial role in varying optical band gaps. It is further confirmed by DFT calculations that the π orbitals were more dominatingly participating in transitions shown by projected density of states and the molecular energy spectrum represented the effect of attached functional groups along with discreteness in energy levels. Theoretical results were found to be in good agreement with experimental results. All of the above different variants of graphene can be used in native or modified form for sensor design and optoelectronic applications.
NS001MS - Landsat-D thematic mapper band aircraft scanner
NASA Technical Reports Server (NTRS)
Richard, R. R.; Merkel, R. F.; Meeks, G. R.
1978-01-01
The thematic mapper is a multispectral scanner which will be launched aboard Landsat-D in the early 1980s. Compared with previous Landsat scanners, this instrument will have an improved spatial resolution (30 m) and new spectral bands. Designated NS001MS, the scanner is designed to duplicate the thematic mapper spectral bands plus two additional bands (1.0 to 1.3 microns and 2.08 to 2.35 microns) in an aircraft scanner for evaluation and investigation prior to design and launch of the final thematic mapper. Applicable specifications used in defining the thematic mapper were retained in the NS001MS design, primarily with respect to spectral bandwidths, noise equivalent reflectance, and noise equivalent difference temperature. The technical design and operational characteristics of the multispectral scanner (with thematic mapper bands) are discussed.
Radiometric Quality of the MODIS Bands at 667 and 678nm
NASA Technical Reports Server (NTRS)
Meister, Gerhard; Franz, Bryan A.
2010-01-01
The MODIS instruments on Terra and Aqua were designed to allow the measurement of chlorophyll fluorescence effects over ocean. The retrieval algorithm is based on the difference between the water-leaving radiances at 667nm and 678nm. The water-leaving radiances at these wavelengths are usually very low relative to the top- of-atmosphere radiances. The high radiometric accuracy needed to retrieve the small fluorescence signal lead to a dual gain design for the 667 and 678nm bands. This paper discusses the benefits obtained from this design choice and provides justification for the use of only one set of gains for global processing of ocean color products. Noise characteristics of the two bands and their related products are compared to other products of bands from 412nm to 2130nm. The impact of polarization on the two bands is discussed. In addition, the impact of stray light on the two bands is compared to other MODIS bands.