Constraints on the Opening Rate of Bands on Europa

NASA Technical Reports Server (NTRS)

Stempel, M. M.; Barr, A. C.; Pappalardo, R. T.

2004-01-01

The opening rates of two bands on Europa, inferred to be sites of spreading of the icy lithosphere, are constrained based on a mid-ocean ridge analog model. Estimates of brittle-ductile transition depth combined with a conductive cooling model limit active band lifetimes to 0.24 - 35 Myr and strain rates of 8.1 x 10(exp -13) - 8.2 x 10(exp -15)/s. These values suggest tensile strengths for ice on Europa of 0.46 - 2.3 MPa, consistent with nonsynchronous rotation as the dominant driving mechanism for band opening.

Graphical Representation and Origin of Piezoresistance Effect in Germanium

NASA Astrophysics Data System (ADS)

Matsuda, K.; Nagaoka, S.; Kanda, Y.

2017-06-01

The longitudinal and transverse piezoresistance coefficients of Ge at room temperature are represented graphically as a function of the crystal directions for orientation (001), (110) and (211) planes. Many valley model of conduction band and stress decoupling decoupling of the degenerate valence band into two bands of prolate and oblate ellipsoidal energy surface are shown to explain origin of the piezoresistance. One this basis, comparison between piezoresistance coefficient and theoretical model is discussed.

How the laser-induced ionization of transparent solids can be suppressed

NASA Astrophysics Data System (ADS)

Gruzdev, Vitaly

2013-12-01

A capability to suppress laser-induced ionization of dielectric crystals in controlled and predictable way can potentially result in substantial improvement of laser damage threshold of optical materials. The traditional models that employ the Keldysh formula do not predict any suppression of the ionization because of the oversimplified description of electronic energy bands underlying the Keldysh formula. To fix this gap, we performed numerical simulations of time evolution of conduction-band electron density for a realistic cosine model of electronic bands characteristic of wide-band-gap cubic crystals. The simulations include contributions from the photo-ionization (evaluated by the Keldysh formula and by the formula for the cosine band of volume-centered cubic crystals) and from the avalanche ionization (evaluated by the Drude model). Maximum conduction-band electron density is evaluated from a single rate equation as a function of peak intensity of femtosecond laser pulses for alkali halide crystals. Results obtained for high-intensity femtosecond laser pulses demonstrate that the ionization can be suppressed by proper choice of laser parameters. In case of the Keldysh formula, the peak electron density exhibits saturation followed by gradual increase. For the cosine band, the electron density increases with irradiance within the low-intensity multiphoton regime and switches to decrease with intensity approaching threshold of the strong singularity of the ionization rate characteristic of the cosine band. Those trends are explained with specific modifications of band structure by electric field of laser pulses.

Spectroscopic study of hafnium silicate alloys prepared by RPECVD: Comparisons between conduction/valence band offset energies and optical band gaps

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 to each other, and more hysteresis was observed with increasing x. Localized Hf 5d* state as a trap site was the reason for hysteresis and its reverse direction with temperature-dependent C-V curves. Temperature-dependent I-V study located Hf 5d* state. For the integration issue, nitridation study was done at the interface and surface, and both. Interfacial nitridaion gave more effective reduction in EOT.

Change in optimum genetic algorithm solution with changing band discontinuities and band widths of electrically conducting copolymers

NASA Astrophysics Data System (ADS)

Kaur, Avneet; Bakhshi, A. K.

2010-04-01

The interest in copolymers stems from the fact that they present interesting electronic and optical properties leading to a variety of technological applications. In order to get a suitable copolymer for a specific application, genetic algorithm (GA) along with negative factor counting (NFC) method has recently been used. In this paper, we study the effect of change in the ratio of conduction band discontinuity to valence band discontinuity (Δ Ec/Δ Ev) on the optimum solution obtained from GA for model binary copolymers. The effect of varying bandwidths on the optimum GA solution is also investigated. The obtained results show that the optimum solution changes with varying parameters like band discontinuity and band width of constituent homopolymers. As the ratio Δ Ec/Δ Ev increases, band gap of optimum solution decreases. With increasing band widths of constituent homopolymers, the optimum solution tends to be dependent on the component with higher band gap.

Ionization equilibrium at the transition from valence-band to acceptor-band migration of holes in boron-doped diamond

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 range from 3 × 1017 to 3 × 1020 cm-3, i.e., up to the Mott transition. The model uses no fitting parameters.

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.

Silicon micromechanical sensors model of piezoresistivity

NASA Astrophysics Data System (ADS)

Lysko, Jan M.

2001-08-01

Application of the piezo resistivity model to estimate valence and conduction bands shifts induced by the mechanical stress is presented. Parameters of the silicon pressure and acceleration sensor, which are under development in the ITE, Warsaw, were used. Geometrical and technological data were used in calculations of the silicon energy band structure and longitudinal coefficient of the piezo resistivity.(pi) L.

Polycrystalline ZrTe 5 Parametrized as a Narrow-Band-Gap Semiconductor for Thermoelectric Performance

DOE PAGES

Miller, Samuel A.; Witting, Ian; Aydemir, Umut; ...

2018-01-24

The transition-metal pentatellurides HfTe 5 and ZrTe 5 have been studied for their exotic transport properties with much debate over the transport mechanism, band gap, and cause of the resistivity behavior, including a large low-temperature resistivity peak. Single crystals grown by the chemical-vapor-transport method have shown an n-p transition of the Seebeck coefficient at the same temperature as a peak in the resistivity. We show that behavior similar to that of single crystals can be observed in iodine-doped polycrystalline samples but that undoped polycrystalline samples exhibit drastically different properties: they are p type over the entire temperature range. Additionally, themore » thermal conductivity for polycrystalline samples is much lower, 1.5 Wm -1 K -1, than previously reported for single crystals. It is found that the polycrystalline ZrTe 5 system can be modeled as a simple semiconductor with conduction and valence bands both contributing to transport, separated by a band gap of 20 meV. This model demonstrates to first order that a simple two-band model can explain the transition from n- to p-type behavior and the cause of the anomalous resistivity peak. Combined with the experimental data, the two-band model shows that carrier concentration variation is responsible for differences in behavior between samples. Using the two-band model, the thermoelectric performance at different doping levels is predicted, finding zT=0.2 and 0.1 for p and n type, respectively, at 300 K, and zT=0.23 and 0.32 for p and n type at 600 K. Given the reasonably high zT that is comparable in magnitude for both n and p type, a thermoelectric device with a single compound used for both legs is feasible.« less

Polycrystalline ZrTe5 Parametrized as a Narrow-Band-Gap Semiconductor for Thermoelectric Performance

NASA Astrophysics Data System (ADS)

Miller, Samuel A.; Witting, Ian; Aydemir, Umut; Peng, Lintao; Rettie, Alexander J. E.; Gorai, Prashun; Chung, Duck Young; Kanatzidis, Mercouri G.; Grayson, Matthew; Stevanović, Vladan; Toberer, Eric S.; Snyder, G. Jeffrey

2018-01-01

The transition-metal pentatellurides HfTe5 and ZrTe5 have been studied for their exotic transport properties with much debate over the transport mechanism, band gap, and cause of the resistivity behavior, including a large low-temperature resistivity peak. Single crystals grown by the chemical-vapor-transport method have shown an n -p transition of the Seebeck coefficient at the same temperature as a peak in the resistivity. We show that behavior similar to that of single crystals can be observed in iodine-doped polycrystalline samples but that undoped polycrystalline samples exhibit drastically different properties: they are p type over the entire temperature range. Additionally, the thermal conductivity for polycrystalline samples is much lower, 1.5 Wm-1 K-1 , than previously reported for single crystals. It is found that the polycrystalline ZrTe5 system can be modeled as a simple semiconductor with conduction and valence bands both contributing to transport, separated by a band gap of 20 meV. This model demonstrates to first order that a simple two-band model can explain the transition from n - to p -type behavior and the cause of the anomalous resistivity peak. Combined with the experimental data, the two-band model shows that carrier concentration variation is responsible for differences in behavior between samples. Using the two-band model, the thermoelectric performance at different doping levels is predicted, finding z T =0.2 and 0.1 for p and n type, respectively, at 300 K, and z T =0.23 and 0.32 for p and n type at 600 K. Given the reasonably high z T that is comparable in magnitude for both n and p type, a thermoelectric device with a single compound used for both legs is feasible.

Polycrystalline ZrTe 5 Parametrized as a Narrow-Band-Gap Semiconductor for Thermoelectric Performance

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

Miller, Samuel A.; Witting, Ian; Aydemir, Umut

The transition-metal pentatellurides HfTe 5 and ZrTe 5 have been studied for their exotic transport properties with much debate over the transport mechanism, band gap, and cause of the resistivity behavior, including a large low-temperature resistivity peak. Single crystals grown by the chemical-vapor-transport method have shown an n-p transition of the Seebeck coefficient at the same temperature as a peak in the resistivity. We show that behavior similar to that of single crystals can be observed in iodine-doped polycrystalline samples but that undoped polycrystalline samples exhibit drastically different properties: they are p type over the entire temperature range. Additionally, themore » thermal conductivity for polycrystalline samples is much lower, 1.5 Wm -1 K -1, than previously reported for single crystals. It is found that the polycrystalline ZrTe 5 system can be modeled as a simple semiconductor with conduction and valence bands both contributing to transport, separated by a band gap of 20 meV. This model demonstrates to first order that a simple two-band model can explain the transition from n- to p-type behavior and the cause of the anomalous resistivity peak. Combined with the experimental data, the two-band model shows that carrier concentration variation is responsible for differences in behavior between samples. Using the two-band model, the thermoelectric performance at different doping levels is predicted, finding zT=0.2 and 0.1 for p and n type, respectively, at 300 K, and zT=0.23 and 0.32 for p and n type at 600 K. Given the reasonably high zT that is comparable in magnitude for both n and p type, a thermoelectric device with a single compound used for both legs is feasible.« less

Visualizing Current Flow at the Mesoscale in Disordered Assemblies of Touching Semiconductor Nanocrystals

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

Chen, Qinyi; Guest, Jeffrey R.; Thimsen, Elijah

2017-07-12

The transport of electrons through assemblies of nanocrystals is important to performance in optoelectronic applications for these materials. Previous work has primarily focused on single nanocrystals or transitions between pairs of nanocrystals. There is a gap in knowledge of how large numbers of nanocrystals in an assembly behave collectively, and how this collective behavior manifests at the mesoscale. In this work, the variable range hopping (VRH) transport of electrons in disordered assemblies of touching, heavily doped ZnO nanocrystals was visualized at the mesoscale as a function of temperature both theoretically, using the model of Skinner, Chen and Shklovskii (SCS), andmore » experimentally, with conductive atomic force microscopy on ultrathin films only a few particle layers thick. Agreement was obtained between the model and experiments, with a few notable exceptions. The SCS model predicts that a single network within the nanocrystal assembly, comprised of sites connected by small resistances, dominates conduction - namely the optimum band from variable range hopping theory. However, our experiments revealed that in addition to the optimum band, there are subnetworks that appear as additional peaks in the resistance histogram of conductive atomic force microscopy (CAFM) maps. Furthermore, the connections of these subnetworks to the optimum band change in time, such that some subnetworks become connected to the optimum band while others become disconnected and isolated from the optimum band; this observation appears to be an experimental manifestation of the ‘blinking’ phenomenon in our images of mesoscale transport.« less

Quasi one-dimensional band dispersion and surface metallization in long-range ordered polymeric wires

DOE PAGES

Vasseur, Guillaume; Fagot-Revurat, Yannick; Sicot, Muriel; ...

2016-01-04

We study the electronic structure of an ordered array of poly(para-phenylene) chains produced by surface-catalyzed dehalogenative polymerization of 1,4-dibromobenzene on copper (110). The quantization of unoccupied molecular states is measured as a function of oligomer length by scanning tunnelling spectroscopy, with Fermi level crossings observed for chains longer than ten phenyl rings. Angle-resolved photoelectron spectroscopy reveals a quasi-one-dimensional valence band as well as a direct gap of 1.15 eV, as the conduction band is partially filled through adsorption on the surface. Tight-binding modelling and ab initio density functional theory calculations lead to a full description of the organic band-structure, includingmore » the k-dispersion, the gap size and electron charge transfer mechanisms, highlighting a strong substrate-molecule interaction that drives the system into a metallic behaviour. In summary, we have fully characterized the band structure of a carbon-based conducting wire. This model system may be considered as a fingerprint of -conjugation of surface organic frameworks.« less

The Fowler-Nordheim behavior and mechanism of photo-sensitive field from SnS{sub 2} nanosheets

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

Suryawanshi, Sachin R.; Chaudhari, Nilima S.; Warule, Sambhaji S.

2015-06-24

Here in, we report photo-sensitive field emission measurements of SnS{sub 2} nanosheets at base pressure of ∼1×10{sup −8} mbar are reported. The nonlinear Fowler-Nordheim (F-N) plot is elucidate according to a (F-N) model of calculation based on shift in a saturation of conduction band current density after light illumination and prevalence of valence band current density at high electric field values. The model of calculation suggests that the slope variation before and after visible light illumination of the F-N plot, in the high-field and low-field regions, does not depend on the magnitude of saturation but also depend on charge carriermore » (electron) concentration get increased in conduction band. The F-N model of calculation is important for the fundamental understanding of the photo-sensitive field emission mechanism of semiconducting SnS{sub 2}. The replicate F-N plots exhibit similar features to those observed experimentally. The model calculation suggests that the nonlinearity of the F-N plot is a characteristic of the photo-enhanced energy band structure of the photo-sensitive semiconductor material.« less

Conduction Band-Edge Non-Parabolicity Effects on Impurity States in (In,Ga)N/GaN Cylindrical QWWs

NASA Astrophysics Data System (ADS)

Haddou El, Ghazi; Anouar, Jorio

2014-02-01

In this paper, the conduction band-edge non-parabolicity (NP) and the circular cross-section radius effects on hydrogenic shallow-donor impurity ground-state binding energy in zinc-blende (ZB) InGaN/GaN cylindrical QWWs are reported. The finite potential barrier between (In,Ga)N well and GaN environment is considered. Two models of the conduction band-edge non-parabolicity are taking into account. The variational approach is used within the framework of single band effective-mass approximation with one-parametric 1S-hydrogenic trial wave-function. It is found that NP effect is more pronounced in the wire of radius equal to effective Bohr radius than in large and narrow wires. Moreover, the binding energy peak shifts to narrow wire under NP effect. A good agreement is shown compared to the findings results.

Band nesting, massive Dirac fermions, and valley Landé and Zeeman effects in transition metal dichalcogenides: A tight-binding model

NASA Astrophysics Data System (ADS)

Bieniek, Maciej; Korkusiński, Marek; Szulakowska, Ludmiła; Potasz, Paweł; Ozfidan, Isil; Hawrylak, Paweł

2018-02-01

We present here the minimal tight-binding model for a single layer of transition metal dichalcogenides (TMDCs) MX 2(M , metal; X , chalcogen) which illuminates the physics and captures band nesting, massive Dirac fermions, and valley Landé and Zeeman magnetic field effects. TMDCs share the hexagonal lattice with graphene but their electronic bands require much more complex atomic orbitals. Using symmetry arguments, a minimal basis consisting of three metal d orbitals and three chalcogen dimer p orbitals is constructed. The tunneling matrix elements between nearest-neighbor metal and chalcogen orbitals are explicitly derived at K ,-K , and Γ points of the Brillouin zone. The nearest-neighbor tunneling matrix elements connect specific metal and sulfur orbitals yielding an effective 6 ×6 Hamiltonian giving correct composition of metal and chalcogen orbitals but not the direct gap at K points. The direct gap at K , correct masses, and conduction band minima at Q points responsible for band nesting are obtained by inclusion of next-neighbor Mo-Mo tunneling. The parameters of the next-nearest-neighbor model are successfully fitted to MX 2(M =Mo ; X =S ) density functional ab initio calculations of the highest valence and lowest conduction band dispersion along K -Γ line in the Brillouin zone. The effective two-band massive Dirac Hamiltonian for MoS2, Landé g factors, and valley Zeeman splitting are obtained.

Opposing effects of stacking faults and antisite domain boundaries on the conduction band edge in kesterite quaternary semiconductors

NASA Astrophysics Data System (ADS)

Park, Ji-Sang; Kim, Sunghyun; Walsh, Aron

2018-01-01

We investigated stability and the electronic structure of extended defects including antisite domain boundaries and stacking faults in the kesterite-structured semiconductors, Cu2ZnSnS4 (CZTS) and Cu2ZnSnSe4 (CZTSe). Our hybrid density functional theory calculations show that stacking faults in CZTS and CZTSe induce a higher conduction band edge than the bulk counterparts, and thus the stacking faults act as electron barriers. Antisite domain boundaries, however, accumulate electrons as the conduction band edge is reduced in energy, having an opposite role. An Ising model was constructed to account for the stability of stacking faults, which shows the nearest-neighbor interaction is stronger in the case of the selenide.

AG Channel Measurement and Modeling Results for Over-Sea Conditions

NASA Technical Reports Server (NTRS)

Matolak, David; Sun, Rouyu

2014-01-01

This report describes results from flight tests conducted in an over-sea environment, for the purpose of characterizing the air-to-ground (AG) channel, for future unmanned aircraft system (UAS) communication system analysis and design. These results are for the first of a set of several flight tests conducted in different ground site (GS) environments. An ultimate aim of all these tests is the development of models for the AG channel that can be used in communication system evaluation. In this report we provide measured results for propagation path loss, root-mean square delay spread (RMS-DS), and the correlation coefficient of the primary received signal components on the four antennas (two antennas for C-band, two for L-band). For path loss, the curved-earth two-ray model provides a reasonable fit to the measured data, altered by several dB at the shortest link distances by aircraft antenna pattern effects. This two-ray model also accounts for the majority of measured RMS-DS results of a few tens of nanoseconds, except for the occasional intermittent reflections from surface objects. These intermittent reflections yield RMS-DS values up to several hundred nanoseconds. For portions of the flight path that were over a harbor area highly populated with boats, the channel was found to be more "continuously dispersive," with RMS-DS reaching approximately 250 ns. A separate model will be developed for this over-harbor setting. The correlation coefficient results are still undergoing analysis; preliminary observations are that correlation between signals on the same-band antennas is generally large (>0.6) for the C-band straight flight paths, whereas for the L-band signals and for the oval-shaped flight paths the correlation is generally small (below 0.4). Inter-band correlations are typically very small, and are well modeled as zero-mean Gaussian in distribution, with a standard deviation less than 0.2. Hence the over-sea channel effects in the two bands can be considered uncorrelated, which will allow for good diversity gains in dual-band systems. We describe initial modeling approaches for the over-sea channel; complete models for this and the over-harbor setting will appear in a subsequent report.

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.

Ionization equilibrium at the transition from valence-band to acceptor-band migration of holes in boron-doped diamond

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-type diamond with boron atom concentrations in the range from 3 × 10{sup 17} to 3 × 10{sup 20 }cm{sup −3}, i.e., up to the Mott transition. The model uses no fitting parameters.« less

Master equation for open two-band systems and its applications to Hall conductance

NASA Astrophysics Data System (ADS)

Shen, H. Z.; Zhang, S. S.; Dai, C. M.; Yi, X. X.

2018-02-01

Hall conductivity in the presence of a dephasing environment has recently been investigated with a dissipative term introduced phenomenologically. In this paper, we study the dissipative topological insulator (TI) and its topological transition in the presence of quantized electromagnetic environments. A Lindblad-type equation is derived to determine the dynamics of a two-band system. When the two-band model describes TIs, the environment may be the fluctuations of radiation that surround the TIs. We find the dependence of decay rates in the master equation on Bloch vectors in the two-band system, which leads to a mixing of the band occupations. Hence the environment-induced current is in general not perfectly topological in the presence of coupling to the environment, although deviations are small in the weak limit. As an illustration, we apply the Bloch-vector-dependent master equation to TIs and calculate the Hall conductance of tight-binding electrons in a two-dimensional lattice. The influence of environments on the Hall conductance is presented and discussed. The calculations show that the phase transition points of the TIs are robust against the quantized electromagnetic environment. The results might bridge the gap between quantum optics and topological photonic materials.

Observation of spontaneous spin-splitting in the band structure of an n-type zinc-blende ferromagnetic semiconductor

PubMed Central

Anh, Le Duc; Hai, Pham Nam; Tanaka, Masaaki

2016-01-01

Large spin-splitting in the conduction band and valence band of ferromagnetic semiconductors, predicted by the influential mean-field Zener model and assumed in many spintronic device proposals, has never been observed in the mainstream p-type Mn-doped ferromagnetic semiconductors. Here, using tunnelling spectroscopy in Esaki-diode structures, we report the observation of such a large spontaneous spin-splitting energy (31.7–50 meV) in the conduction band bottom of n-type ferromagnetic semiconductor (In,Fe)As, which is surprising considering the very weak s-d exchange interaction reported in several zinc-blende type semiconductors. The mean-field Zener model also fails to explain consistently the ferromagnetism and the spin-splitting energy of (In,Fe)As, because we found that the Curie temperature values calculated using the observed spin-splitting energies are much lower than the experimental ones by a factor of 400. These results urge the need for a more sophisticated theory of ferromagnetic semiconductors. PMID:27991502

Negative differential velocity in ultradilute GaAs1-xNx alloys

NASA Astrophysics Data System (ADS)

Vogiatzis, N.; Rorison, J. M.

2011-04-01

We present theoretical results on steady state characteristics in bulk GaAs1-xNx alloys (x ≤ 0.2) using the single electron Monte-Carlo method. Two approaches have been used; the first assumes a GaAs band with a strong nitrogen scattering resonance and the second uses the band anti-crossing model, in which the localized N level interacts with the GaAs band strongly perturbing the conduction band. In the first model we observe two negative differential velocity peaks, the lower one associated with nitrogen scattering while the higher one with polar optical phonon emission accounting for the nonparabolicity effect. In the second model one negative differential velocity peak is observed associated with polar optical phonon emission. Good agreement with experimental low field mobility is obtained from the first model. We also comment on the results from both Models when the intervalley Г → L transfer is accounted for.

Strain effects on the optical conductivity of gapped graphene in the presence of Holstein phonons beyond the Dirac cone approximation

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

Yarmohammadi, Mohsen, E-mail: m.yarmohammadi69@gmail.com

2016-08-15

In this paper we study the optical conductivity and density of states (DOS) of doped gapped graphene beyond the Dirac cone approximation in the presence of electron-phonon (e-ph) interaction under strain, i.e., within the framework of a full π-band Holstein model, by using the Kubo linear response formalism that is established upon the retarded self-energy. A new peak in the optical conductivity for a large enough e-ph interaction strength is found which is associated to transitions between the midgap states and the Van Hove singularities of the main π-band. Optical conductivity decreases with strain and at large strains, the systemmore » has a zero optical conductivity at low energies due to optically inter-band excitations through the limit of zero doping. As a result, the Drude weight changes with e-ph interaction, temperature and strain. Consequently, DOS and optical conductivity remains stable with temperature at low e-ph coupling strengths.« less

Optimal Bandwidth for High Efficiency Thermoelectrics

NASA Astrophysics Data System (ADS)

Zhou, Jun; Yang, Ronggui; Chen, Gang; Dresselhaus, Mildred S.

2011-11-01

The thermoelectric figure of merit (ZT) in narrow conduction bands of different material dimensionalities is investigated for different carrier scattering models. When the bandwidth is zero, the transport distribution function (TDF) is finite, not infinite as previously speculated by Mahan and Sofo [Proc. Natl. Acad. Sci. U.S.A. 93, 7436 (1996)PNASA60027-842410.1073/pnas.93.15.7436], even though the carrier density of states goes to infinity. Such a finite TDF results in a zero electrical conductivity and thus a zero ZT. We point out that the optimal ZT cannot be found in an extremely narrow conduction band. The existence of an optimal bandwidth for a maximal ZT depends strongly on the scattering models and the dimensionality of the material. A nonzero optimal bandwidth for maximizing ZT also depends on the lattice thermal conductivity. A larger maximum ZT can be obtained for materials with a smaller lattice thermal conductivity.

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

Ma, Lei; Sun, Tao; Cai, Hua

Surface plasmon (SP)-enhanced ultraviolet and visible photocatalytic activities of SrTiO{sub 3} (STO) are observed after incorporating Ag nanoparticles (Ag-NPs) on STO surfaces. A two-step excitation model is proposed to explain the SP-enhanced photocatalysis. The point of the model is that an electron at the valence band of STO is first excited onto the Fermi level of Ag-NP by the SP field generated on the Ag-NP, and then injected into the conduction band of STO from the SP band, leaving a hole at the valence band of STO. A full redox catalytic reaction at the surface of STO is then available.more » For Ag-NP incorporated STO, up-converted and inter-band photoluminescence emissions of STO are observed, and nonlinear evolutions of photocatalytic activity with illumination light powers are found. Furthermore, near infrared photocatalysis is detected. These results support the proposed model.« less

Modeling of laser-induced ionization of solid dielectrics for ablation simulations: role of effective mass

NASA Astrophysics Data System (ADS)

Gruzdev, Vitaly

2010-11-01

Modeling of laser-induced ionization and heating of conduction-band electrons by laser radiation frequently serves as a basis for simulations supporting experimental studies of laser-induced ablation and damage of solid dielectrics. Together with band gap and electron-particle collision rate, effective electron mass is one of material parameters employed for the ionization modeling. Exact value of the effective mass is not known for many materials frequently utilized in experiments, e.g., fused silica and glasses. Because of that reason, value of the effective mass is arbitrary varied around "reasonable values" for the ionization modeling. In fact, it is utilized as a fitting parameter to fit experimental data on dependence of ablation or damage threshold on laser parameters. In this connection, we study how strong is the influence of variations of the effective mass on the value of conduction-band electron density. We consider influence of the effective mass on the photo-ionization rate and rate of impact ionization. In particular, it is shown that the photo-ionization rate can vary by 2-4 orders of magnitude with variation of effective mass by 50%. Impact ionization shows a much weaker dependence on effective mass, but it significantly enhances the variations of seed-electron density produced by the photo-ionization. Utilizing those results, we demonstrate that variation of effective mass by 50% produces variations of conduction-band electron density by 6 orders of magnitude. In this connection, we discuss the general issues of the current models of laser-induced ionization.

Effect of conduction band non-parabolicity on the optical gain of quantum cascade lasers based on the effective two-band finite difference method

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.

Interacting quasi-band model for electronic states in compound semiconductor alloys: Zincblende structure

NASA Astrophysics Data System (ADS)

Shinozuka, Yuzo; Oda, Masato

2015-09-01

The interacting quasi-band model proposed for electronic states in simple alloys is extended for compound semiconductor alloys with general lattice structures containing several atoms per unit cell. Using a tight-binding model, a variational electronic wave function for quasi-Bloch states yields a non-Hermitian Hamiltonian matrix characterized by matrix elements of constituent crystals and concentration of constituents. Solving secular equations for each k-state yields the alloy’s energy spectrum for any type of randomness and arbitrary concentration. The theory is used to address III-V (II-VI) alloys with a zincblende lattice with crystal band structures well represented by the sp3s* model. Using the resulting 15 × 15 matrix, the concentration dependence of valence and conduction bands is calculated in a unified scheme for typical alloys: Al1-xGaxAs, GaAs1-xPx, and GaSb1-xPx. Results agree well with experiments and are discussed with respect to the concentration dependence, direct-indirect gap transition, and band-gap-bowing origin.

E+ Transition in GaAs1-xNx and GaAs1-xBix Due to Isoelectronic-Impurity-Induced Perturbation of the Conduction Band

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

Fluegel, B.; Mascarenhas, A.; Ptak, A. J.

2007-01-01

An above-band-gap transition E{sub +} is experimentally observed in the dilute GaAs{sub 1-x}Bi{sub x} alloy. Precise measurements at very low dilutions are made of the above-band-gap transition E{sub +} that is observed in GaAs{sub 1-x}N{sub x}, making it possible to compare the behavior of the different isoelectronic traps Bi and N in the common host GaAs with respect to their perturbation to the host electronic structure. We suggest that the origin of the E{sub +} level observed in GaAs is not the isolated isoelectronic impurity level N{sub x}, as is presumed in the band-anticrossing model, but rather the isoelectronic-impurity-induced perturbationmore » of the conduction band L{sub 6}{sup c}.« less

Enhanced emission and photoconductivity due to photo-induced charge transfer from Au nanoislands to ZnO

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

Wu, Shang-Hsuan; Chan, Ching-Hsiang; Liang, Ching-Tarng

2016-01-25

We report systematic studies based on photoluminescence, Hall, and photoconductivity measurements together with theoretical modeling in order to identify mechanisms for the photo-induced charge transfer effects in ZnO thin film incorporated with the Au nano-islands (AuNIs). Significant enhancement of near band edge emission and improvement in conductivity of ZnO/AuNIs samples after illumination are observed, which are attributed to the photo-induced hot electrons in Au which are then transferred into the conduction band of ZnO as long as the excitation energy is higher than the offset between the ZnO conduction-band minimum and Au Fermi level. Our experimental results are consistent withmore » the general features predicted by first principles calculations.« less

Band Offsets at the Interface between Crystalline and Amorphous Silicon from First Principles

NASA Astrophysics Data System (ADS)

Jarolimek, K.; Hazrati, E.; de Groot, R. A.; de Wijs, G. A.

2017-07-01

The band offsets between crystalline and hydrogenated amorphous silicon (a -Si ∶H ) are key parameters governing the charge transport in modern silicon heterojunction solar cells. They are an important input for macroscopic simulators that are used to further optimize the solar cell. Past experimental studies, using x-ray photoelectron spectroscopy (XPS) and capacitance-voltage measurements, have yielded conflicting results on the band offset. Here, we present a computational study on the band offsets. It is based on atomistic models and density-functional theory (DFT). The amorphous part of the interface is obtained by relatively long DFT first-principles molecular-dynamics runs at an elevated temperature on 30 statistically independent samples. In order to obtain a realistic conduction-band position the electronic structure of the interface is calculated with a hybrid functional. We find a slight asymmetry in the band offsets, where the offset in the valence band (0.29 eV) is larger than in the conduction band (0.17 eV). Our results are in agreement with the latest XPS measurements that report a valence-band offset of 0.3 eV [M. Liebhaber et al., Appl. Phys. Lett. 106, 031601 (2015), 10.1063/1.4906195].

FEM investigation of concrete silos damaged and reinforced externally with CFRP

NASA Astrophysics Data System (ADS)

Kermiche, Sihem; Boussaid, Ouzine; Redjel, Bachir; Amirat, Abdelaziz

2018-03-01

The present work investigates the reinforcement of concrete wheat-grain silos under initial damage. The reinforcement is achieved by mounting bands of carbon fiber reinforced polymer (CFRP) on the external walls of the silo. 4 modes of reinforcement are adapted according to the width of the band, the gap between two bands, the height of reinforcement and the number of layers achieved through banding. Analytical analyses were conducted using the Reimbert method and the Eurocode 1 Part 4 method, as well as numerically through the finite element software Abaqus. Results show that the normal pressure reaches a peak value when approaching the silo hopper. Initial damage in a concrete silo was first determined using a 3D geometrical model, while the damage analyses were conducted to optimize the CFRP reinforcement by mounting 2 CFRP bands close together above and below the cylinder-hopper joint. Increasing the number of banding layers could produce better performance as the damage was slightly decreased from 0.161 to 0.152 for 1 and 4 layers respectively.

Floquet band structure of a semi-Dirac system

NASA Astrophysics Data System (ADS)

Chen, Qi; Du, Liang; Fiete, Gregory A.

2018-01-01

In this work we use Floquet-Bloch theory to study the influence of circularly and linearly polarized light on two-dimensional band structures with semi-Dirac band touching points, taking the anisotropic nearest neighbor hopping model on the honeycomb lattice as an example. We find that circularly polarized light opens a gap and induces a band inversion to create a finite Chern number in the two-band model. By contrast, linearly polarized light can either open up a gap (polarized in the quadratically dispersing direction) or split the semi-Dirac band touching point into two Dirac points (polarized in the linearly dispersing direction) by an amount that depends on the amplitude of the light. Motivated by recent pump-probe experiments, we investigated the nonequilibrium spectral properties and momentum-dependent spin texture of our model in the Floquet state following a quench in the absence of phonons, and in the presence of phonon dissipation that leads to a steady state independently of the pump protocol. Finally, we make connections to optical measurements by computing the frequency dependence of the longitudinal and transverse optical conductivity for this two-band model. We analyze the various contributions from interband transitions and different Floquet modes. Our results suggest strategies for optically controlling band structures and experimentally measuring topological Floquet systems.

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

NASA Astrophysics Data System (ADS)

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

2015-08-01

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

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

NASA Astrophysics Data System (ADS)

Kishi, Ayaka; Oda, Masato; Shinozuka, Yuzo

2016-05-01

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

Mapping the Coulomb Environment in Interference-Quenched Ballistic Nanowires.

PubMed

Gutstein, D; Lynall, D; Nair, S V; Savelyev, I; Blumin, M; Ercolani, D; Ruda, H E

2018-01-10

The conductance of semiconductor nanowires is strongly dependent on their electrostatic history because of the overwhelming influence of charged surface and interface states on electron confinement and scattering. We show that InAs nanowire field-effect transistor devices can be conditioned to suppress resonances that obscure quantized conduction thereby revealing as many as six sub-bands in the conductance spectra as the Fermi-level is swept across the sub-band energies. The energy level spectra extracted from conductance, coupled with detailed modeling shows the significance of the interface state charge distribution revealing the Coulomb landscape of the nanowire device. Inclusion of self-consistent Coulomb potentials, the measured geometrical shape of the nanowire, the gate geometry and nonparabolicity of the conduction band provide a quantitative and accurate description of the confinement potential and resulting energy level structure. Surfaces of the nanowire terminated by HfO 2 are shown to have their interface donor density reduced by a factor of 30 signifying the passivating role played by HfO 2 .

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

USGS Publications Warehouse

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

2005-01-01

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

Electric Conduction in Semiconductors: A Pedagogical Model Based on the Monte Carlo Method

ERIC Educational Resources Information Center

Capizzo, M. C.; Sperandeo-Mineo, R. M.; Zarcone, M.

2008-01-01

We present a pedagogic approach aimed at modelling electric conduction in semiconductors in order to describe and explain some macroscopic properties, such as the characteristic behaviour of resistance as a function of temperature. A simple model of the band structure is adopted for the generation of electron-hole pairs as well as for the carrier…

Band Gaps for Elastic Wave Propagation in a Periodic Composite Beam Structure Incorporating Microstructure and Surface Energy Effects

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

Band Gaps for Elastic Wave Propagation in a Periodic Composite Beam Structure Incorporating Microstructure and Surface Energy Effects

DOE PAGES

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

Chronic nerve compression alters Schwann cell myelin architecture in a murine model

PubMed Central

Gupta, Ranjan; Nassiri, Nima; Hazel, Antony; Bathen, Mary; Mozaffar, Tahseen

2011-01-01

Introduction Myelinating Schwann cells compartmentalize their outermost layer to form actin-rich channels known as Cajal bands. Here, we investigate changes in Schwann cell architecture and cytoplasmic morphology in a novel mouse model of carpal tunnel syndrome. Methods Chronic nerve compression (CNC) injury was created in wild-type and slow-Wallerian degeneration (WldS) mice. Over 12 weeks, nerves were electrodiagnostically assessed, and Schwann cell morphology was thoroughly evaluated. Results A decline in nerve conduction velocity and increase in g-ratio is observed without early axonal damage. Schwann cells display shortened internodal lengths and severely disrupted Cajal bands. Quite surprisingly, the latter is reconstituted without improvements to nerve conduction velocity. Discussion Chronic entrapment injuries like carpal tunnel syndrome are primarily mediated by the Schwann cell response, wherein decreases in internodal length and myelin thickness disrupt the efficiency of impulse propagation. Restitution of Cajal bands is not sufficient for remyelination post-CNC injury. PMID:22246880

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.

Transition temperature from band to hopping direct current conduction in crystalline semiconductors with hydrogen-like impurities: Heat versus Coulomb attraction

NASA Astrophysics Data System (ADS)

Poklonski, N. A.; Vyrko, S. A.; Poklonskaya, O. N.; Zabrodskii, A. G.

2011-12-01

For nondegenerate bulk semiconductors, we have used the virial theorem to derive an expression for the temperature Tj of the transition from the regime of "free" motion of electrons in the c-band (or holes in the υ-band) to their hopping motion between donors (or acceptors). Distribution of impurities over the crystal was assumed to be of the Poisson type, while distribution of their energy levels was assumed to be of the Gaussian type. Our conception of the virial theorem implementation is that the transition from the band-like conduction to hopping conduction occurs when the average kinetic energy of an electron in the c-band (hole in the υ-band) is equal to the half of the absolute value of the average energy of the Coulomb interaction of an electron (hole) with the nearest neighbor ionized donor (acceptor). Calculations of Tj according to our model agree with experimental data for crystals of Ge, Si, diamond, etc. up to the concentrations of a hydrogen-like impurity, at which the phase insulator-metal transition (Mott transition) occurs. Under the temperature Th ≈ Tj /3, when the nearest neighbor hopping conduction via impurity atoms dominates, we obtained expressions for the electrostatic field screening length Λh in the Debye-Hückel approximation, taking into account a nonzero width of the impurity energy band. It is shown that the measurements of quasistatic capacitance of the semiconductor in a metal-insulator-semiconductor structure in the regime of the flat bands at the temperature Th allow to determine the concentration of doping impurity or its compensation ratio by knowing Λh.

Role of electrostatic fluctuations in doped semiconductors upon the transition from band to hopping conduction (by the example of p-Ge:Ga)

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

Poklonski, N. A., E-mail: poklonski@bsu.by; Vyrko, S. A.; Poklonskaya, O. N.

The electrostatic model of ionization equilibrium between hydrogen-like acceptors and v-band holes in crystalline covalent p-type semiconductors is developed. The range of applicability of the model is the entire insulator side of the insulator–metal (Mott) phase transition. The density of the spatial distribution of acceptor- and donor-impurity atoms and holes over a crystal was assumed to be Poissonian and the fluctuations of their electrostatic potential energy, to be Gaussian. The model takes into account the effect of a decrease in the energy of affinity of an ionized acceptor to a v-band hole due to Debye–Hückel ion screening by both freemore » v-band holes and localized holes hopping over charge states (0) and (–1) of acceptors in the acceptor band. All donors are in charge state (+1) and are not directly involved in the screening, but ensure the total electroneutrality of a sample. In the quasiclassical approximation, analytical expressions for the root-mean-square fluctuation of the v-band hole energy W{sub p} and effective acceptor bandwidth W{sub a} are obtained. In calculating W{sub a}, only fluctuations caused by the Coulomb interaction between two nearest point charges (impurity ions and holes) are taken into account. It is shown that W{sub p} is lower than W{sub a}, since electrostatic fluctuations do not manifest themselves on scales smaller than the average de Broglie wavelength of a free hole. The delocalization threshold for v-band holes is determined as the sum of the diffusive-percolation threshold and exchange energy of holes. The concentration of free v-band holes is calculated at the temperature T{sub j} of the transition from dc band conductivity to conductivity implemented via hopping over acceptor states, which is determined from the virial theorem. The dependence of the differential energy of the thermal ionization of acceptors at the temperature 3T{sub j}/2 on their concentration N and degree of compensation K (the ratio between the donor and acceptor concentrations) is determined. Good quantitative agreement between the results of the calculation and data on the series of neutron transmutation doped p-Ge samples is obtained up to the Mott transition without using any fitting parameters.« less

The effect of density-of-state tails on band-to-band tunneling: Theory and application to tunnel field effect transistors

NASA Astrophysics Data System (ADS)

Sant, S.; Schenk, A.

2017-10-01

It is demonstrated how band tail states in the semiconductor influence the performance of a Tunnel Field Effect Transistor (TFET). As a consequence of the smoothened density of states (DOS) around the band edges, the energetic overlap of conduction and valence band states occurs gradually at the onset of band-to-band tunneling (BTBT), thus degrading the sub-threshold swing (SS) of the TFET. The effect of the band tail states on the current-voltage characteristics is modelled quantum-mechanically based on the idea of zero-phonon trap-assisted tunneling between band and tail states. The latter are assumed to arise from a 3-dimensional pseudo-delta potential proposed by Vinogradov [1]. This model potential allows the derivation of analytical expressions for the generation rate covering the whole range from very strong to very weak localization of the tail states. Comparison with direct BTBT in the one-band effective mass approximation reveals the essential features of tail-to-band tunneling. Furthermore, an analytical solution for the problem of tunneling from continuum states of the disturbed DOS to states in the opposite band is found, and the differences to direct BTBT are worked out. Based on the analytical expressions, a semi-classical model is implemented in a commercial device simulator which involves numerical integration along the tunnel paths. The impact of the tail states on the device performance is analyzed for a nanowire Gate-All-Around TFET. The simulations show that tail states notably impact the transfer characteristics of a TFET. It is found that exponentially decaying band tails result in a stronger degradation of the SS than tail states with a Gaussian decay of their density. The developed model allows more realistic simulations of TFETs including their non-idealities.

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.

Electronic band structures and optical properties of type-II superlattice photodetectors with interfacial effect.

PubMed

Qiao, Peng-Fei; Mou, Shin; Chuang, Shun Lien

2012-01-30

The electronic band structures and optical properties of type-II superlattice (T2SL) photodetectors in the mid-infrared (IR) range are investigated. We formulate a rigorous band structure model using the 8-band k · p method to include the conduction and valence band mixing. After solving the 8 × 8 Hamiltonian and deriving explicitly the new momentum matrix elements in terms of envelope functions, optical transition rates are obtained through the Fermi's golden rule under various doping and injection conditions. Optical measurements on T2SL photodetectors are compared with our model and show good agreement. Our modeling results of quantum structures connect directly to the device-level design and simulation. The predicted doping effect is readily applicable to the optimization of photodetectors. We further include interfacial (IF) layers to study the significance of their effect. Optical properties of T2SLs are expected to have a large tunable range by controlling the thickness and material composition of the IF layers. Our model provides an efficient tool for the designs of novel photodetectors.

Electronic and transport properties of BCN alloy nanoribbons

NASA Astrophysics Data System (ADS)

Darvishi Gilan, Mahdi; Chegel, Raad

2018-03-01

The dependence of the carbon (C) concentration on the electronic and transport properties of boron carbonitride (BCN) alloy nanoribbons have been investigated using surface Green's functions technique and random Hamiltonian model by considering random hopping parameters including first and second nearest neighbors. Our calculations indicate that substituting boron (nitrogen) sites with carbon atoms induces a new band close to conduction (valence) band and carbon atoms behave like a donor (acceptor) dopants. Also, while both nitrogen and boron sites are substituted randomly by carbon atoms, new bands are induced close to both valence and conduction bands. The band gap decreases with C substituting and the number of charge carriers increases in low bias voltage. Far from Fermi level in the higher range of energy, transmission coefficient and current of the system are reduced by increasing the C concentration. Based on our results, tuning the electronic and transport properties of BCN alloy nanoribbons by random carbon dopants could be applicable to design nanoelectronics devices.

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

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

Li, Wei; Key Laboratory for the Physics and Chemistry of Nanodevices and Department of Electronics, Peking University, Beijing 100871; Zhang, Qin

2014-11-24

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

Low-temperature charged impurity scattering-limited conductivity in relatively high doped bilayer graphene

NASA Astrophysics Data System (ADS)

Hu, Bo

2015-08-01

Based on semiclassical Boltzamnn transport theory in random phase approximation, we develop a theoretical model to investigate low-temperature carrier transport properties in relatively high doped bilayer graphene. In the presence of both electron-hole puddles and band gap induced by charged impurities, we calculate low-temperature charged impurity scattering-limited conductivity in relatively high doped bilayer graphene. Our calculated conductivity results are in excellent agreement with published experimental data in all compensated gate voltage regime of study by using potential fluctuation parameter as only one free fitting parameter, indicating that both electron-hole puddles and band gap induced by charged impurities play an important role in carrier transport. More importantly, we also find that the conductivity not only depends strongly on the total charged impurity density, but also on the top layer charged impurity density, which is different from that obtained by neglecting the opening of band gap, especially for bilayer graphene with high top layer charged impurity density.

Interaction effect in the Kondo energy of the periodic Anderson-Hubbard model

NASA Astrophysics Data System (ADS)

Itai, K.; Fazekas, P.

1996-07-01

We extend the periodic Anderson model by switching on a Hubbard U for the conduction band. The nearly integral valent limit of the Anderson-Hubbard model is studied with the Gutzwiller variational method. The lattice Kondo energy shows U dependence both in the prefactor and the exponent. Switching on U reduces the Kondo scale, which can be understood to result from the blocking of hybridization. At half filling, we find a Brinkman-Rice-type transition from a Kondo insulator to a Mott insulator. Our findings should be relevant for a number of correlated two-band models of recent interest.

Switching of the electrical conductivity of plasticized PVC films under uniaxial pressure

NASA Astrophysics Data System (ADS)

Vlasov, D. V.; Apresyan, L. A.; Vlasova, T. V.; Kryshtob, V. I.

2011-11-01

The jumplike switching of the electrical conductivity in wide-band-gap polymer (antistatic plasticized polyvinylchloride) films under uniaxial pressure is studied. In various plasticized PVC materials, the uniaxial pressure inducing a conductivity jump by four orders of magnitude or higher changes from several to several hundreds of bars, and this effect is retained at a film thickness of several hundred microns, which is two orders of magnitude larger than the critical film thicknesses known for other wide-band-gap polymers. In addition to the earlier interpretation of the conductivity anomalies in plasticized PVC, we proposed a phenomenological electron-molecular dynamic nanotrap model, in which local charge transfer is provided by mobile molecule segments in a plasticized polymer.

Effects of an additional conduction band on the singlet-antiferromagnet competition in the periodic Anderson model

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

Effects of an additional conduction band on the singlet-antiferromagnet competition in the periodic Anderson model

DOE PAGES

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

Structure and properties of a model conductive filament/host oxide interface in HfO2-based ReRAM

NASA Astrophysics Data System (ADS)

Padilha, A. C. M.; McKenna, K. P.

2018-04-01

Resistive random-access memory (ReRAM) is a promising class of nonvolatile memory capable of storing information via its resistance state. In the case of hafnium oxide-based devices, experimental evidence shows that a conductive oxygen-deficient filament is formed and broken inside of the device by oxygen migration, leading to switching of its resistance state. However, little is known about the nature of this conductive phase, its interface with the host oxide, or the associated interdiffusion of oxygen, presenting a challenge to understanding the switching mechanism and device properties. To address these problems, we present atomic-scale first-principles simulations of a prototypical conductive phase (HfO), the electronic properties of its interface with HfO2, as well as stability with respect to oxygen diffusion across the interface. We show that the conduction-band offset between HfO and HfO2 is 1.3 eV, smaller than typical electrode-HfO2 band offsets, suggesting that positive charging and band bending should occur at the conductive filament-HfO2 interface. We also show that transfer of oxygen across the interface, from HfO2 into HfO, costs around 1.2 eV per atom and leads to a gradual opening of the HfO band gap, and hence disruption of the electrical conductivity. These results provide invaluable insights into understanding the switching mechanism for HfO2-based ReRAM.

Theory of intermediate- and high-field mobility in dilute nitride alloys

NASA Astrophysics Data System (ADS)

Seifikar, Masoud; O'Reilly, Eoin P.; Fahy, Stephen

2011-10-01

We have solved the steady-state Boltzmann transport equation in bulk GaAs1-xNx. Two different models of the conduction band structure have been studied to investigate the behavior of electrons with increasing electric field in these alloys: (1) carriers in parabolic Γ and L bands are scattered by resonant nitrogen substitutional defect states, polar optic and acoustic phonons, and intervalley optical phonons; (2) carriers, constrained in the lower band of the band-anticrossing (BAC) model, are scattered by phonons and by nitrogen states. We consider scattering both by isolated N atoms and also by a full distribution of N states. We find that it is necessary to include the full distribution of levels in order to account for the small low-field mobility and the absence of a negative differential velocity regime observed experimentally with increasing x. Model 2 breaks down at intermediate and high field, due to the unphysical constraint of limiting carriers to the lower BAC band. For model 1, carrier scattering into the L bands is reduced at intermediate electric fields but is comparable at high fields to that observed in GaAs, with the calculated high-field mobility and carrier distribution then also being comparable to GaAs. Overall the results account well for a wide range of experimental data.

Magnon Hall effect on the Lieb lattice.

PubMed

Cao, Xiaodong; Chen, Kai; He, Dahai

2015-04-29

Ferromagnetic insulators without inversion symmetry may show magnon Hall effect (MHE) in the presence of a temperature gradient due to the existence of Dzyaloshinskii-Moriya interaction (DMI). In this theoretical study, we investigate MHE on a lattice with inversion symmetry, namely the Lieb lattice, where the DMI is introduced by adding an external electric field. We show the nontrivial topology of this model by examining the existence of edge states and computing the topological phase diagram characterized by the Chern numbers of different bands. Together with the topological phase diagram, we can further determine the sign and magnitude of the transverse thermal conductivity. The impact of the flat band possessed by this model on the thermal conductivity is discussed by computing the Berry curvature analytically.

Nitrogen-Induced Perturbation of the Valence Band States in GaP1-xNx Alloys

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

Dudiy, S. V.; Zunger, A.; Felici, M.

2006-01-01

The effects of diluted nitrogen impurities on the valence- and conduction-band states of GaP{sub 1-x}N{sub x} have been predicted and measured experimentally. The calculation uses state-of-the-art atomistic modeling: we use large supercells with screened pseudopotentials and consider several random realizations of the nitrogen configurations. These calculations agree with photoluminescence excitation (PLE) measurements performed for nitrogen concentrations x up to 0.035 and photon energies up to 1 eV above the GaP optical-absorption edge, as well as with published ellipsometry data. In particular, a predicted nitrogen-induced buildup of the L character near the valence- and conduction-band edges accounts for the surprising broad-absorptionmore » plateau observed in PLE between the X{sub 1c} and the {Lambda}{sub 1c} critical points of GaP. Moreover, theory accounts quantitatively for the downward bowing of the indirect conduction-band edge and for the upward bowing of the direct transition with increasing nitrogen concentration. We review some of the controversies in the literature regarding the shifts in the conduction band with composition, and conclude that measured results at ultralow N concentration cannot be used to judge behavior at a higher concentration. In particular, we find that at the high concentrations of nitrogen studied here ({approx}1%) the conduction-band edge (CBE) is a hybridized state made from the original GaP X{sub 1c} band-edge state plus all cluster states. In this limit, the CBE plunges down in energy as the N concentration increases, in quantitative agreement with the measurements reported here. However, at ultralow nitrogen concentrations (<0.1%), the CBE is the nearly unperturbed host X{sub 1c}, which does not sense the nitrogen cluster levels. Thus, this state does not move energetically as nitrogen is added and stays pinned in energy, in agreement with experimental results.« less

A model study of tunneling conductance spectra of ferromagnetically ordered manganites

NASA Astrophysics Data System (ADS)

Panda, Saswati; Kar, J. K.; Rout, G. C.

2018-02-01

We report here the interplay of ferromagnetism (FM) and charge density wave (CDW) in manganese oxide systems through the study of tunneling conductance spectra. The model Hamiltonian consists of strong Heisenberg coupling in core t2g band electrons within mean-field approximation giving rise to ferromagnetism. Ferromagnetism is induced in the itinerant eg electrons due to Kubo-Ohata type double exchange (DE) interaction among the t2g and eg electrons. The charge ordering (CO) present in the eg band giving rise to CDW interaction is considered as the extra-mechanism to explain the colossal magnetoresistance (CMR) property of manganites. The magnetic and CDW order parameters are calculated using Zubarev's Green's function technique and solved self-consistently and numerically. The eg electron density of states (DOS) calculated from the imaginary part of the Green's function explains the experimentally observed tunneling conductance spectra. The DOS graph exhibits a parabolic gap near the Fermi energy as observed in tunneling conductance spectra experiments.

Thermal evaporation and condensation synthesis of metallic Zn layered polyhedral microparticles

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

Khan, Waheed S.; Cao, Chuanbao, E-mail: cbcao@bit.edu.cn; Usman, Zahid

2011-12-15

Highlights: Black-Right-Pointing-Pointer Zn polyhedral microparticles prepared by thermal evaporation and condensation route. Black-Right-Pointing-Pointer Vapour-solid process based growth model governs the formation of Zn microparticles. Black-Right-Pointing-Pointer A strong PL emission band is observed at 369 nm in UV region. Black-Right-Pointing-Pointer Radiative recombination of electrons in the s, p conduction band and the holes in the d bands causes this emission. -- Abstract: Metallic zinc layered polyhedral microparticles have been fabricated by thermal evaporation and condensation technique using zinc as precursor at 750 Degree-Sign C for 120 min and NH{sub 3} as a carrier gas. The zinc polyhedral microparticles with oblate sphericalmore » shape are observed to be 2-9 {mu}m in diameter along major axes and 1-7 {mu}m in thickness along minor axes. The structural, compositional and morphological characterizations were performed by X-ray diffraction (XRD), energy dispersive X-ray spectroscopy (EDS), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and selected area electron diffraction (SAED). A vapour-solid (VS) mechanism based growth model has been proposed for the formation of Zn microparticles. Room temperature photoluminescence (PL) emission spectrum of the product exhibited a strong emission band at 369 nm attributed to the radiative recombination of electrons in the s, p conduction band near Fermi surface and the holes in the d bands generated by the optical excitation.« less

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

DOE PAGES

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

Spectral characterization of the LANDSAT thematic mapper sensors

NASA Technical Reports Server (NTRS)

Markham, B. L.; Barker, J. L.

1983-01-01

Data collected on the spectral characteristics of the LANDSAT-4 and LANDSAT-4 backup thematic mapper instruments, the protoflight (TM/PF) and flight (TM/F) models, respectively, are presented and analyzed. Tests were conducted on the instruments and their components to determine compliance with two sets of spectral specifications: band-by-band spectral coverage and channel-by-channel within-band spectral matching. Spectral coverage specifications were placed on: (1) band edges--points at 50% of peak response, (2) band edge slopes--steepness of rise and fall-off of response, (3) spectral flatness--evenness of response between edges, and (4) spurious system response--ratio of out-of-band response to in-band response. Compliance with the spectral coverage specifications was determined by analysis of spectral measurements on the individual components contributing to the overall spectral response: filters, detectors, and optical surfaces.

The thermal expansion of (Fe1-y Ni y )Si.

PubMed

Hunt, Simon A; Wann, Elizabeth T H; Dobson, David P; Vočadlo, Lindunka; Wood, Ian G

2017-08-23

We have measured the thermal expansion of (Fe 1-y Ni y )Si for y  =  0, 0.1 and 0.2, between 40 and 1273 K. Above ~700 K the unit-cell volumes of the samples decrease approximately linearly with increasing Ni content. Below ~200 K the unit-cell volume of FeSi falls to a value between that of (Fe 0.9 Ni 0.1 )Si and (Fe 0.8 Ni 0.2 )Si. We attribute this extra contraction of the FeSi, which is a narrow band-gap semiconductor, to the depopulation of the conduction band at low temperatures; in the two alloys the additional electrons introduced by the substitution of Ni lead to the conduction band always being populated. We have fit the unit-cell volume data with a Debye internal energy model of thermal expansion and an additional volume term, above 800 K, to take account of the volumetric changes associated with changes in the composition of the sample. Using the thermophysical parameters of the fit we have estimated the band gap in FeSi to be 21(1) meV and the unit-cell volume change in FeSi associated with the depopulation of the conduction band to be 0.066(35) Å 3 /unit-cell.

Characterization and Mitigation of Resistive Losses in a Large Area Laser Power Converter

DTIC Science & Technology

2014-03-27

level lies between the valence and conduction band such that relatively few electrons are thermally excited into the conduction band. Pure crystalline...have an equal number of electrons in the conduction band and holes in the valence band when it is in thermal equilibrium. That is, the electron...easily be thermally excited into the conduction band and act as a mobile charge carrier within the material, now considered n-type for it contains a

Hubbard physics in the PAW GW approximation

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

Booth, J. M., E-mail: jamie.booth@rmit.edu.au; Smith, J. S.; Russo, S. P.

It is demonstrated that the signatures of the Hubbard Model in the strongly interacting regime can be simulated by modifying the screening in the limit of zero wavevector in Projector-Augmented Wave GW calculations for systems without significant nesting. This modification, when applied to the Mott insulator CuO, results in the opening of the Mott gap by the splitting of states at the Fermi level into upper and lower Hubbard bands, and exhibits a giant transfer of spectral weight upon electron doping. The method is also employed to clearly illustrate that the M{sub 1} and M{sub 2} forms of vanadium dioxidemore » are fundamentally different types of insulator. Standard GW calculations are sufficient to open a gap in M{sub 1} VO{sub 2}, which arise from the Peierls pairing filling the valence band, creating homopolar bonds. The valence band wavefunctions are stabilized with respect to the conduction band, reducing polarizability and pushing the conduction band eigenvalues to higher energy. The M{sub 2} structure, however, opens a gap from strong on-site interactions; it is a Mott insulator.« less

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.

Origin of band gap bowing in dilute GaAs1-xNx and GaP1-xNx alloys: A real-space view

NASA Astrophysics Data System (ADS)

Virkkala, Ville; Havu, Ville; Tuomisto, Filip; Puska, Martti J.

2013-07-01

The origin of the band gap bowing in dilute nitrogen doped gallium based III-V semiconductors is largely debated. In this paper we show the dilute GaAs1-xNx and GaP1-xNx as representative examples that the nitrogen-induced states close to the conduction band minimum propagate along the zigzag chains on the {110} planes. Thereby states originating from different N atoms interact with each other resulting in broadening of the nitrogen-induced states which narrows the band gap. Our modeling based on ab initio theoretical calculations explains the experimentally observed N concentration dependent band gap narrowing both qualitatively and quantitatively.

HydroCube mission concept: P-Band signals of opportunity for remote sensing of snow and root zone soil moisture

NASA Astrophysics Data System (ADS)

Yueh, Simon; Shah, Rashmi; Xu, Xiaolan; Elder, Kelly; Chae, Chun Sik; Margulis, Steve; Liston, Glen; Durand, Michael; Derksen, Chris

2017-09-01

We have developed the HydroCube mission concept with a constellation of small satellites to remotely sense Snow Water Equivalent (SWE) and Root Zone Soil Moisture (RZSM). The HydroCube satellites would operate at sun-synchronous 3- day repeat polar orbits with a spatial resolution of about 1-3 Km. The mission goals would be to improve the estimation of terrestrial water storage and weather forecasts. Root-zone soil moisture and snow water storage in land are critical parameters of the water cycle. The HydroCube Signals of Opportunity (SoOp) concept utilizes passive receivers to detect the reflection of strong existing P-band radio signals from geostationary Mobile Use Objective System (MUOS) communication satellites. The SWE remote sensing measurement principle using the P-band SoOp is based on the propagation delay (or phase change) of radio signals through the snowpack. The time delay of the reflected signal due to the snowpack with respect to snow-free conditions is directly proportional to the snowpack SWE. To address the ionospheric delay at P-band frequencies, the signals from both MUOS bands (360-380 MHz and 250-270 MHz) would be used. We have conducted an analysis to trade off the spatial resolution for a space-based sensor and measurement accuracy. Through modeling analysis, we find that the dual-band MUOS signals would allow estimation of soil moisture and surface roughness together. From the two MUOS frequencies at 260 MHz and 370 MHz, we can retrieve the soil moisture from the reflectivity ratio scaled by wavenumbers using the two P-band frequencies for MUOS. A modeling analysis using layered stratified model has been completed to determine the sensitivity requirements of HydroCube measurements. For mission concept demonstration, a field campaign has been conducted at the Fraser Experimental Forest in Colorado since February 2016. The data acquired has provided support to the HydroCube concept.

An Empirical Study on Washback Effects of the Internet-Based College English Test Band 4 in China

ERIC Educational Resources Information Center

Wang, Chao; Yan, Jiaolan; Liu, Bao

2014-01-01

Based on Bailey's washback model, in respect of participants, process and products, the present empirical study was conducted to find the actual washback effects of the internet-based College English Test Band 4 (IB CET-4). The methods adopted are questionnaires, class observation, interview and the analysis of both the CET-4 teaching and testing…

Scattering and transport statistics at the metal-insulator transition: A numerical study of the power-law banded random-matrix model

NASA Astrophysics Data System (ADS)

Méndez-Bermúdez, J. A.; Gopar, Victor A.; Varga, Imre

2010-09-01

We study numerically scattering and transport statistical properties of the one-dimensional Anderson model at the metal-insulator transition described by the power-law banded random matrix (PBRM) model at criticality. Within a scattering approach to electronic transport, we concentrate on the case of a small number of single-channel attached leads. We observe a smooth crossover from localized to delocalized behavior in the average-scattering matrix elements, the conductance probability distribution, the variance of the conductance, and the shot noise power by varying b (the effective bandwidth of the PBRM model) from small (b≪1) to large (b>1) values. We contrast our results with analytic random matrix theory predictions which are expected to be recovered in the limit b→∞ . We also compare our results for the PBRM model with those for the three-dimensional (3D) Anderson model at criticality, finding that the PBRM model with bɛ[0.2,0.4] reproduces well the scattering and transport properties of the 3D Anderson model.

Anomalous phenomena in Schumann resonance band observed in China before the 2011 magnitude 9.0 Tohoku-Oki earthquake in Japan

NASA Astrophysics Data System (ADS)

Zhou, Hongjuan; Zhou, Zhiquan; Qiao, Xiaolin; Yu, Haiyan

2013-12-01

anomalous phenomena in the Schumann resonance (SR) band, possibly associated with the Tohoku-Oki earthquake (EQ), are studied based on the ELF observations at two stations in China. The anomaly appeared on 8 March, 3 days prior to the main shock, and was characterized by an increase in the intensity at frequencies from the first mode to the fourth mode in both magnetic field components, different from the observations in Japan before large EQs in Taiwan. The abnormal behaviors of the north-south and east-west magnetic field components primarily appeared at 0000-0900 UT and 0200-0900 UT on 8 March, respectively. The finite difference time domain numerical method is applied to model the impact of seismic process on the ELF radio propagation. A partially uniform knee model of the vertical conductivity profile suggested by V. C. Mushtak is used to model the day-night asymmetric Earth-ionosphere cavity, and a locally EQ-induced disturbance model of the atmospheric conductivity is introduced. The atmospheric conductivity is assumed to increase around the epicenter according to the localized enhancement of total electron content in the ionosphere. It is concluded that the SR anomalous phenomena before the Tohoku-Oki EQ have much to do with the excited sources located at South America and Asia and also with the localized distribution of the disturbed conductivity. This work is a further confirmation of the relationship of SR anomalies with large EQs and has further concluded that the distortions in the SR band before large EQs may be caused by the irregularities located over the shock epicenter in the Earth-ionosphere cavity by numerical method.

Summary and Analysis of the U.S. Government Bat Banding Program

USGS Publications Warehouse

Ellison, Laura E.

2008-01-01

This report summarizes the U.S. Government Bat Banding Program (BBP) from 1932 to 1972. More than 2 million bands were issued during the program, of which approximately 1.5 million bands were applied to 36 bat species by scientists in many locations in North America including the U.S., Canada, Mexico, and Central America. Throughout the BBP, banders noticed numerous and deleterious effects on bats, leading to a moratorium on bat banding by the U.S. Fish and Wildlife Service, and a resolution to cease banding by the American Society of Mammalogists in 1973. One of the main points of the memorandum written to justify the moratorium was to conduct a 'detailed evaluation of the files of the bat-banding program.' However, a critical and detailed evaluation of the BBP was never completed. In an effort to satisfy this need, I compiled a detailed history of the BBP by examining the files and conducting a literature review on bat banding activities during the program. I also provided a case study in managing data and applying current mark-recapture theory to estimate survival using the information from a series of bat bands issued to Clyde M. Senger during the BBP. The majority of bands applied by Senger were to Townsend's big-eared bat (Corynorhinus townsendii), a species of special concern for many states within its geographic range. I developed a database management system for the bat banding records and then analyzed and modeled survival of hibernating Townsend's big-eared bats at three main locations in Washington State using Cormack-Jolly-Seber (CJS) open models and the modeling capabilities of Program MARK. This analysis of a select dataset in the BBP files provided relatively precise estimates of survival for wintering Townsend's big-eared bats. However, this dataset is unique due to its well-maintained and complete state and because there were high recapture rates over the course of banding; it is doubtful that other unpublished datasets of the same quality exist buried in the BBP files for further analyses. Lastly, I make several recommendations based on the findings of this summary and analysis, the most important of which is that marking bats with standard metal or split-ring forearm bands should not be considered for mark-recapture studies unless the information sought and the potential for obtaining unbiased estimates from that information vastly outweighs the potential negative effects to the bats.

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.

Effect of Substitutional Pb Doping on Bipolar and Lattice Thermal Conductivity in p-Type Bi0.48Sb1.52Te₃.

PubMed

Kim, Hyun-Sik; Lee, Kyu Hyoung; Yoo, Joonyeon; Youn, Jehun; Roh, Jong Wook; Kim, Sang-Il; Kim, Sung Wng

2017-07-06

Cation substitutional doping is an effective approach to modifying the electronic and thermal transports in Bi₂Te₃-based thermoelectric alloys. Here we present a comprehensive analysis of the electrical and thermal conductivities of polycrystalline Pb-doped p-type bulk Bi 0.48 Sb 1.52 Te₃. Pb doping significantly increased the electrical conductivity up to ~2700 S/cm at x = 0.02 in Bi 0.48-x Pb x Sb 1.52 Te₃ due to the increase in hole carrier concentration. Even though the total thermal conductivity increased as Pb was added, due to the increased hole carrier concentration, the thermal conductivity was reduced by 14-22% if the contribution of the increased hole carrier concentration was excluded. To further understand the origin of reduction in the thermal conductivity, we first estimated the contribution of bipolar conduction to thermal conductivity from a two-parabolic band model, which is an extension of the single parabolic band model. Thereafter, the contribution of additional point defect scattering caused by Pb substitution (Pb in the cation site) was analyzed using the Debye-Callaway model. We found that Pb doping significantly suppressed both the bipolar thermal conduction and lattice thermal conductivity simultaneously, while the bipolar contribution to the total thermal conductivity reduction increased at high temperatures. At Pb doping of x = 0.02, the bipolar thermal conductivity decreased by ~30% from 0.47 W/mK to 0.33 W/mK at 480 K, which accounts for 70% of the total reduction.

Effect of Substitutional Pb Doping on Bipolar and Lattice Thermal Conductivity in p-Type Bi0.48Sb1.52Te3

PubMed Central

Kim, Hyun-sik; Lee, Kyu Hyoung; Yoo, Joonyeon; Youn, Jehun; Roh, Jong Wook; Kim, Sang-il; Kim, Sung Wng

2017-01-01

Cation substitutional doping is an effective approach to modifying the electronic and thermal transports in Bi2Te3-based thermoelectric alloys. Here we present a comprehensive analysis of the electrical and thermal conductivities of polycrystalline Pb-doped p-type bulk Bi0.48Sb1.52Te3. Pb doping significantly increased the electrical conductivity up to ~2700 S/cm at x = 0.02 in Bi0.48-xPbxSb1.52Te3 due to the increase in hole carrier concentration. Even though the total thermal conductivity increased as Pb was added, due to the increased hole carrier concentration, the thermal conductivity was reduced by 14–22% if the contribution of the increased hole carrier concentration was excluded. To further understand the origin of reduction in the thermal conductivity, we first estimated the contribution of bipolar conduction to thermal conductivity from a two-parabolic band model, which is an extension of the single parabolic band model. Thereafter, the contribution of additional point defect scattering caused by Pb substitution (Pb in the cation site) was analyzed using the Debye–Callaway model. We found that Pb doping significantly suppressed both the bipolar thermal conduction and lattice thermal conductivity simultaneously, while the bipolar contribution to the total thermal conductivity reduction increased at high temperatures. At Pb doping of x = 0.02, the bipolar thermal conductivity decreased by ~30% from 0.47 W/mK to 0.33 W/mK at 480 K, which accounts for 70% of the total reduction. PMID:28773118

Aspects of metallic low-temperature transport in Mott-insulator/band-insulator superlattices: Optical conductivity and thermoelectricity

NASA Astrophysics Data System (ADS)

Rüegg, Andreas; Pilgram, Sebastian; Sigrist, Manfred

2008-06-01

We investigate the low-temperature electrical and thermal transport properties in atomically precise metallic heterostructures involving strongly correlated electron systems. The model of the Mott-insulator/band-insulator superlattice was discussed in the framework of the slave-boson mean-field approximation and transport quantities were derived by use of the Boltzmann transport equation in the relaxation-time approximation. The results for the optical conductivity are in good agreement with recently published experimental data on (LaTiO3)N/(SrTiO3)M superlattices and allow us to estimate the values of key parameters of the model. Furthermore, predictions for the thermoelectric response were made and the dependence of the Seebeck coefficient on model parameters was studied in detail. The width of the Mott-insulating material was identified as the most relevant parameter, in particular, this parameter provides a way to optimize the thermoelectric power factor at low temperatures.

Isochrone Fitting of Hubble Photometry in UV-Vis Bands

NASA Astrophysics Data System (ADS)

Barker, Hallie; Paust, Nathaniel

2017-01-01

We present the results of isochrone fitting of color-magnitude diagrams from Hubble Space Telescope Wide Field Camera 3 (WFC3) and Advanced Camera for Surveys (ACS) photometry of the globular clusters M13 and M80 in five bands from the ultraviolet to near infrared. Fits from both the Dartmouth Stellar Evolution Program (DSEP) and the PAdova and TRieste Stellar Evolution Code (PARSEC) are examined. Ages, extinctions, and distances are found from the isochrone fitting, and metallicities are confirmed. We conduct careful qualitative analysis on the inconsistencies of the fits across all of the color combinations possible with the five observed bands, and find that the (F606W-F814W) color generally produces very good fits, but that there are large discrepancies when the data is fit using colors including UV bands for both models. Finally, we directly compare the two models by performing isochrone-isochrone fitting, and find that the age in PARSEC is on average 1.5 Gyr younger than DSEP for similar-appearing models at the same metallicity, and that the two models become less discrepant at lower metallicities.

Interplay between hopping and band transport in high-mobility disordered semiconductors at large carrier concentrations: The case of the amorphous oxide InGaZnO

NASA Astrophysics Data System (ADS)

Fishchuk, I. I.; Kadashchuk, A.; Bhoolokam, A.; de Jamblinne de Meux, A.; Pourtois, G.; Gavrilyuk, M. M.; Köhler, A.; Bässler, H.; Heremans, P.; Genoe, J.

2016-05-01

We suggest an analytic theory based on the effective medium approximation (EMA) which is able to describe charge-carrier transport in a disordered semiconductor with a significant degree of degeneration realized at high carrier concentrations, especially relevant in some thin-film transistors (TFTs), when the Fermi level is very close to the conduction-band edge. The EMA model is based on special averaging of the Fermi-Dirac carrier distributions using a suitably normalized cumulative density-of-state distribution that includes both delocalized states and the localized states. The principal advantage of the present model is its ability to describe universally effective drift and Hall mobility in heterogeneous materials as a function of disorder, temperature, and carrier concentration within the same theoretical formalism. It also bridges a gap between hopping and bandlike transport in an energetically heterogeneous system. The key assumption of the model is that the charge carriers move through delocalized states and that, in addition to the tail of the localized states, the disorder can give rise to spatial energy variation of the transport-band edge being described by a Gaussian distribution. It can explain a puzzling observation of activated and carrier-concentration-dependent Hall mobility in a disordered system featuring an ideal Hall effect. The present model has been successfully applied to describe experimental results on the charge transport measured in an amorphous oxide semiconductor, In-Ga-Zn-O (a-IGZO). In particular, the model reproduces well both the conventional Meyer-Neldel (MN) compensation behavior for the charge-carrier mobility and inverse-MN effect for the conductivity observed in the same a-IGZO TFT. The model was further supported by ab initio calculations revealing that the amorphization of IGZO gives rise to variation of the conduction-band edge rather than to the creation of localized states. The obtained changes agree with the one we used to describe the charge transport. We found that the band-edge variation dominates the charge transport in high-quality a-IGZO TFTs in the above-threshold voltage region, whereas the localized states need not to be invoked to account for the experimental results in this material.

Electrical design of InAs-Sb/GaSb superlattices for optical detectors using full bandstructure sp3s* tight-binding method and Bloch boundary conditions

NASA Astrophysics Data System (ADS)

Mir, Raja N.; Frensley, William R.

2013-10-01

InAs-Sb/GaSb type-II strain compensated superlattices (SLS) are currently being used in mid-wave and long-wave infrared photodetectors. The electronic bandstructure of InSb and GaSb shows very strong anisotropy and non-parabolicity close to the Γ-point for the conduction band (CB) minimum and the valence band (VB) maximum. Particularly around the energy range of 45-80 meV from band-edge we observe strong non-parabolicity in the CB and light hole VB. The band-edge dispersion determines the electrical properties of a material. When the bulk materials are combined to form a superlattice we need a model of bandstructure which takes into account the full bandstructure details of the constituents and also the strong interaction between the conduction band of InAs and valence bands of GaSb. There can also be contact potentials near the interface between two dissimilar superlattices which will not be captured unless a full bandstructure calculation is done. In this study, we have done a calculation using second nearest neighbor tight binding model in order to accurately reproduce the effective masses. The calculation of mini-band structure is done by finding the wavefunctions within one SL period subject to Bloch boundary conditions ψ(L)=ψ(0)eikL. We demonstrate in this paper how a calculation of carrier concentration as a function of the position of the Fermi level (EF) within bandgap(Eg) should be done in order to take into account the full bandstructure of broken-bandgap material systems. This calculation is key for determining electron transport particularly when we have an interface between two dissimilar superlattices.

Novel natural super-lattice materials with low thermal conductivity for thermoelectric applications: A first principles study

NASA Astrophysics Data System (ADS)

Sreeparvathy, P. C.; Kanchana, V.

2017-12-01

A systematic study which reveals the low thermal conductivity and high thermopower on a series of natural superlattice structures in the form BaXFCh (X: Cu, Ag, Ch: S, Se, Te), LaXSO (X: Cu, Ag) and SrCuTeF are presented. Low thermal conductivity is predicted by combining elastic constants and few well established models. The electronic properties reveal the highly two dimensional nature of band structure in the valence band, and this is confirmed through effective mass calculations. The huge difference in effective mass along different crystallographic directions in valence band introduces anisotropy in the transport properties for hole doping, and 'a' axis is found to be more favourable. In addition to these, the parameter A (S2σ/τT/κe /τ), which can decouple the relaxation time is also calculated, and it reveals the possibility of good thermoelectric properties in these compounds. Our results are comparable with prototype thermoelectric materials, and show better values than traditional TE materials.

Physiological condition of autumn-banded mallards and its relationship to hunting vulnerability

USGS Publications Warehouse

Hepp, G.R.; Blohm, R.J.; Reynolds, R.E.; Hines, J.E.; Nichols, J.D.

1986-01-01

An important topic of waterfowl ecology concerns the relationship between the physiological condition of ducks during the nonbreeding season and fitness, i.e., survival and future reproductive success. We investigated this subject using direct band recovery records of mallards (Anas platyrhynchos) banded in autumn (1 Oct-15 Dec) 1981-83 in the Mississippi Alluvial Valley (MAV) [USA]. A condition index, weight (g)/wing length (mm), was calculated for each duck, and we tested whether condition of mallards at time of banding was related to their probability of recovery during the hunting season. In 3 years, 5,610 mallards were banded and there were 234 direct recoveries. Three binary regression model was used to test the relationship between recovery probability and condition. Likelihood-ratio tests were conducted to determine the most suitable model. For mallards banded in autumn there was a negative relationship between physical condition and the probability of recovery. Mallards in poor condition at the time of banding had a greater probability of being recovered during the hunting season. In general, this was true for all ages and sex classes; however, the strongest relationship occurred for adult males.

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.

Effects of Conductor Expressivity on Secondary School Band Members' Performance and Attitudes toward Conducting

ERIC Educational Resources Information Center

Silvey, Brian A.; Koerner, Bryan D.

2016-01-01

We investigated the effects of expressive and unexpressive conducting on secondary school band members' and experts' audio evaluations of band performance expressivity. A conductor, who demonstrated either expressive or unexpressive conducting techniques, led both an eighth-grade and a high school band in four separate "run-throughs" of…

Compositional bowing of band energies and their deformation potentials in strained InGaAs ternary alloys: A first-principles study

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.

Wind tunnel tests of modified cross, hemisflo, and disk-gap-band parachutes with emphasis in the transonic range

NASA Technical Reports Server (NTRS)

Foughner, J. T., Jr.; Alexander, W. C.

1974-01-01

Transonic wind-tunnel studies were conducted with modified cross, hemisflo, and disk-gap-band parachute models in the wake of a cone-cylinder shape forebody. The basic cross design was modified with the addition of a circumferential constraining band at the lower edge of the canopy panels. The tests covered a Mach number range of 0.3 to 1.2 and a dynamic pressure range from 479 Newtons per square meter to 5746 Newtons per square meter. The parachute models were flexible textile-type structures and were tethered to a rigid forebody with a single flexible riser. Different size models of the modified cross and disk-gap-band canopies were tested to evaluate scale effects. Model reference diameters were 0.30, 0.61, and 1.07 meters (1.0, 2.0, and 3.5 ft) for the modified cross; and nominal diameters of 0.25 and 0.52 meter (0.83 and 1.7 ft) for the disk-gap-band; and 0.55 meter (1.8 ft) for the hemisflo. Reefing information is presented for the 0.61-meter-diameter cross and the 0.52-meter-diameter disk-gap-band. Results are presented in the form of the variation of steady-state average drag coefficient with Mach number. General stability characteristics of each parachute are discussed. Included are comments on canopy coning, spinning, and fluttering motions.

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.

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.

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.

Radiative transitions in highly doped and compensated chalcopyrites and kesterites: The case of Cu2ZnSnS4

NASA Astrophysics Data System (ADS)

Teixeira, J. P.; Sousa, R. A.; Sousa, M. G.; da Cunha, A. F.; Fernandes, P. A.; Salomé, P. M. P.; Leitão, J. P.

2014-12-01

The theoretical models of radiative recombinations in both CuIn1 -xGaxSe2 chalcopyrite and Cu2ZnSnS4 kesterite, and related compounds, were revised. For heavily doped materials, electrons are free or bound to large donor agglomerates which hinders the involvement of single donors in the radiative recombination channels. In this work, we investigated the temperature and excitation power dependencies of the photoluminescence of Cu2ZnSnS4-based solar cells in which the absorber layer was grown through sulphurization of multiperiod structures of precursor layers. For both samples the luminescence is dominated by an asymmetric band with peak energy at ˜1.22 eV, which is influenced by fluctuating potentials in both conduction and valence bands. A value of ˜60 meV was estimated for the root-mean-square depth of the tails in the conduction band. The radiative transitions involve the recombination of electrons captured by localized states in tails of the conduction band with holes localized in neighboring acceptors that follow the fluctuations in the valence band. The same acceptor level with an ionization energy of ˜280 meV was identified in both absorber layers. The influence of fluctuating potentials in the electrical performance of the solar cells was discussed.

Snow measurement Using P-Band Signals of Opportunity Reflectometry

NASA Astrophysics Data System (ADS)

Shah, R.; Yueh, S. H.; Xu, X.; Elder, K.

2017-12-01

Snow water storage in land is a critical parameter of the water cycle. In this study, we develop methods for estimating reflectance from bistatic scattering of digital communication Signals of Opportunity (SoOp) across the available microwave spectrum from VHF to Ka band and show results from proof-of-concept experiments at the Fraser Experimental Forest, Colorado to acquire measurements to relate the SoOp phase and reflectivity to a snow-covered soil surface. The forward modeling of this scenario will be presented and multiple sensitivities were conducted. Available SoOp receiver data along with a network of in situ sensor measurements collected since January 2016 will be used to validate theoretical modeling results. In the winter season of 2016 and 2017, we conducted a field experiment using VHF/UHF-band illuminating sources to detect SWE and surface reflectivity. The amplitude of the reflectivity showed sensitivity to the wetness of snow pack and ground reflectivity while the phase showed sensitivity to SWE. This use of this concept can be helpful to measure the snow water storage in land globally.

Attractive Hubbard model with disorder and the generalized Anderson theorem

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

Kuchinskii, E. Z., E-mail: kuchinsk@iep.uran.ru; Kuleeva, N. A., E-mail: strigina@iep.uran.ru; Sadovskii, M. V., E-mail: sadovski@iep.uran.ru

Using the generalized DMFT+Σ approach, we study the influence of disorder on single-particle properties of the normal phase and the superconducting transition temperature in the attractive Hubbard model. A wide range of attractive potentials U is studied, from the weak coupling region, where both the instability of the normal phase and superconductivity are well described by the BCS model, to the strong-coupling region, where the superconducting transition is due to Bose-Einstein condensation (BEC) of compact Cooper pairs, formed at temperatures much higher than the superconducting transition temperature. We study two typical models of the conduction band with semi-elliptic and flatmore » densities of states, respectively appropriate for three-dimensional and two-dimensional systems. For the semi-elliptic density of states, the disorder influence on all single-particle properties (e.g., density of states) is universal for an arbitrary strength of electronic correlations and disorder and is due to only the general disorder widening of the conduction band. In the case of a flat density of states, universality is absent in the general case, but still the disorder influence is mainly due to band widening, and the universal behavior is restored for large enough disorder. Using the combination of DMFT+Σ and Nozieres-Schmitt-Rink approximations, we study the disorder influence on the superconducting transition temperature T{sub c} for a range of characteristic values of U and disorder, including the BCS-BEC crossover region and the limit of strong-coupling. Disorder can either suppress T{sub c} (in the weak-coupling region) or significantly increase T{sub c} (in the strong-coupling region). However, in all cases, the generalized Anderson theorem is valid and all changes of the superconducting critical temperature are essentially due to only the general disorder widening of the conduction band.« less

Investigation of dielectric properties of polymer composites reinforced with carbon nanotubes in the frequency band of 0.01 Hz - 10 MHz

NASA Astrophysics Data System (ADS)

Goshev, A. A.; Eseev, M. K.; Kapustin, S. N.; Vinnik, L. N.; Volkov, A. S.

2016-08-01

The goal of this work is experimental study of dielectric properties of polymer nanocomposites reinforced with multiwalled carbon nanotubes (MWCNTs) in alternating electric field in low frequency band of 0.01 Hz - 10 MHz. We investigated the influence, functionalization degree, aspect ratio, concentration of carbon nanotubes (CNTs) on dielectric properties of polymer sample. We also studied the dependence of dielectric properties on the polymerization temperature. The dependence of CNTs agglomeration on sample polymerization temperature and temperature's influence on conductivity has been shown. We conducted model calculation of percolation threshold and figured out its dependence on CNTs aspect ratio.

Electronic and optical properties of GaSb:N from first principles

NASA Astrophysics Data System (ADS)

Jadaun, Priyamvada; Nair, Hari; Lordi, Vincenzo; Bank, Seth; Banerjee, Sanjay

2014-03-01

We present an ab-initio study of dilute nitride III-Vs, focusing on dilute nitride GaSb (GaSb:N). GaSb:N displays promise towards realization of optoelectronic devices accessing the mid-infrared wavelength regime. Theoretical and experimental results on its electronic and optical properties are however few. To address this, we present a first principles, density functional theory study using the hybrid HSE06 exchange-correlation functional of GaSb doped with 1.6% nitrogen. We conduct a comparative study on GaAs:N, also with 1.6% nitrogen mole fraction, and find that GaSb:N has a smaller band gap and displays more band gap bowing than GaAs:N. In addition we examine the orbital character of the bands, finding the lowest conduction band to be quasi-delocalized, with a large N-3s contribution. At high concentrations, the N atoms interact via the host matrix, forming a dispersive band of their own which governs optoelectronic properties and dominates band gap bowing. While this band drives the optical and electronic properties of GaSb:N, its physics is not captured by traditional models for dilute-nitrides. We thus propose that a complete theory of dilute-nitrides should incorporate orbital character examination, especially at high N concentrations. Texas Advanced Computing Center (TACC), U.S. Department of Energy, Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344.

BiVO4 -TiO2 Composite Photocatalysts for Dye Degradation Formed Using the SILAR Method.

PubMed

Odling, Gylen; Robertson, Neil

2016-09-19

Composite photocatalyst films have been fabricated by depositing BiVO4 upon TiO2 via a sequential ionic layer adsorption reaction (SILAR) method. The photocatalytic materials were investigated by XRD, TEM, UV/Vis diffuse reflectance, inductively coupled plasma optical emission spectrometry (ICP-OES), XPS, photoluminescence and Mott-Schottky analyses. SILAR processing was found to deposit monoclinic-scheelite BiVO4 nanoparticles onto the surface, giving successive improvements in the films' visible light harvesting. Electrochemical and valence band XPS studies revealed that the prepared heterojunctions have a type II band structure, with the BiVO4 conduction band and valence band lying cathodically shifted from those of TiO2 . The photocatalytic activity of the films was measured by the decolourisation of the dye rhodamine 6G using λ>400 nm visible light. It was found that five SILAR cycles was optimal, with a pseudo-first-order rate constant of 0.004 min(-1) . As a reference material, the same SILAR modification has been made to an inactive wide-band-gap ZrO2 film, where the mismatch of conduction and valence band energies disallows charge separation. The photocatalytic activity of the BiVO4 -ZrO2 system was found to be significantly reduced, highlighting the importance of charge separation across the interface. The mechanism of action of the photocatalysts has also been investigated, in particular the effect of self-sensitisation by the model organic dye and the ability of the dye to inject electrons into the photocatalyst's conduction band. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Prediction of a mobile two-dimensional electron gas at the LaSc O3 /BaSn O3 (001) interface

NASA Astrophysics Data System (ADS)

Paudel, Tula R.; Tsymbal, Evgeny Y.

2017-12-01

Two-dimensional electron gases (2DEG) at oxide interfaces, such as LaAl O3 /SrTi O3 (001), have aroused significant interest due to their high carrier density (˜1014c m-2 ) and strong lateral confinement (˜1 nm). However, these 2DEGs are normally hosted by the weakly dispersive and degenerate d bands (e.g., Ti -3 d bands), which are strongly coupled to the lattice, causing mobility of such 2DEGs to be relatively low at room temperature (˜1 c m2/Vs ). Here, we propose using oxide host materials with the conduction bands formed from s electrons to increase carrier mobility and soften its temperature dependence. Using first-principles density functional theory calculations, we investigate LaSc O3 /BaSn O3 (001) heterostructure and as a model system, where the conduction band hosts the s -like carriers. We find that the polar discontinuity at this interface leads to electronic reconstruction resulting in the formation of the 2DEG at this interface. The conduction electrons reside in the highly dispersive Sn -5 s bands, which have a large band width and a low effective mass. The predicted 2DEG is expected to be highly mobile even at room temperature due to the reduced electron-phonon scattering via the inter-band scattering channel. A qualitatively similar behavior is predicted for a doped BaSn O3 , where a monolayer of BaO is replaced with LaO. We anticipate that the quantum phenomena associated with these 2DEGs to be more pronounced owing to the high mobility of the carriers.

D Haas-Van Alphen Oscillations in the Diluted Magnetic Semiconductor MERCURY(1-X)IRON(X)SELENIUM.

NASA Astrophysics Data System (ADS)

Miller, Michael Montgomery

de Haas-van Alphen measurements are performed in oriented single crystals of Hg_{ rm 1-x}Fe_{rm x}Se in the range 0.0 <=q x <=q 0.05 for 0.5 < T < 4.2K for the magnetic field range 0.2 T < H < 1.0 T. These data can be interpreted in terms of a closed orbit magnetic breakdown model. The effect of Fe on the conduction band is explored in some detail. It is found that the presence of Fe lowers the Dingle temperature in a non-monotonic fashion, i.e., there is a minimum in the Dingle temperature for x ~ 0.001. This effect cannot be attributed to a gross modification of the band structure. Effective mass measurements are in good agreement with those expected for HgSe. However, the presence of Fe is seen to have a subtle effect on the band structure. The overall symmetry of the band structure may be modified by the addition of Fe. Furthermore, the presence of Fe tends to decrease the inversion asymmetry splitting of the conduction band as evidenced in the low-field beating.

Lifetime enhancement for multiphoton absorption in intermediate band solar cells

NASA Astrophysics Data System (ADS)

Bezerra, Anibal T.; Studart, Nelson

2017-08-01

A semiconductor structure consisting of two coupled quantum wells embedded into the intrinsic region of a p-i-n junction is proposed as an intermediate band solar cell with a photon ratchet state, which would lead to increasing the cell efficiency. The conduction subband of the right-hand side quantum well works as the intermediated band, whereas the excited conduction subband of the left-hand side quantum well operates as the ratchet state. The photoelectrons in the intermediate band are scattered through the thin wells barrier and accumulated into the ratchet subband. A rate equation model for describing the charge transport properties is presented. The efficiency of the current generation is analyzed by studying the occupation of the wells subbands, taking into account the charge dynamic behavior provided by the electrical contacts connected to the cell. The current generation efficiency depends essentially from the relations between the generation, recombination rates and the scattering rate to the ratchet state. The inclusion of the ratchet states led to both an increase and a decrease in the cell current depending on the transition rates. This suggests that the coupling between the intermediate band and the ratchet state is a key point in developing an efficient solar cell.

Thermal Conductivity Enhancement by Optical Phonon Sub-Band Engineering of Nanostructures Based on C and BN

DTIC Science & Technology

2005-09-01

Thermal Conductivity Enhancement by Optical Phonon Sub-Band Engineering of Nanostructures Based on C and BN DARPA CONTRACT MDA972-02-C-0044...AND SUBTITLE Thermal Conductivity Enhancement by Optical Phonon Sub-Band Engineering of Nanostructures Based on C and BN 5a. CONTRACT NUMBER 5b...Conductivity. Enhancement by Optical Phonon Sub-Bands Engineering in 3-D Nanostructures Based on C and BN Nanotubes" 1.3.1a. Phonon dynamics

[Atmospheric correction of visible-infrared band FY-3A/MERSI data based on 6S model].

PubMed

Wu, Yong-Li; Luan, Qing; Tian, Guo-Zhen

2011-06-01

Based on the observation data from the meteorological stations in Taiyuan City and its surrounding areas of Shanxi Province, the atmosphere parameters for 6S model were supplied, and the atmospheric correction of visible-infrared band (precision 250 meters) FY-3A/MERSI data was conducted. After atmospheric correction, the range of visible-infrared band FY-3A/MERSI data was widened, reflectivity increased, high peak was higher, and distribution histogram was smoother. In the meantime, the threshold value of NDVI data reflecting vegetation condition increased, and its high peak was higher, more close to the real data. Moreover, the color synthesis image of correction data showed more abundant information, its brightness increased, contrast enhanced, and the information reflected was more close to real.

A propagation experiment for modelling high elevation angle land mobile satellite channels

NASA Technical Reports Server (NTRS)

Richharia, M.; Evans, B. G.; Butt, G.

1990-01-01

This paper summarizes the results of a feasibility study for conducting high elevation angle propagation experiments in the European region for land mobile satellite communication. The study addresses various aspects of a proposed experiment. These include the selection of a suitable source for transmission, possibility of gathering narrow and wide band propagation data in various frequency bands, types of useful data, data acquisition technique, possible experimental configuration, and other experimental details.

Composition dependence of band alignments in GaxIn1-xAsySb1-y heterojunctions lattice matched to GaSb and InAs

NASA Astrophysics Data System (ADS)

Shim, Kyurhee

2013-11-01

A theoretical model utilizing a universal tight binding method and a correlated function expansion technique is presented to calculate the valence band maximum (VBM) and the conduction band minimum (CBM) of the binary (GaAs, InAS, GaSb, and InSb) and quaternary alloy GaxIn1-xAsySb1-y systems. By organizing the relative positions of the VBM and CBM between semiconductors, the band alignments and band types in the heterojunctions are determined. A straddling (type-I) band alignment in InAs/GaAs, InSb/GaAs, and GaSb/InSb, staggered (type-II) band alignment in GaSb/GaAs, and broken (type-III) band alignment in InSb/InAs and InAs/GaSb are found respectively. In addition, the compositional variations of VBM, CBM, valence band offset, conduction band offset, and band type for the alloy GaxIn1-xAsySb1-y lattice matched on GaSb and InAs are obtained as increasing the composition x. A pronounced upward bowing for the VBM and a very slight upward bowing (almost linear) for CBM are found, respectively. By controlling the compositions (x, y), band type transitions occur. The GaxIn1-xAsySb1-y heterojunctions lattice matched to GaSb changes their band types from type-III at x ˜0→ to type-II at x = 0.07, and → to type-I at x = 0.38. In contrast, the GaxIn1-xAsySb1-y heterojunctions lattice matched to InAs changes their band types from type-II x ˜0→ to type-III at x = 0.32. Reasonable agreement is obtained between our theoretical results and existing experimental data.

Energies of rare-earth ion states relative to host bands in optical materials from electron photoemission spectroscopy

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 stability. All of these results lead to a clearer picture for the host's effect on the rare-earth ion's electron binding energies and will motivate fundamental theoretical analysis and accelerate the development of new optical materials.

Electronic Structures of Purple Bronze KMo6O17 Studied by X-Ray Photoemission Spectra

NASA Astrophysics Data System (ADS)

Qin, Xiaokui; Wei, Junyin; Shi, Jing; Tian, Mingliang; Chen, Hong; Tian, Decheng

X-ray photoemission spectroscopy study has been performed for the purple bronze KMo6O17. The structures of conduction band and valence band are analogous to the results of ultraviolet photoemission spectra and are also consistent with the model of Travaglini et al., but the gap between conduction and valence band is insignificant. The shape of asymmetric and broadening line of O-1s is due to unresolved contributions from the many inequivalent oxygen sites in this crystal structure. Mo 3d core-level spectrum reveals that there are two kinds of valence states of Molybdenum (Mo+5 and Mo+6). The calculated average valence state is about +5.6, which is consistent with the expectation value from the composition of this material. The tail of Mo-3d spectrum toward higher binding energy is the consequence of the excitation of electron-hole pairs with singularity index of 0.21.

Carrier-Specific Femtosecond XUV Transient Absorption of PbI 2 Reveals Ultrafast Nonradiative Recombination

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

Lin, Ming-Fu; Verkamp, Max A.; Leveillee, Joshua

Femtosecond carrier recombination in PbI 2 is measured using tabletop high-harmonic extreme ultraviolet (XUV) transient absorption spectroscopy and ultrafast electron diffraction. XUV absorption from 45 eV to 62 eV measures transitions from the iodine 4d core level to the conduction band density of states. Photoexcitation at 400 nm creates separate and distinct transient absorption signals for holes and electrons, separated in energy by the 2.4 eV band gap of the semiconductor. The shape of the conduction band and therefore the XUV absorption spectrum is temperature dependent, and nonradiative recombination converts the initial electronic excitation to thermal excitation within picoseconds. Ultrafastmore » electron diffraction (UED) is used to measure the lattice temperature and confirm the recombination mechanism. Lastly, the XUV and UED results support a 2nd-order recombination model with a rate constant of 2.5x10 -9 cm 3/s.« less

Chalcogen doping at anionic site: A scheme towards more dispersive valence band in CuAlO2

NASA Astrophysics Data System (ADS)

Mazumder, Nilesh; Sen, Dipayan; Chattopadhyay, Kalyan Kumar

2013-02-01

Using first-principles calculations, we propose to enhance the dispersion of the top of valence band at high-symmetry points by selective introduction of chalcogen (Ch) impurities at oxygen site. As ab-plane hole mobility of CuAlO2 is large enough to support a band-conduction model over a polaronic one at room temperature [M. S. Lee et al. Appl. Phys. Lett. 79, 2029, (2001); J. Tate et al. Phys. Rev. B 80, 165206, (2009)], we examine its electronic and optical properties normal to c-axis. Intrinsic indirectness of energy-gap at Γ-point can be effectively removed along with substantial increase in density of states near Fermi level (EF) upon Ch addition. This can be attributed to S 2p-Cu 3d interaction just at or below EF, which should result in significantly improved carrier mobility and conductivity profile for this important p-type TCO.

Carrier-Specific Femtosecond XUV Transient Absorption of PbI 2 Reveals Ultrafast Nonradiative Recombination

DOE PAGES

Lin, Ming-Fu; Verkamp, Max A.; Leveillee, Joshua; ...

2017-11-30

Femtosecond carrier recombination in PbI 2 is measured using tabletop high-harmonic extreme ultraviolet (XUV) transient absorption spectroscopy and ultrafast electron diffraction. XUV absorption from 45 eV to 62 eV measures transitions from the iodine 4d core level to the conduction band density of states. Photoexcitation at 400 nm creates separate and distinct transient absorption signals for holes and electrons, separated in energy by the 2.4 eV band gap of the semiconductor. The shape of the conduction band and therefore the XUV absorption spectrum is temperature dependent, and nonradiative recombination converts the initial electronic excitation to thermal excitation within picoseconds. Ultrafastmore » electron diffraction (UED) is used to measure the lattice temperature and confirm the recombination mechanism. Lastly, the XUV and UED results support a 2nd-order recombination model with a rate constant of 2.5x10 -9 cm 3/s.« less

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

ERIC Educational Resources Information Center

Silvey, Brian A.; Fisher, Ryan A.

2015-01-01

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

Non-LTE models of Titan's upper atmosphere

NASA Technical Reports Server (NTRS)

Yelle, Roger V.

1991-01-01

Models for the thermal structure of Titan's upper atmosphere, between 0.1 mbar and 0.01 nbar are presented. The calculations include non-LTE heating/cooling in the rotation-vibration bands of CH4, C2H2, and C2H6, absorption of solar IR radiation in the near-IR bands of CH4 and subsequent cascading to the nu-4 band of CH4, absorption of solar EUV and UV radiation, thermal conduction and cooling by HCN rotational lines. Unlike earlier models, the calculated exospheric temperature agrees well with observations, because of the importance of HCN cooling. The calculations predict a well-developed mesopause with a temperature of 135-140 K at an altitude of approximately 600 km and pressure of about 0.1 microbar. The mesopause is at a higher pressure than predicted by earlier calculations because non-LTE radiative transfer in the rotation-vibration bands of CH4, C2H2, and C2H6 is treated in an accurate manner. The accuracy of the LTE approximation for source functions and heating rates is discussed.

Computational Tools for Probing Interactions in Multiple Linear Regression, Multilevel Modeling, and Latent Curve Analysis

ERIC Educational Resources Information Center

Preacher, Kristopher J.; Curran, Patrick J.; Bauer, Daniel J.

2006-01-01

Simple slopes, regions of significance, and confidence bands are commonly used to evaluate interactions in multiple linear regression (MLR) models, and the use of these techniques has recently been extended to multilevel or hierarchical linear modeling (HLM) and latent curve analysis (LCA). However, conducting these tests and plotting the…

Band crossing in isovalent semiconductor alloys with large size mismatch

NASA Astrophysics Data System (ADS)

Deng, Hui-Xiong; Wei, Su-Huai

2012-02-01

Mixing isovalent compounds AC with BC to form alloys A1-xBxC has been an effective way in band structure engineering to enhance the availability of material properties. In most cases, the mixed isovalent atoms A and B, such as Al and Ga in Al1-xGaxAs or As and Sb in GaAs1-xSbx are similar in their atomic sizes and chemical potentials; therefore, the physical properties of A1-xBxC change smoothly from AC to BC. However, in some cases when the chemical and size differences between the isovalent atoms A and B are large, adding a small amount of B to AC or vice versa can lead to a discontinuous change in the electronic band structure. These large size- and chemicalmismatched (LSCM) systems often show unusual and abrupt changes in the alloys' material properties, which provide great potential in material design for novel device applications. In this report, based on first-principles band-structure calculations we show that for LSCM GaAs1-xNx and GaAs1-xBix alloys at the impurity limit the N (Bi)-induced impurity level is above (below) the conduction-(valence-) band edge of GaAs. These trends reverse at high concentration, i.e., the conduction-band edge of GaAs1-xNx becomes an N-derived state and the valence-band edge of GaAs1-xBix becomes a Bi-derived state, as expected from their band characters. We show that this band crossing phenomenon cannot be described by the popular BAC model but can be naturally explained by a simple band broadening picture.

Ultra-thin narrow-band, complementary narrow-band, and dual-band metamaterial absorbers for applications in the THz regime

NASA Astrophysics Data System (ADS)

Astorino, Maria Denise; Frezza, Fabrizio; Tedeschi, Nicola

2017-02-01

In this paper, ultra-thin narrow-band, complementary narrow-band, and dual-band metamaterial absorbers (MMAs), exploiting the same electric ring resonator configuration, are investigated at normal and oblique incidence for both transverse electric (TE) and transverse magnetic (TM) polarizations, and with different physical properties in the THz regime. In the analysis of the ultra-thin narrow-band MMA, the limit of applicability of the transmission line model has been overcome with the introduction of a capacitance which considers the z component of the electric field. These absorbing structures have shown a wide angular response and a polarization-insensitive behavior due to the introduction of a conducting ground plane and to the four-fold rotational symmetry of the resonant elements around the propagation axis. We have adopted a retrieval procedure to extract the effective electromagnetic parameters of the proposed MMAs and we have compared the simulated and analytical results through the interference theory.

Velocity-image model for online signature verification.

PubMed

Khan, Mohammad A U; Niazi, Muhammad Khalid Khan; Khan, Muhammad Aurangzeb

2006-11-01

In general, online signature capturing devices provide outputs in the form of shape and velocity signals. In the past, strokes have been extracted while tracking velocity signal minimas. However, the resulting strokes are larger and complicated in shape and thus make the subsequent job of generating a discriminative template difficult. We propose a new stroke-based algorithm that splits velocity signal into various bands. Based on these bands, strokes are extracted which are smaller and more simpler in nature. Training of our proposed system revealed that low- and high-velocity bands of the signal are unstable, whereas the medium-velocity band can be used for discrimination purposes. Euclidean distances of strokes extracted on the basis of medium velocity band are used for verification purpose. The experiments conducted show improvement in discriminative capability of the proposed stroke-based system.

A study of intrinsic statistical variation for low-energy nuclear recoils in liquid xenon detector for dark matter searches

NASA Astrophysics Data System (ADS)

Wang, Lu; Wei, Wenzhao; Mei, Dongming; Cubed Collaboration

2015-10-01

Noble liquid xenon experiments, such as XENON100, LUX, XENON 1-Ton, and LZ are large dark matter experiments directly searches for weakly interacting massive particles (WIMPs). One of the most important features is to discriminate nuclear recoils from electronic recoils. Detector response is generally calibrated with different radioactive sources including 83mKr, tritiated methane, 241AmBe, 252Cf, and DD-neutrons. The electronic recoil and nuclear recoil bands have been determined by these calibrations. However, the width of nuclear recoil band needs to be fully understood. We derive a theoretical model to understand the correlation of the width of nuclear recoil band and intrinsic statistical variation. In addition, we conduct experiments to validate the theoretical model. In this paper, we present the study of intrinsic statistical variation contributing to the width of nuclear recoil band. DE-FG02-10ER46709 and the state of South Dakota.

Periodic Anderson model with correlated conduction electrons: Variational and exact diagonalization study

NASA Astrophysics Data System (ADS)

Hagymási, I.; Itai, K.; Sólyom, J.

2012-06-01

We investigate an extended version of the periodic Anderson model (the so-called periodic Anderson-Hubbard model) with the aim to understand the role of interaction between conduction electrons in the formation of the heavy-fermion and mixed-valence states. Two methods are used: (i) variational calculation with the Gutzwiller wave function optimizing numerically the ground-state energy and (ii) exact diagonalization of the Hamiltonian for short chains. The f-level occupancy and the renormalization factor of the quasiparticles are calculated as a function of the energy of the f orbital for a wide range of the interaction parameters. The results obtained by the two methods are in reasonably good agreement for the periodic Anderson model. The agreement is maintained even when the interaction between band electrons, Ud, is taken into account, except for the half-filled case. This discrepancy can be explained by the difference between the physics of the one- and higher-dimensional models. We find that this interaction shifts and widens the energy range of the bare f level, where heavy-fermion behavior can be observed. For large-enough Ud this range may lie even above the bare conduction band. The Gutzwiller method indicates a robust transition from Kondo insulator to Mott insulator in the half-filled model, while Ud enhances the quasiparticle mass when the filling is close to half filling.

Measurements of Local Strain Variation in Si(1-x)Ge(x)/Si Heterostructures

NASA Technical Reports Server (NTRS)

Bell, L. D.; Kaiser, W. J.; Manion, S. J.; Milliken, S. J.; Pike, W. T.; Fathauer, R. W.

1995-01-01

The energy splitting of the conduction-band minimum of Si(1-x), Ge(x), due to strain has been directly measured by the application of ballistic-electron-emission microscope (BEEM) spectroscopy to Ag/Si(1-x), Ge(x) structures. Experimental values for this conduction-band splitting agree well with calculations. For Au/Si(1-x), Ge(x), however, heterogeneity in the strain of the Si(1-x), Ge(x) layer is introduced by deposition of the Au. This variation is attributed to species interdiffusion, which produces a rough Si(1-x)Ge(x) surface. Preliminary modeling indicates that the observed roughness is consistent with the strain variation measured by BEEM.

Amplification of transcutaneous and percutaneous bone-conduction devices with a test-band in an induced model of conductive hearing loss.

PubMed

Park, Marn Joon; Lee, Jae Ryung; Yang, Chan Joo; Yoo, Myung Hoon; Jin, In Suk; Choi, Chi Ho; Park, Hong Ju

2016-11-01

Transcutaneous devices have a disadvantage, the dampening effect by soft tissue between the bone and devices. We investigated hearing outcomes with percutaneous and transcutaneous devices using test-bands in an induced unilateral conductive hearing loss. Comparison of hearing outcomes of two devices in the same individuals. The right ear was plugged in 30 subjects and a test-band with devices (Cochlear™ Baha® BP110 Power and Sophono® Alpha-2 MPO™) was applied on the right mastoid tip with the left ear masked. Sound-field thresholds, speech recognition thresholds (SRTs), and word recognition scores (WRSs) were compared. Aided thresholds of Sophono were significantly better than those of Baha at most frequencies. Sophono WRSs (86 ± 12%) at 40 dB SPL and SRTs (14 ± 5 dB HL) were significantly better than those (73 ± 24% and 23 ± 8 dB HL) of Baha. However, Sophono WRSs (98 ± 3%) at 60 dB SPL did not differ from Baha WRSs (95 ± 12%). Amplifications of the current transcutaneous device were not inferior to those of percutaneous devices with a test-band in subjects with normal bone-conduction thresholds. Since the percutaneous devices can increase the gain when fixed to the skull by eliminating the dampening effect, both devices are expected to provide sufficient hearing amplification.

Theory of extrinsic and intrinsic heterojunctions in thermal equilibrium

NASA Technical Reports Server (NTRS)

Von Ross, O.

1980-01-01

A careful analysis of an abrupt heterojunction consisting of two distinct semiconductors either intrinsic or extrinsic is presented. The calculations apply to a one-dimensional, nondegenerate structure. Taking into account all appropriate boundary conditions, it is shown that the intrinsic Fermi level shows a discontinuity at the interface between the two materials which leads to a discontinuity of the valence band edge equal to the difference in the band gap energies of the two materials. The conduction band edge stays continuous however. This result is independent of possible charged interface states and in sharp contrast to the Anderson model. The reasons for this discrepancy are discussed.

Determination of the energy structure of recombination centers in heavily doped AlxGa1-xN:Si epitaxial layers with x > 0.5

NASA Astrophysics Data System (ADS)

Osinnykh, I. V.; Malin, T. V.; Zhuravlev, K. S.

2018-03-01

The photoluminescence properties of the intensive defect-related emission in heavily doped Al x Ga l-x N:Si layers with x > 0.5 have been investigated by photoluminescence (PL) spectroscopy. The PL band in AlN was attributed to donor-acceptor (DA) transitions. At the lowest Al content, the impurity band merges with the conduction band and DA transitions are replaced by electron-acceptor transitions involving the same acceptor. The energy structure of recombination centers was obtained using the model of configuration coordinates for Al0.67Ga0.33N.

A Q-Band Free-Space Characterization of Carbon Nanotube Composites

PubMed Central

Hassan, Ahmed M.; Garboczi, Edward J.

2016-01-01

We present a free-space measurement technique for non-destructive non-contact electrical and dielectric characterization of nano-carbon composites in the Q-band frequency range of 30 GHz to 50 GHz. The experimental system and error correction model accurately reconstruct the conductivity of composite materials that are either thicker than the wave penetration depth, and therefore exhibit negligible microwave transmission (less than −40 dB), or thinner than the wave penetration depth and, therefore, exhibit significant microwave transmission. This error correction model implements a fixed wave propagation distance between antennas and corrects the complex scattering parameters of the specimen from two references, an air slab having geometrical propagation length equal to that of the specimen under test, and a metallic conductor, such as an aluminum plate. Experimental results were validated by reconstructing the relative dielectric permittivity of known dielectric materials and then used to determine the conductivity of nano-carbon composite laminates. This error correction model can simplify routine characterization of thin conducting laminates to just one measurement of scattering parameters, making the method attractive for research, development, and for quality control in the manufacturing environment. PMID:28057959

Electronic properties of graphene and effect of doping on the same

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

Nag, Abhinav, E-mail: abhinavn76@gmail.com; Kumar, Jagdish, E-mail: jagdishphysicist@gmail.com; Sastri, O. S. K. S., E-mail: sastri.osks@gmail.com

2015-05-15

The electronic structure of pure and doped two dimensional crystalline material graphene have been computed and analyzed. Density functional theory has been employed to perform calculations. The electronic exchange and correlations are considered using local density approximation (LDA). The doped material is studied within virtual crystal approximation (VCA) upto 0.15e excess as well as deficient charge per unit cell. Full Potential Linear Augmented Plane Wave basis as implemented in ELK code has been used to perform the calculations. To ensures the monolayer of graphene, distance after which energy is almost constant when interlayer seperation is varied, is taken as separatingmore » distance between the layers. The obtained density of states and band structure is analyzed. Results show that there is zero band gap in undoped graphene and conduction and valence band meets at fermi level at symmetry point K. PDOS graph shows that near the fermi level the main contribution is due to 2p{sub z} electrons. By using VCA, calculations for doped graphene are done and the results for doped graphene are compared with undoped graphene. We found that by electron or hole doping, the point where conduction and valence bands meet can shift below or above the fermi level. The shift in bands seems almost as per rigid band model upto doping concentration studied.« less

Use of Metal Oxide Nanoparticle Band Gap to Develop a Predictive Paradigm for Oxidative Stress and Acute Pulmonary Inflammation

PubMed Central

Zhang, Haiyuan; Ji, Zhaoxia; Xia, Tian; Meng, Huan; Low-Kam, Cecile; Liu, Rong; Pokhrel, Suman; Lin, Sijie; Wang, Xiang; Liao, Yu-Pei; Wang, Meiying; Li, Linjiang; Rallo, Robert; Damoiseaux, Robert; Telesca, Donatello; Mädler, Lutz; Cohen, Yoram; Zink, Jeffrey I.; Nel, Andre E.

2014-01-01

We demonstrate for 24 metal oxide (MOx) nanoparticles that it is possible to use conduction band energy levels to delineate their toxicological potential at cellular and whole animal levels. Among the materials, the overlap of conduction band energy (Ec) levels with the cellular redox potential (−4.12 to −4.84 eV) was strongly correlated to the ability of Co3O4, Cr2O3, Ni2O3, Mn2O3 and CoO nanoparticles to induce oxygen radicals, oxidative stress and inflammation. This outcome is premised on permissible electron transfers from the biological redox couples that maintain the cellular redox equilibrium to the conduction band of the semiconductor particles. Both single parameter cytotoxic as well as multi-parameter oxidative stress assays in cells showed excellent correlation to the generation of acute neutrophilic inflammation and cytokine responses in the lungs of CB57 Bl/6 mice. Co3O4, Ni2O3, Mn2O3 and CoO nanoparticles could also oxidize cytochrome c as a representative redox couple involved in redox homeostasis. While CuO and ZnO generated oxidative stress and acute pulmonary inflammation that is not predicted by Ec levels, the adverse biological effects of these materials could be explained by their solubility, as demonstrated by ICP-MS analysis. Taken together, these results demonstrate, for the first time, that it is possible to predict the toxicity of a large series of MOx nanoparticles in the lung premised on semiconductor properties and an integrated in vitro/in vivo hazard ranking model premised on oxidative stress. This establishes a robust platform for modeling of MOx structure-activity relationships based on band gap energy levels and particle dissolution. This predictive toxicological paradigm is also of considerable importance for regulatory decision-making about this important class of engineered nanomaterials. PMID:22502734

Use of metal oxide nanoparticle band gap to develop a predictive paradigm for oxidative stress and acute pulmonary inflammation.

PubMed

Zhang, Haiyuan; Ji, Zhaoxia; Xia, Tian; Meng, Huan; Low-Kam, Cecile; Liu, Rong; Pokhrel, Suman; Lin, Sijie; Wang, Xiang; Liao, Yu-Pei; Wang, Meiying; Li, Linjiang; Rallo, Robert; Damoiseaux, Robert; Telesca, Donatello; Mädler, Lutz; Cohen, Yoram; Zink, Jeffrey I; Nel, Andre E

2012-05-22

We demonstrate for 24 metal oxide (MOx) nanoparticles that it is possible to use conduction band energy levels to delineate their toxicological potential at cellular and whole animal levels. Among the materials, the overlap of conduction band energy (E(c)) levels with the cellular redox potential (-4.12 to -4.84 eV) was strongly correlated to the ability of Co(3)O(4), Cr(2)O(3), Ni(2)O(3), Mn(2)O(3), and CoO nanoparticles to induce oxygen radicals, oxidative stress, and inflammation. This outcome is premised on permissible electron transfers from the biological redox couples that maintain the cellular redox equilibrium to the conduction band of the semiconductor particles. Both single-parameter cytotoxic as well as multi-parameter oxidative stress assays in cells showed excellent correlation to the generation of acute neutrophilic inflammation and cytokine responses in the lungs of C57 BL/6 mice. Co(3)O(4), Ni(2)O(3), Mn(2)O(3), and CoO nanoparticles could also oxidize cytochrome c as a representative redox couple involved in redox homeostasis. While CuO and ZnO generated oxidative stress and acute pulmonary inflammation that is not predicted by E(c) levels, the adverse biological effects of these materials could be explained by their solubility, as demonstrated by ICP-MS analysis. These results demonstrate that it is possible to predict the toxicity of a large series of MOx nanoparticles in the lung premised on semiconductor properties and an integrated in vitro/in vivo hazard ranking model premised on oxidative stress. This establishes a robust platform for modeling of MOx structure-activity relationships based on band gap energy levels and particle dissolution. This predictive toxicological paradigm is also of considerable importance for regulatory decision-making about this important class of engineered nanomaterials.

Optical conductivity calculation of a k.p model semiconductor GaAs incorporating first-order electron-hole vertex correction

NASA Astrophysics Data System (ADS)

Nurhuda, Maryam; Aziz Majidi, Muhammad

2018-04-01

The role of excitons in semiconducting materials carries potential applications. Experimental results show that excitonic signals also appear in optical absorption spectra of semiconductor system with narrow gap, such as Gallium Arsenide (GaAs). While on the theoretical side, calculation of optical spectra based purely on Density Functional Theory (DFT) without taking electron-hole (e-h) interactions into account does not lead to the appearance of any excitonic signal. Meanwhile, existing DFT-based algorithms that include a full vertex correction through Bethe-Salpeter equation may reveal an excitonic signal, but the algorithm has not provided a way to analyze the excitonic signal further. Motivated to provide a way to isolate the excitonic effect in the optical response theoretically, we develop a method of calculation for the optical conductivity of a narrow band-gap semiconductor GaAs within the 8-band k.p model that includes electron-hole interactions through first-order electron-hole vertex correction. Our calculation confirms that the first-order e-h vertex correction reveals excitonic signal around 1.5 eV (the band gap edge), consistent with the experimental data.

Thermally Stimulated Currents in Nanocrystalline Titania

PubMed Central

Bruzzi, Mara; Mori, Riccardo; Baldi, Andrea; Cavallaro, Alessandro; Scaringella, Monica

2018-01-01

A thorough study on the distribution of defect-related active energy levels has been performed on nanocrystalline TiO2. Films have been deposited on thick-alumina printed circuit boards equipped with electrical contacts, heater and temperature sensors, to carry out a detailed thermally stimulated currents analysis on a wide temperature range (5–630 K), in view to evidence contributions from shallow to deep energy levels within the gap. Data have been processed by numerically modelling electrical transport. The model considers both free and hopping contribution to conduction, a density of states characterized by an exponential tail of localized states below the conduction band and the convolution of standard Thermally Stimulated Currents (TSC) emissions with gaussian distributions to take into account the variability in energy due to local perturbations in the highly disordered network. Results show that in the low temperature range, up to 200 K, hopping within the exponential band tail represents the main contribution to electrical conduction. Above room temperature, electrical conduction is dominated by free carriers contribution and by emissions from deep energy levels, with a defect density ranging within 1014–1018 cm−3, associated with physio- and chemi-sorbed water vapour, OH groups and to oxygen vacancies. PMID:29303976

Thermally Stimulated Currents in Nanocrystalline Titania.

PubMed

Bruzzi, Mara; Mori, Riccardo; Baldi, Andrea; Carnevale, Ennio Antonio; Cavallaro, Alessandro; Scaringella, Monica

2018-01-05

A thorough study on the distribution of defect-related active energy levels has been performed on nanocrystalline TiO₂. Films have been deposited on thick-alumina printed circuit boards equipped with electrical contacts, heater and temperature sensors, to carry out a detailed thermally stimulated currents analysis on a wide temperature range (5-630 K), in view to evidence contributions from shallow to deep energy levels within the gap. Data have been processed by numerically modelling electrical transport. The model considers both free and hopping contribution to conduction, a density of states characterized by an exponential tail of localized states below the conduction band and the convolution of standard Thermally Stimulated Currents (TSC) emissions with gaussian distributions to take into account the variability in energy due to local perturbations in the highly disordered network. Results show that in the low temperature range, up to 200 K, hopping within the exponential band tail represents the main contribution to electrical conduction. Above room temperature, electrical conduction is dominated by free carriers contribution and by emissions from deep energy levels, with a defect density ranging within 10 14 -10 18 cm -3 , associated with physio- and chemi-sorbed water vapour, OH groups and to oxygen vacancies.

Thermal tuning on band gaps of 2D phononic crystals considering adhesive layers

NASA Astrophysics Data System (ADS)

Zhou, Xiaoliang; Chen, Jialin; Li, Yuhang; Sun, Yuxin; Xing, Yufeng

2018-02-01

Phononic crystals are very attractive in many applications, such as noise reduction, filters and vibration isolation, due to their special forbidden band gap structures. In the present paper, the investigation of tunable band gaps of 2D phononic crystals with adhesive layers based on thermal changing is conducted. Based on the lumped-mass method, an analytical model of 2D phononic crystals with relatively thin adhesive layers is established, in which the in-plane and out-of-plane modes are both in consideration. The adhesive material is sensitive to temperature so that the band structure can be tuned and controlled by temperature variation. As temperature increases from 20 °C-80 °C, the first band gap shifts to the frequency zone around 10 kHz, which is included by the audible frequency range. The results propose an important guideline for applications, such as noise suppression using the 2D phononic crystals.

Band gap of corundumlike α -Ga2O3 determined by absorption and ellipsometry

NASA Astrophysics Data System (ADS)

Segura, A.; Artús, L.; Cuscó, R.; Goldhahn, R.; Feneberg, M.

2017-07-01

The electronic structure near the band gap of the corundumlike α phase of Ga2O3 has been investigated by means of optical absorption and spectroscopic ellipsometry measurements in the ultraviolet (UV) range (400-190 nm). The absorption coefficient in the UV region and the imaginary part of the dielectric function exhibit two prominent absorption thresholds with wide but well-defined structures at 5.6 and 6.3 eV which have been ascribed to allowed direct transitions from crystal-field split valence bands to the conduction band. Excitonic effects with large Gaussian broadening are taken into account through the Elliott-Toyozawa model, which yields an exciton binding energy of 110 meV and direct band gaps of 5.61 and 6.44 eV. The large broadening of the absorption onset is related to the slightly indirect character of the material.

Development of a Novel Hybrid Multi-Junction Architecture for Silicon Solar Cells

DTIC Science & Technology

2015-03-26

W Watts KOH Potassium Hydroxide xj Junction depth k Thermal conductivity z Normal distance l Conductor length σ Stefan...outermost orbit [9]. A material conducts electricity when its valence electrons move into the conduction band and become conductor electrons. Conductor ...become a conductor , it must absorb enough energy to overcome the band gap, which is the energy difference between the valence band and the conduction

A simulation study to improve the efficiency of ZnO1-xSx/Cu2ZnSn (Sy, Se1-y)4 solar cells by composition-ratio control

NASA Astrophysics Data System (ADS)

Sharbati, S.; Norouzzadeh, E.; Mohammadi, S.

2018-04-01

This work investigates the impact of the conduction-band offset (CBO) and valence band offset (VBO) on the performance of Zn (O, S)/Cu2ZnSn (S, Se)4 solar cells by numerical simulations. The band gap alignment at the buffer-CZTS layer interface are controlled by the sulfur-to-oxygen and sulfur-to-selenium ratios. The simulation results show that the high sulfur content in the Zn (O, S) layer makes a big offset in the conduction band and high oxygen content in the in the Zn (O, S) layer eventuates in large valence band offset, that descends Cu2ZnSn (S, Se)4 solar cell performance. We established an initial device model based on an experimental device with world record efficiencies of 12.6%. This study shows that most suitable heterojunction for ZnO1-xSx/Cu2ZnSn (Sy, Se1-y)4 solar cells is when sulfur content ranging 19%-50% in the Zn (O, S) and 30%-50% in the CZTSSe. The efficiency of Cu2ZnSn (S, Se)4 solar cells will be achieved to 14.3%.

Study of multi-dimensional radiative energy transfer in molecular gases

NASA Technical Reports Server (NTRS)

Liu, Jiwen; Tiwari, S. N.

1993-01-01

The Monte Carlo method (MCM) is applied to analyze radiative heat transfer in nongray gases. The nongray model employed is based on the statistical arrow band model with an exponential-tailed inverse intensity distribution. Consideration of spectral correlation results in some distinguishing features of the Monte Carlo formulations. Validation of the Monte Carlo formulations has been conducted by comparing results of this method with other solutions. Extension of a one-dimensional problem to a multi-dimensional problem requires some special treatments in the Monte Carlo analysis. Use of different assumptions results in different sets of Monte Carlo formulations. The nongray narrow band formulations provide the most accurate results.

Polycrystalline ZrTe{sub 5} Parameterized as a Narrow Band Gap Semiconductor for Thermoelectric Performance.

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

Miller, Samuel A.; Witting, Ian; Aydemir, Umut

The transition-metal pentatellurides HfTe5 and ZrTe5 have been studied for their exotic transport properties with much debate over the transport mechanism, band gap, and cause of the resistivity behavior, including a large low-temperature resistivity peak. Single crystals grown by the chemical-vapor-transport method have shown an n-p transition of the Seebeck coefficient at the same temperature as a peak in the resistivity. We show that behavior similar to that of single crystals can be observed in iodine-doped polycrystalline samples but that undoped polycrystalline samples exhibit drastically different properties: they are p type over the entire temperature range. Additionally, the thermal conductivitymore » for polycrystalline samples is much lower, 1.5 Wm -1 K -1, than previously reported for single crystals. It is found that the polycrystalline ZrTe 5 system can be modeled as a simple semiconductor with conduction and valence bands both contributing to transport, separated by a band gap of 20 meV. This model demonstrates to first order that a simple two-band model can explain the transition from n- to p-type behavior and the cause of the anomalous resistivity peak. Combined with the experimental data, the two-band model shows that carrier concentration variation is responsible for differences in behavior between samples. Using the twoband model, the thermoelectric performance at different doping levels is predicted, finding zT =0.2 and 0.1 for p and n type, respectively, at 300 K, and zT= 0.23 and 0.32 for p and n type at 600 K. Given the reasonably high zT that is comparable in magnitude for both n and p type, a thermoelectric device with a single compound used for both legs is feasible.« less

Exploring function activated chlorins using MCD spectroscopy and DFT methods: design of a chlorin with a remarkably intense, red Q band.

PubMed

Zhang, Angel; Stillman, Martin J

2018-05-09

The electronic structures of three previously synthesized Ni-coordinated chlorins with β-substituents of thioketone, fluorene, and ketone were investigated using magnetic circular dichroism spectroscopy (MCD) and density functional theory (DFT) for potential application as sensitizers for dye-sensitized solar cells (DSSCs). Computational studies on modeled Zn-coordinated chlorins allowed identification of charge transfer and d-d transitions of the Ni2+ coordinated chlorins. Two fictive Zn chlorins, M1 and M2, were designed with thiophene units based on the fluorene substituted chlorin. Substitution with thiophene altered the typical arrangement of the four Gouterman molecular orbitals (MOs) and red-shifted and greatly intensified the lowest energy absorption band (the Q band). The introduction of the thiophene-based MO as the LUMO below the usual Gouterman LUMO is predicted to increase the efficiency of electron transfer from the dye to the conduction band of the semiconductor in DSSCs. The addition of a donor group on the opposite pyrrole (M2) red-shifted the Q band further and introduced a donor-based MO between the typical Gouterman HOMO and HOMO-1. Despite the relatively small ΔHOMO, M1 and M2 exhibited remarkably intense Q bands. M2 would be a possible candidate for application in DSSCs due to its panchromatic absorption, intense and red-shifted Q band, and the presence of the substituent based MO properties. Another indicator of a successful dye is the alignment of the ground state and excited state oxidation potentials (GSOP and ESOP, respectively) with respect to the conduction band of the semiconductor. The GSOP for M2 lies 0.55 eV below the I-/I3- redox potential and the ESOP lies 0.48 eV above the TiO2 conduction band. The impact of the thiophene dominance in the LUMO also supports the prediction of efficient sensitization properties. The remarkably intense Q band of M2 predicted to be at 777 nm with a ΔHOMO of just 1.04 eV provides a synthetic route to tetrapyrroles with extremely intense, red Q bands without the need for aza nitrogens of the phthalocyanines. This study illustrates the value of guided synthesis using MCD spectral analysis and computational methods for optimizing the design of porphyrin dyes.

Probability of Two-Step Photoexcitation of Electron from Valence Band to Conduction Band through Doping Level in TiO2.

PubMed

Nishikawa, Masami; Shiroishi, Wataru; Honghao, Hou; Suizu, Hiroshi; Nagai, Hideyuki; Saito, Nobuo

2017-08-17

For an Ir-doped TiO 2 (Ir:TiO 2 ) photocatalyst, we examined the most dominant electron-transfer path for the visible-light-driven photocatalytic performance. The Ir:TiO 2 photocatalyst showed a much higher photocatalytic activity under visible-light irradiation than nondoped TiO 2 after grafting with the cocatalyst of Fe 3+ . For the Ir:TiO 2 photocatalyst, the two-step photoexcitation of an electron from the valence band to the conduction band through the Ir doping level occurred upon visible-light irradiation, as observed by electron spin resonance spectroscopy. The two-step photoexcitation through the doping level was found to be a more stable process with a lower recombination rate of hole-electron pairs than the two-step photoexcitation process through an oxygen vacancy. Once electrons are photoexcited to the conduction band by the two-step excitation, the electrons can easily transfer to the surface because the conduction band is a continuous electron path, whereas the electrons photoexcited at only the doping level could not easily transfer to the surface because of the discontinuity of this path. The observed two-step photoexcitation from the valence band to the conduction band through the doping level significantly contributes to the enhancement of the photocatalytic performance.

Emission properties of Ga2O3 nano-flakes: effect of excitation density.

PubMed

Pozina, G; Forsberg, M; Kaliteevski, M A; Hemmingsson, C

2017-02-08

In the quest of developing high performance electronic and optical devices and more cost effective fabrication processes of monoclinic β-Ga 2 O 3 , new growth techniques and fundamental electronic and optical properties of defects have to be explored. By heating of dissolved metallic Ga in HCl in a NH 3 and N 2 atmosphere, nano-flake films of monoclinic β-phase Ga 2 O 3 were grown as confirmed by XRD. From optical measurements, we observe two strong emissions. A red band peaking at ~2.0 eV and a UV band at ~3.8 eV. The band at ~2.0 eV is attributed to donor-acceptor pair recombination where the donor and acceptor level is suggested to be related to V O and nitrogen, respectively. By studying the dependence of the intensity of the UV band at 3.8 eV versus excitation density, a model is suggested. In the model, it is assumed that local potential fluctuations forming minima (maxima), where the carriers would be localized with a summarized band offset for conduction and valence band of 1 eV. The origin of the fluctuations is tentatively suggested to be related to micro-inclusions of different phases in the film.

Emission properties of Ga2O3 nano-flakes: effect of excitation density

PubMed Central

Pozina, G.; Forsberg, M.; Kaliteevski, M. A.; Hemmingsson, C.

2017-01-01

In the quest of developing high performance electronic and optical devices and more cost effective fabrication processes of monoclinic β-Ga2O3, new growth techniques and fundamental electronic and optical properties of defects have to be explored. By heating of dissolved metallic Ga in HCl in a NH3 and N2 atmosphere, nano-flake films of monoclinic β-phase Ga2O3 were grown as confirmed by XRD. From optical measurements, we observe two strong emissions. A red band peaking at ~2.0 eV and a UV band at ~3.8 eV. The band at ~2.0 eV is attributed to donor-acceptor pair recombination where the donor and acceptor level is suggested to be related to VO and nitrogen, respectively. By studying the dependence of the intensity of the UV band at 3.8 eV versus excitation density, a model is suggested. In the model, it is assumed that local potential fluctuations forming minima (maxima), where the carriers would be localized with a summarized band offset for conduction and valence band of 1 eV. The origin of the fluctuations is tentatively suggested to be related to micro-inclusions of different phases in the film. PMID:28176841

Density Functional Theory Calculation of the Band Alignment of (101̅0) In(x)Ga(1-x)N/Water Interfaces.

PubMed

Meng, Andrew C; Cheng, Jun; Sprik, Michiel

2016-03-03

Conduction band edge (CBE) and valence band edge (VBE) positions of InxGa1-xN photoelectrodes were computed using density functional theory methods. The band edges of fully solvated GaN and InN model systems were aligned with respect to the standard hydrogen electrode using a molecular dynamics hydrogen electrode scheme applied earlier to TiO2/water interfaces. Similar to the findings for TiO2, we found that the Purdew-Burke-Ernzerhof (PBE) functional gives a VBE potential which is too negative by 1 V. This cathodic bias is largely corrected by application of the Heyd-Scuseria-Ernzerhof (HSE06) hybrid functional containing a fraction of Hartree-Fock exchange. The effect of a change of composition was investigated using simplified model systems consisting of vacuum slabs covered on both sides by one monolayer of H2O. The CBE was found to vary linearly with In content. The VBE, in comparison, is much less sensitive to composition. The data show that the band edges straddle the hydrogen and oxygen evolution potentials for In fractions less than 47%. The band gap was found to exceed 2 eV for an In fraction less than 54%.

Exploring excitonic signal in optical conductivity of ZnO through first-order electron-hole vertex correction

NASA Astrophysics Data System (ADS)

Khoirunnisa, Humaira; Aziz Majidi, Muhammad

2018-04-01

The emergence of exitonic signal in the optical response of a wide band-gap semiconductor has been a common knowledge in physics. There have been numerous experimental studies exploring the important role of excitons on influencing both the transport and optical properties of the materials. Despite the existence of much information on excitonic effects, there has not been much literature that explores detailed theoretical explanation on how the exitonic signal appears and how it evolves with temperature. Here, we propose a theoretical study on the optical conductivity of ZnO, a well-known wide band-gap semiconductor that we choose as a case study. ZnO has been known to exhibit excitonic states in its optical spectra in the energy range of ∼3.13-3.41 eV, with a high exciton binding energy of ∼60 meV. An experimental study on ZnO in 2014 revealed such a signal in its optical conductivity spectrum. We present a theoretical investigation on the appearance of excitonic signal in optical conductivity of ZnO. We model the wurtzite ZnO within an 8-band k.p approximation. We calculate the optical conductivity by incorporating the first-order vertex correction derived from the Feynman diagrams. Our calculation up to the first-order correction spectrum qualitatively confirms the existence of excitons in wurtzite ZnO.

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

PubMed

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

2006-12-15

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

Measurement of InAsSb bandgap energy and InAs/InAsSb band edge positions using spectroscopic ellipsometry and photoluminescence spectroscopy

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

Charge retention in scaled SONOS nonvolatile semiconductor memory devices—Modeling and characterization

NASA Astrophysics Data System (ADS)

Hu, Yin; White, Marvin H.

1993-10-01

A new analytical model is developed to investigate the influence of the charge loss processes in the retention mode of the SONOS NVSM device. The model considers charge loss by the following processes: (1) electron back-tunneling from the nitride traps to the Si conduction band, (2) electron back-tunneling from the nitride traps to the Si/SiO 2 interface traps and (3) hole injection from the Si valence band to the nitride traps. An amphoteric trap charge distribution is used in this model. The new charge retention model predicts that process (1) determines the short term retention, while processes (2) and (3) determine the long term retention. Good agreement has been reached between the results of analytical calculations and the experimental retention data on both surface channel and buried channel SONOS devices.

Heat conduction tuning by hyperbranched nanophononic metamaterials

NASA Astrophysics Data System (ADS)

Li, Bing; Tan, K. T.; Christensen, Johan

2018-05-01

Phonon dispersion and thermal conduction properties of hyperbranched nanostructures with unique topological complexity are theoretically and numerically investigated in this research. We present analytical cantilever-in-mass models to analyze and control the inherent resonance hybridization in hyperbranched nanomembranes containing different configurations and cross sections. We show that these local resonances hosted by hyperbranched nanopillars can generate numerous flat bands in the phonon dispersion relation and dramatically lower the group velocities, consequently resulting in a significant reduction of the thermal conductivity. The applicability of the proposed analytical models in thermal conductivity tuning is demonstrated, and a superior performance in reducing the heat flux in nano-structured membranes is exhibited, which can potentially lead to improved thermoelectric energy conversion devices.

Neonate Auditory Brainstem Responses to CE-Chirp and CE-Chirp Octave Band Stimuli I: Versus Click and Tone Burst Stimuli.

PubMed

Cobb, Kensi M; Stuart, Andrew

The purpose of the study was to generate normative auditory brainstem response (ABR) wave component peak latency and amplitude values for neonates with air- and bone-conducted CE-Chirps and air-conducted CE-Chirp octave band stimuli (i.e., 500, 1000, 2000, and 4000 Hz). A second objective was to compare neonate ABRs to CE-Chirp stimuli with ABR responses to traditional click and tone burst stimuli with the same stimulus parameters. Participants were 168 healthy neonates. ABRs were obtained to air- and bone-conducted CE-Chirp and click stimuli and air-conducted CE-Chirp octave band and tone burst stimuli. The effects of stimulus level, rate, and polarity were examined with air-conducted CE-Chirps and clicks. The effect of stimulus level was also examined with bone-conducted CE-Chirps and clicks and air-conducted CE-Chirp octave band stimuli. In general, ABR wave V amplitudes to air- and bone-conducted CE-Chirp stimuli were significantly larger (p < 0.05) than those evoked to traditional click and tone burst stimuli. Systematic statistically significant (p < 0.05) wave V latency differences existed between the air- and bone-conducted CE-Chirp and CE-Chirp octave band stimuli relative to traditional click and tone burst stimuli. ABRs to air- and bone-conducted CE-Chirps and CE-Chirp octave band stimuli may be valuable in the assessment of newborn infants. However, the prognostic value of such stimuli needs to be validated.

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.

Verification of band offsets and electron effective masses in GaAsN/GaAs quantum wells: Spectroscopic experiment versus 10-band k·p modeling

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%.

Mapping Near-Surface Salinization Using Long-wavelength AIRSAR

NASA Technical Reports Server (NTRS)

Paine, Jeffery G.

2003-01-01

In May 1999, NASA's Jet Propulsion Laboratory acquired airborne synthetic aperture radar (AIRSAR) data over the Hatchel and Montague Test Sites in Texas. We analyzed P- and L-band polarimetric radar data from these AIRSAR missions to assess whether AIRSAR could be used as a rapid and remote platform for screening large areas at risk for near-surface soil and water salinization. Ongoing geological, geophysical, and hydrological studies at the Hatchel Test Site in Runnels County and the Montague Test Site in Montague County have demonstrated the utility of high-resolution airborne electromagnetic (EM) induction in mapping electrical conductivity changes that accompany shallow natural and oil-field related salinization at these sites in the Colorado and Red River basins. We compared AIRSAR and airborne EM data quantitatively by (1) selecting representative flight lines from airborne EM surveys of the Hatchel and Montague sites, (2) extracting measurement locations and apparent conductivities at the highest available EM frequency, (3) identifying and extracting all P- and L-band backscatter intensities for all locations within 5 m of an airborne EM measurement, and (4) examining the spatial and magnitude relationships between apparent conductivity and all radar polarization and polarization-ratio combinations. For both test sites, backscatter intensity in all individual P- and L-band polarizations was slightly negatively correlated with apparent conductivity. In most modes this was manifested as a decrease in the range and magnitude of backscatter intensity as apparent conductivity increased. Select single-band and cross-band polarization ratios exhibited somewhat higher correlation with apparent conductivity by partly diminishing the dominance of the vegetation contribution to V backscatter intensity. The highest correlation with conductivity was obtained using the L-band vertical- to cross-polarization ratio, the P-band vertical- to L-band cross-polarization ratio, and the P-band vertical-to cross-polarization ratio. These correlations were higher for the more arid (and less electrically conductive) Hatchel Test Site than they were for the Montague Test Site.

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

NASA Technical Reports Server (NTRS)

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

1995-01-01

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

Bandgap engineering through nanocrystalline magnetic alloy grafting on reduced graphene oxide.

PubMed

De, D; Chakraborty, M; Majumdar, S; Giri, S

2014-09-28

High conductivity and the absence of ferromagnetism in pristine graphene fail to satisfy primary criteria for possible technological application in spintronics. Opening of the bandgap in graphene is primarily desirable for such applications. We report a simplified and novel approach of controlled grafting of a magnetic alloy on reduced graphene oxide. This eventually leads to ferromagnetism of the stable hybrid material at room temperature, with a large moment (∼1.2 μB) and a remarkable decrease in conductivity (∼10 times) compared to highly ordered pyrolytic graphite. Our model band-structure calculation indicates that the combined effect of controlled vacancies and impurities attributed to the nanocrystalline alloy grafting leads to a promising step toward band gap engineering.

Fabrication of reduced graphene oxide nanosheets doped PVA composite films for tailoring their opto-mechanical properties

NASA Astrophysics Data System (ADS)

Aslam, Muhammad; Kalyar, Mazhar Ali; Raza, Zulfiqar Ali

2017-06-01

Laminar graphene nanosheets have raised passionate attention due to their incredible physico-chemical properties. Its wide-scale, high-yield production at low-cost has made it possible to produce top class promising versatile polymer nanocomposites. Reduced graphene oxide (RGO) nanosheets were incorporated to prepare optically tunable and high mechanical strength polymer nanocomposite films. RGO-doped poly(vinyl alcohol) (PVA) nanocomposite films were prepared via solution casting. Low level RGO doping significantly altered the structural, optical and mechanical properties of pure PVA films. Most of the band structure parameters like direct/indirect band gap, band tail, refractive index, dielectric constant, optical conductivity and dispersion parameters were investigated in detail for the first time. Tauc's, Wemple-DiDomenico, Helpin-Tsai and mixture rule models were employed to investigate optical and mechanical parameters. The applied models reinforced the experimental results in the present study. Advanced analytical techniques were engaged to characterize the nanocomposites films.

Optical and electrical properties of heavily indium-doped CdS around the semiconductor-metal phase transition

NASA Astrophysics Data System (ADS)

Broser, I.; Broser, R.; Birkicht, E.

1990-04-01

Heavily indium-doped CdS crystals are studied by comparing their optical and electrical properties. It is shown that in the near infrared spectral region for highly conducting crystals the correlation of electrical conductivity and optical effects can still be understood in the frame of the classical Drude-Lorentz model. Even for high doping the relaxation time τ and the effective mass m ∗ of the electrons are not markedly different from the room temperature values of "pure" crystals. At photon energies near the band gap, however, optical spectra in transmission, reflectivity, and emission show clearly the existence of band-tails and screening effects. A different situation holds for a highly compensated specimen: They are in a wide temperature region highly isolating, show activated photoconductivity and special structures in the optical spectra near the band gap. Their properties can be explained by assuming a meandering bandbending due to the combined action of donors and acceptors and the assumption of spatially isolated electron and hole droplets [6].

3D-Printed Detector Band for Magnetic Off-Plane Flux Measurements in Laminated Machine Cores

PubMed Central

Pfützner, Helmut; Palkovits, Martin; Windischhofer, Andreas; Giefing, Markus

2017-01-01

Laminated soft magnetic cores of transformers, rotating machines etc. may exhibit complex 3D flux distributions with pronounced normal fluxes (off-plane fluxes), perpendicular to the plane of magnetization. As recent research activities have shown, detections of off-plane fluxes tend to be essential for the optimization of core performances aiming at a reduction of core losses and of audible noise. Conventional sensors for off-plane flux measurements tend to be either of high thickness, influencing the measured fluxes significantly, or require laborious preparations. In the current work, thin novel detector bands for effective and simple off-plane flux detections in laminated machine cores were manufactured. They are printed in an automatic way by an in-house developed 3D/2D assembler. The latter enables a unique combination of conductive and non-conductive materials. The detector bands were effectively tested in the interior of a two-package, three-phase model transformer core. They proved to be mechanically resilient, even for strong clamping of the core. PMID:29257063

3D-Printed Detector Band for Magnetic Off-Plane Flux Measurements in Laminated Machine Cores.

PubMed

Shilyashki, Georgi; Pfützner, Helmut; Palkovits, Martin; Windischhofer, Andreas; Giefing, Markus

2017-12-19

Laminated soft magnetic cores of transformers, rotating machines etc. may exhibit complex 3D flux distributions with pronounced normal fluxes (off-plane fluxes), perpendicular to the plane of magnetization. As recent research activities have shown, detections of off-plane fluxes tend to be essential for the optimization of core performances aiming at a reduction of core losses and of audible noise. Conventional sensors for off-plane flux measurements tend to be either of high thickness, influencing the measured fluxes significantly, or require laborious preparations. In the current work, thin novel detector bands for effective and simple off-plane flux detections in laminated machine cores were manufactured. They are printed in an automatic way by an in-house developed 3D/2D assembler. The latter enables a unique combination of conductive and non-conductive materials. The detector bands were effectively tested in the interior of a two-package, three-phase model transformer core. They proved to be mechanically resilient, even for strong clamping of the core.

F-16XL and F-18 High Speed Acoustic Flight Test Databases

NASA Technical Reports Server (NTRS)

Kelly, J. J.; Wilson, M. R.; Rawls, J., Jr.; Norum, T. D.; Golub, R. A.

1999-01-01

This report presents the recorded acoustic data and the computed narrow-band and 1/3-octave band spectra produced by F-18 and F-16XL aircraft in subsonic flight over an acoustic array. Both broadband-shock noise and turbulent mixing noise are observed in the spectra. Radar and c-band tracking systems provided the aircraft position which enabled directivity and smear angles from the aircraft to each microphone to be computed. These angles are based on source emission time and thus give some idea about the directivity of the radiated sound field due to jet noise. A follow-on static test was also conducted where acoustic and engine data were obtained. The acoustic data described in the report has application to community noise analysis, noise source characterization and validation of prediction models. A detailed description of the signal processing procedures is provided. Follow-on static tests of each aircraft were also conducted for which engine data and far-field acoustic data are presented.

Electronic structure and p-type doping of ZnSnN2

NASA Astrophysics Data System (ADS)

Wang, Tianshi; Janotti, Anderson; Ni, Chaoying

ZnSnN2 is a promising solar-cell absorber material composed of earth abundant elements. Little is known about doping, defects, and how the valence and conduction bands in this material align with the bands in other semiconductors. Using density functional theory with the the Heyd-Scuseria-Ernzerhof hybrid functional (HSE06), we investigate the electronic structure of ZnSnN2, its band alignment to other semiconductors, such as GaN and ZnO, the possibility of p-type doping, and the possible causes of the observed unintentional n-type conductivity. We find that the position of the valence-band maximum of ZnSnN2 is 0.55 eV higher than that of GaN, yet the conduction-band minimum is close to that in ZnO. As possible p-type dopants, we explore Li, Na, and K substituting on the Zn site. Finally, we discuss the cause of unintentional n-type conductivity by analyzing the position of the conduction-band minimum with respect to that of GaN and ZnO.

Effects of Conductor Baton Use on Band and Choral Musicians' Perceptions of Conductor Expressivity and Clarity

ERIC Educational Resources Information Center

Nápoles, Jessica; Silvey, Brian A.

2017-01-01

The purpose of this study was to examine participants' (college band and choral musicians, N = 143) perceptions of conductor clarity and expressivity after viewing band and choral directors conducting with or without a baton. One band and one choral conductor each prepared and conducted two excerpts of Guy Forbes's "O Nata Lux", a piece…

The thermopower in the temperature range T(sub c)-1000K and the bank spectrum of Bi-based superconductors

NASA Technical Reports Server (NTRS)

Gasumyants, V. E.; Vladimirskaya, E. V.; Smirnov, V. I.; Kazanskiy, S. V.

1995-01-01

The temperature dependencies of thermopower, S, in the range T = T(sub c)-1000K as well as of resistivity and Hall coefficient in the range T = T(sub c)-300K for the single-phase ceramic samples Bi2Sr2Ca(1-x)Nd(x)Cu2O(y) have been measured. It was found that the S(T) dependencies in normal phase have three characteristic regions. Despite the fact that the S(T) dependencies in Bi-based high-T(sub c) superconductors (HTSC) differ essentially from ones in Y-based HTSC at T = T(sub c)-300K, the main feature of theirs (S(T) = const at high temperatures) retains in samples investigated at T is greater than 620K. The results obtained have been analyzed on the basis of the narrow-band model with the use of assumption of slight asymmetry of the conductive band. The band spectrum parameters of the samples studied have been calculated. An analysis of the tendencies in these parameters changes with samples composition varying enables to make the conclusion about the similarity of the main features of the conductive band structure in Y- and Bi-based HTSC.

Topological Anderson insulator phase in a Dirac-semimetal thin film

NASA Astrophysics Data System (ADS)

Chen, Rui; Xu, Dong-Hui; Zhou, Bin

2017-06-01

The recently discovered topological Dirac semimetal represents a new exotic quantum state of matter. Topological Dirac semimetals can be viewed as three-dimensional analogues of graphene, in which the Dirac nodes are protected by crystalline symmetry. It has been found that the quantum confinement effect can gap out Dirac nodes and convert Dirac semimetal to a band insulator. The band insulator is either a normal insulator or quantum spin Hall insulator, depending on the thin-film thickness. We present the study of disorder effects in a thin film of Dirac semimetals. It is found that moderate Anderson disorder strength can drive a topological phase transition from a normal band insulator to a topological Anderson insulator in a Dirac-semimetal thin film. The numerical calculation based on the model parameters of Dirac semimetal Na3Bi shows that in the topological Anderson insulator phase, a quantized conductance plateau occurs in the bulk gap of the band insulator, and the distributions of local currents further confirm that the quantized conductance plateau arises from the helical edge states induced by disorder. Finally, an effective medium theory based on the Born approximation fits the numerical data.

Micro-Mechanical Analysis About Kink Band in Carbon Fiber/Epoxy Composites Under Longitudinal Compression

NASA Astrophysics Data System (ADS)

Zhang, Mi; Guan, Zhidong; Wang, Xiaodong; Du, Shanyi

2017-10-01

Kink band is a typical phenomenon for composites under longitudinal compression. In this paper, theoretical analysis and finite element simulation were conducted to analyze kink angle as well as compressive strength of composites. Kink angle was considered to be an important character throughout longitudinal compression process. Three factors including plastic matrix, initial fiber misalignment and rotation due to loading were considered for theoretical analysis. Besides, the relationship between kink angle and fiber volume fraction was improved and optimized by theoretical derivation. In addition, finite element models considering fiber stochastic strength and Drucker-Prager constitutive model for matrix were conducted in ABAQUS to analyze kink band formation process, which corresponded with the experimental results. Through simulation, the loading and failure procedure can be evidently divided into three stages: elastic stage, softening stage, and fiber break stage. It also shows that kink band is a result of fiber misalignment and plastic matrix. Different values of initial fiber misalignment angle, wavelength and fiber volume fraction were considered to explore the effects on compressive strength and kink angle. Results show that compressive strength increases with the decreasing of initial fiber misalignment angle, the decreasing of initial fiber misalignment wavelength and the increasing of fiber volume fraction, while kink angle decreases in these situations. Orthogonal array in statistics was also built to distinguish the effect degree of these factors. It indicates that initial fiber misalignment angle has the largest impact on compressive strength and kink angle.

Clusterization Effects in III-V Nitrides: Nitrogen Vacancies, and Si and Mg Impurities in Aluminum Nitride and Gallium Nitride

NASA Astrophysics Data System (ADS)

Gubanov, V. A.; Pentaleri, E. A.; Boekema, C.; Fong, C. Y.; Klein, B. M.

1997-03-01

We have investigated clusterization of nitrogen vacancies and Si and Mg doping impurities in zinc-blende aluminum nitride (c-AlN) and gallium nitride (c-GaN) by the tight-binding LMTO technique. The calculations used 128-site supercells. Si and Mg atoms replacing ions in both the cation and anion sublattices of the host lattices of the host crystals have been considered. The Mg impurity at cation sites is found to form partially occupied states at the valence-band edge, and may result in p-type conductivity. When Si substitutes for Ga, the impurity band is formed at the conduction-band edge, resulting in n-type conductivity. Si impurities at cation sites, and Mg impurity at anion sites are able to form resonance states in the gap. The influence of impurity clusterization in the host lattice and interstitial sites on electronic properties of c-AlN and c-GaN crystals are modeled. The changes in vacancy- and impurity-state energies, bonding type, localization, density of states at the Fermi level in different host lattices, their dependence on impurity/vacancy concentration are analyzed and compared with the experimental data.

Electronic transport in gadolinium atomic-size contacts

NASA Astrophysics Data System (ADS)

Olivera, B.; Salgado, C.; Lado, J. L.; Karimi, A.; Henkel, V.; Scheer, E.; Fernández-Rossier, J.; Palacios, J. J.; Untiedt, C.

2017-02-01

We report on the fabrication, transport measurements, and density functional theory (DFT) calculations of atomic-size contacts made of gadolinium (Gd). Gd is known to have local moments mainly associated with f electrons. These coexist with itinerant s and d bands that account for its metallic character. Here we explore whether and how the local moments influence electronic transport properties at the atomic scale. Using both scanning tunneling microscope and lithographic mechanically controllable break junction techniques under cryogenic conditions, we study the conductance of Gd when only few atoms form the junction between bulk electrodes made of the very same material. Thousands of measurements show that Gd has an average lowest conductance, attributed to single-atom contact, below 2/e2 h . Our DFT calculations for monostrand chains anticipate that the f bands are fully spin polarized and insulating and that the conduction may be dominated by s , p , and d bands. We also analyze the electronic transport for model nanocontacts using the nonequilibrium Green's function formalism in combination with DFT. We obtain an overall good agreement with the experimental results for zero bias and show that the contribution to the electronic transport from the f channels is negligible and that from the d channels is marginal.

Influence of Bi-related impurity states on the bandgap and spin-orbit splitting energy of dilute III-V-Bi alloys: InP1-xBix, InAs1-xBix, InSb1-xBix and GaSb1-xBix

NASA Astrophysics Data System (ADS)

Samajdar, D. P.; Dhar, S.

2016-01-01

Valence Band Anticrossing (VBAC) Model is used to calculate the changes in band structure of Bi containing alloys such as InP1-xBix, InAs1-xBix, InSb1-xBix and GaSb1-xBix due to the incorporation of dilute concentrations of bismuth. The coupling parameter CBi which gives the magnitude of interaction of Bi impurity states with the LH, HH and SO sub bands in VBAC depends on the increase in the HH/LH related energy level EHH/LH+, location of the Bi related impurity level EBi and valence band offset ΔEVBM between the endpoint compounds in the corresponding III-V-Bi. The reduction in band gap as well as the enhancement of the spin-orbit splitting energy is well explained using this model and the calculated results are compared with the results of Virtual Crystal Approximation (VCA) and Density Functional Theory (DFT) calculations, as well as with the available experimental data and are found to have good agreement. The incorporation of Bi mainly perturbs the valence band due to the interaction of the Bi impurity states with the HH, LH and SO bands. The lowering of the conduction band minimum (CBM) due to VCA is added with the upward movement of the HH/LH bands to get the total reduction in band gap for the bismides. The valence band shifts of 31.9, 32.5, 20.8 and 12.4 meV/at%Bi for InP1-xBix, InAs1-xBix, InSb1-xBix and GaSb1-xBix respectively constitute 65, 76, 59 and 31% of the total band gap reduction and the rest is the contribution of the conduction band shift. The spin-orbit splitting energy also shows significant increase with the maximum change in InPBi and the minimum in InSbBi. The same is true for Ga containing bismides if we make a comparison with the available values for GaAsBi and GaPBi with that of GaSbBi. It has also been observed that the increase in splitting energy is greater in case of the bismides such as InAsBi, InPBi and GaAsBi than the bismides such as InSbBi and GaSbBi with the parent substrates having higher values of splitting energy. This may be due to the proximity of the Bi related impurity level EBi with the SO bands of InAs, InP and GaAs.

Measuring the band structures of periodic beams using the wave superposition method

NASA Astrophysics Data System (ADS)

Junyi, L.; Ruffini, V.; Balint, D.

2016-11-01

Phononic crystals and elastic metamaterials are artificially engineered periodic structures that have several interesting properties, such as negative effective stiffness in certain frequency ranges. An interesting property of phononic crystals and elastic metamaterials is the presence of band gaps, which are bands of frequencies where elastic waves cannot propagate. The presence of band gaps gives this class of materials the potential to be used as vibration isolators. In many studies, the band structures were used to evaluate the band gaps. The presence of band gaps in a finite structure is commonly validated by measuring the frequency response as there are no direct methods of measuring the band structures. In this study, an experiment was conducted to determine the band structure of one dimension phononic crystals with two wave modes, such as a bi-material beam, using the frequency response at only 6 points to validate the wave superposition method (WSM) introduced in a previous study. A bi-material beam and an aluminium beam with varying geometry were studied. The experiment was performed by hanging the beams freely, exciting one end of the beams, and measuring the acceleration at consecutive unit cells. The measured transfer function of the beams agrees with the analytical solutions but minor discrepancies. The band structure was then determined using WSM and the band structure of one set of the waves was found to agree well with the analytical solutions. The measurements taken for the other set of waves, which are the evanescent waves in the bi-material beams, were inaccurate and noisy. The transfer functions at additional points of one of the beams were calculated from the measured band structure using WSM. The calculated transfer function agrees with the measured results except at the frequencies where the band structure was inaccurate. Lastly, a study of the potential sources of errors was also conducted using finite element modelling and the errors in the dispersion curve measured from the experiments were deduced to be a result of a combination of measurement noise, the different placement of the accelerometer with finite mass, and the torsional mode.

Correlation-driven charge order at the interface between a Mott and a band insulator.

PubMed

Pentcheva, Rossitza; Pickett, Warren E

2007-07-06

To study digital Mott insulator LaTiO3 and band insulator SrTiO3 interfaces, we apply correlated band theory within the local density approximation including a Hubbard U to (n, m) multilayers, 1

Hopping and band mobilities of pentacene, rubrene, and 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C8-BTBT) from first principle calculations.

PubMed

Kobayashi, Hajime; Kobayashi, Norihito; Hosoi, Shizuka; Koshitani, Naoki; Murakami, Daisuke; Shirasawa, Raku; Kudo, Yoshihiro; Hobara, Daisuke; Tokita, Yuichi; Itabashi, Masao

2013-07-07

Hopping and band mobilities of holes in organic semiconductors at room temperature were estimated from first principle calculations. Relaxation times of charge carriers were evaluated using the acoustic deformation potential model. It is found that van der Waals interactions play an important role in determining accurate relaxation times. The hopping mobilities of pentacene, rubrene, and 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C8-BTBT) in bulk single crystalline structures were found to be smaller than 4 cm(2)∕Vs, whereas the band mobilities were estimated between 36 and 58 cm(2)∕Vs, which are close to the maximum reported experimental values. This strongly suggests that band conductivity is dominant in these materials even at room temperature.

Thermal conductivity of graphene nanoribbons under shear deformation: A molecular dynamics simulation

PubMed Central

Zhang, Chao; Hao, Xiao-Li; Wang, Cui-Xia; Wei, Ning; Rabczuk, Timon

2017-01-01

Tensile strain and compress strain can greatly affect the thermal conductivity of graphene nanoribbons (GNRs). However, the effect of GNRs under shear strain, which is also one of the main strain effect, has not been studied systematically yet. In this work, we employ reverse nonequilibrium molecular dynamics (RNEMD) to the systematical study of the thermal conductivity of GNRs (with model size of 4 nm × 15 nm) under the shear strain. Our studies show that the thermal conductivity of GNRs is not sensitive to the shear strain, and the thermal conductivity decreases only 12–16% before the pristine structure is broken. Furthermore, the phonon frequency and the change of the micro-structure of GNRs, such as band angel and bond length, are analyzed to explore the tendency of thermal conductivity. The results show that the main influence of shear strain is on the in-plane phonon density of states (PDOS), whose G band (higher frequency peaks) moved to the low frequency, thus the thermal conductivity is decreased. The unique thermal properties of GNRs under shear strains suggest their great potentials for graphene nanodevices and great potentials in the thermal managements and thermoelectric applications. PMID:28120921

External electric field driven modification of the anomalous and spin Hall conductivities in Fe thin films on MgO(001)

NASA Astrophysics Data System (ADS)

Pradipto, Abdul-Muizz; Akiyama, Toru; Ito, Tomonori; Nakamura, Kohji

2018-01-01

The effects of applying external electric fields to the anomalous and spin Hall conductivities in Fe thin-film models with different layer thicknesses on MgO(001) are investigated by using first-principles calculations. We observe that, for the considered systems, the application of positive electric field associated with the accumulation of negative charges on the Fe side generally decreases (increases) the anomalous (spin) Hall conductivities. The mapping of the Hall conductivities within the two-dimensional Brillouin zone shows that the electric-field-induced modifications are related to the modification of the band structures of the atoms at the interface with the MgO substrate. In particular, the external electric field affects the Hall conductivities via the modifications of the dx z,dy z orbitals, in which the application of positive electric field pushes the minority-spin states of the dx z,dy z bands closer to the Fermi level. Better agreement with the anomalous Hall conductivity for bulk Fe and a more realistic scenario for the electric field modification of Hall conductivities are obtained by using the thicker layers of Fe on MgO (Fe3/MgO and Fe5/MgO).

Modelling soil salinity in Oued El Abid watershed, Morocco

NASA Astrophysics Data System (ADS)

Mouatassime Sabri, El; Boukdir, Ahmed; Karaoui, Ismail; Arioua, Abdelkrim; Messlouhi, Rachid; El Amrani Idrissi, Abdelkhalek

2018-05-01

Soil salinisation is a phenomenon considered to be a real threat to natural resources in semi-arid climates. The phenomenon is controlled by soil (texture, depth, slope etc.), anthropogenic factors (drainage system, irrigation, crops types, etc.), and climate factors. This study was conducted in the watershed of Oued El Abid in the region of Beni Mellal-Khenifra, aimed at localising saline soil using remote sensing and a regression model. The spectral indices were extracted from Landsat imagery (30 m resolution). A linear correlation of electrical conductivity, which was calculated based on soil samples (ECs), and the values extracted based on spectral bands showed a high accuracy with an R2 (Root square) of 0.80. This study proposes a new spectral salinity index using Landsat bands B1 and B4. This hydro-chemical and statistical study, based on a yearlong survey, showed a moderate amount of salinity, which threatens dam water quality. The results present an improved ability to use remote sensing and regression model integration to detect soil salinity with high accuracy and low cost, and permit intervention at an early stage of salinisation.

Accurate Energy Consumption Modeling of IEEE 802.15.4e TSCH Using Dual-BandOpenMote Hardware.

PubMed

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

PubMed Central

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

Performance characteristics of a perforated shadow band under clear sky conditions

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

Brooks, Michael J.

2010-12-15

A perforated, non-rotating shadow band is described for separating global solar irradiance into its diffuse and direct normal components using a single pyranometer. Whereas shadow bands are normally solid so as to occult the sensor of a pyranometer throughout the day, the proposed band has apertures cut from its circumference to intermittently expose the instrument sensor at preset intervals. Under clear sky conditions the device produces a saw tooth waveform of irradiance data from which it is possible to reconstruct separate global and diffuse curves. The direct normal irradiance may then be calculated giving a complete breakdown of the irradiancemore » curves without need of a second instrument or rotating shadow band. This paper describes the principle of operation of the band and gives a mathematical model of its shading mask based on the results of an optical ray tracing study. An algorithm for processing the data from the perforated band system is described and evaluated. In an extended trial conducted at NREL's Solar Radiation Research Laboratory, the band coupled with a thermally corrected Eppley PSP produced independent curves for diffuse, global and direct normal irradiance with low mean bias errors of 5.6 W/m{sup 2}, 0.3 W/m{sup 2} and -2.6 W/m{sup 2} respectively, relative to collocated reference instruments. Random uncertainties were 9.7 W/m{sup 2} (diffuse), 17.3 W/m{sup 2} (global) and 19.0 W/m{sup 2} (direct). When the data processing algorithm was modified to include the ray trace model of sensor exposure, uncertainties increased only marginally, confirming the effectiveness of the model. Deployment of the perforated band system can potentially increase the accuracy of data from ground stations in predominantly sunny areas where instrumentation is limited to a single pyranometer. (author)« less

Topological magnons in a one-dimensional itinerant flatband ferromagnet

NASA Astrophysics Data System (ADS)

Su, Xiao-Fei; Gu, Zhao-Long; Dong, Zhao-Yang; Li, Jian-Xin

2018-06-01

Different from previous scenarios that topological magnons emerge in local spin models, we propose an alternative that itinerant electron magnets can host topological magnons. A one-dimensional Tasaki model with a flatband is considered as the prototype. This model can be viewed as a quarter-filled periodic Anderson model with impurities located in between and hybridizing with the nearest-neighbor conducting electrons, together with a Hubbard repulsion for these electrons. By increasing the Hubbard interaction, the gap between the acoustic and optical magnons closes and reopens while the Berry phase of the acoustic band changes from 0 to π , leading to the occurrence of a topological transition. After this transition, there always exist in-gap edge magnonic modes, which is consistent with the bulk-edge correspondence. The Hubbard interaction-driven transition reveals a new mechanism to realize nontrivial magnon bands.

FT-IR spectrum of grape seed oil and quantum models of fatty acids triglycerides

NASA Astrophysics Data System (ADS)

Berezin, K. V.; Antonova, E. M.; Shagautdinova, I. T.; Chernavina, M. L.; Dvoretskiy, K. N.; Grechukhina, O. N.; Vasilyeva, L. M.; Rybakov, A. V.; Likhter, A. M.

2018-04-01

FT-IR spectra of grape seed oil and glycerol were registered in the 650-4000 cm-1 range. Molecular models of glycerol and some fatty acids that compose the oil under study - linoleic, oleic, palmitic and stearic acids - as well as their triglycerides were developed within B3LYP/6-31G(d) density functional model. A vibrating FT-IR spectrum of grape seed oil was modeled on the basis of calculated values of vibrating wave numbers and IR intensities of the fatty acids triglycerides and with regard to their percentage. Triglyceride spectral bands that were formed by glycerol linkage vibrations were revealed. It was identified that triglycerol linkage has a small impact on the structure of fatty acids and, consequently, on vibrating wave numbers. The conducted molecular modeling became a basis for theoretical interpretation on 10 experimentally observed absorption bands in FT-IR spectrum of grape seed oil.

Origin of and tuning the optical and fundamental band gaps in transparent conducting oxides: The case of M2O3(M =Al ,Ga ,In )

NASA Astrophysics Data System (ADS)

Sabino, Fernando P.; Besse, Rafael; Oliveira, Luiz Nunes; Wei, Su-Huai; Da Silva, Juarez L. F.

2015-11-01

Good transparent conducting oxides (TCOs), such as In2O3 :Sn (ITO), usually combine large optical band gaps, essential for high transparency, with relatively small fundamental band gaps due to low conduction-band minima, which favor n -type doping and enhance the electrical conductivity. It has been understood that the optical band gaps are wider than the fundamental band gaps because optical transitions between the band-edge states are forbidden. The mechanism blocking such transitions, which can play a crucial role in the designing of alternative TCOs, nonetheless remains obscure. Here, based on first-principles density functional theory calculations and symmetry analysis of three oxides, M2O3 (M =Al ,Ga ,In ), we identify the physical origin of the gap disparities. Three conditions are necessary: (1) the crystal structure must have global inversion symmetry; (2) in order to belong to the Ag or A1 g irreducible representations, the states at the conduction-band minimum must have cation and oxygen s character; (3) in order to have g parity, the oxygen p orbitals constituting the states near the valence-band maximum must be strongly coupled to the cation d orbitals. Under these conditions, optical excitations across the fundamental gap will be forbidden. The three criteria explain the trends in the M2O3 (M =Al,Ga,In) sequence, in particular, explaining why In2O3 in the bixbyite structure yields the highest figure of merit. Our study provides guidelines expected to be instrumental in the search for new TCO materials.

INFLUENCE OF THE CHEMICAL POTENTIAL ON THE CARRIER EFFECTIVE MASS IN THE THERMOELECTRIC SOLID SOLUTION Cu2Zn1-xFexGeSe4

NASA Astrophysics Data System (ADS)

Zeier, Wolfgang G.; Day, Tristan; Schechtel, Eugen; Snyder, G. Jeffrey; Tremel, Wolfgang

2013-08-01

In this paper, we describe the synthesis and characterization of the solid solution Cu2Zn1-xFexGeSe4. Electronic transport data have been analyzed using a single parabolic band model and have been compared to Cu2+xZn1-xGeSe4. The effective mass of these undoped, intrinsically hole conducting materials increases linearly with increasing carrier concentration, showing a non-parabolic transport behavior within the valence band.

Simultaneous use of mark-recapture and radiotelemetry to estimate survival, movement, and capture rates

USGS Publications Warehouse

Powell, L.A.; Conroy, M.J.; Hines, J.E.; Nichols, J.D.; Krementz, D.G.

2000-01-01

Biologists often estimate separate survival and movement rates from radio-telemetry and mark-recapture data from the same study population. We describe a method for combining these data types in a single model to obtain joint, potentially less biased estimates of survival and movement that use all available data. We furnish an example using wood thrushes (Hylocichla mustelina) captured at the Piedmont National Wildlife Refuge in central Georgia in 1996. The model structure allows estimation of survival and capture probabilities, as well as estimation of movements away from and into the study area. In addition, the model structure provides many possibilities for hypothesis testing. Using the combined model structure, we estimated that wood thrush weekly survival was 0.989 ? 0.007 ( ?SE). Survival rates of banded and radio-marked individuals were not different (alpha hat [S_radioed, ~ S_banded]=log [S hat _radioed/ S hat _banded]=0.0239 ? 0.0435). Fidelity rates (weekly probability of remaining in a stratum) did not differ between geographic strata (psi hat=0.911 ? 0.020; alpha hat [psi11, psi22]=0.0161 ? 0.047), and recapture rates ( = 0.097 ? 0.016) banded and radio-marked individuals were not different (alpha hat [p_radioed, p_banded]=0.145 ? 0.655). Combining these data types in a common model resulted in more precise estimates of movement and recapture rates than separate estimation, but ability to detect stratum or mark-specific differences in parameters was week. We conducted simulation trials to investigate the effects of varying study designs on parameter accuracy and statistical power to detect important differences. Parameter accuracy was high (relative bias [RBIAS] <2 %) and confidence interval coverage close to nominal, except for survival estimates of banded birds for the 'off study area' stratum, which were negatively biased (RBIAS -7 to -15%) when sample sizes were small (5-10 banded or radioed animals 'released' per time interval). To provide adequate data for useful inference from this model, study designs should seek a minimum of 25 animals of each marking type observed (marked or observed via telemetry) in each time period and geographic stratum.

Electron affinities and ionization energies of Cu and Ag delafossite compounds: A hybrid functional study

NASA Astrophysics Data System (ADS)

Miao, Mao-Sheng; Yarbro, Sam; Barton, Phillip T.; Seshadri, Ram

2014-01-01

Using density functional theory with a hybrid functional, we calculate the ionization energies and electron affinities of a series of delafossite compounds (AMO2: A =Cu, Ag; M =B, Al, Ga, In, Sc). The alignments of the valence band maximum and the conduction band minimum, which directly relate to the ionization energies and electron affinities, were obtained by calculations of supercell slab models constructed in a nonpolar orientation. Our calculations reveal that the ionization energy decreases with an increasing atomic number of group-III elements, and thus suggest an improved p-type doping propensity for heavier compounds. For keeping both a low ionization energy and a band gap of sufficient size, CuScO2 is superior to the Cu-based group-III delafossites. By analyzing the electronic structures, we demonstrate that the compositional trend of the ionization energies and electron affinities is the result of a combined effect of d-band broadening due to Cu(Ag)-Cu(Ag) coupling and a repositioning of the d-band center.

Explaining electric conductivity using the particle-in-a-box model: quantum superposition is the key

NASA Astrophysics Data System (ADS)

Sivanesan, Umaseh; Tsang, Kin; Izmaylov, Artur F.

2017-12-01

Most of the textbooks explaining electric conductivity in the context of quantum mechanics provide either incomplete or semi-classical explanations that are not connected with the elementary concepts of quantum mechanics. We illustrate the conduction phenomena using the simplest model system in quantum dynamics, a particle in a box (PIB). To induce the particle dynamics, a linear potential tilting the bottom of the box is introduced, which is equivalent to imposing a constant electric field for a charged particle. Although the PIB model represents a closed system that cannot have a flow of electrons through the system, we consider the oscillatory dynamics of the particle probability density as the analogue of the electric current. Relating the amplitude and other parameters of the particle oscillatory dynamics with the gap between the ground and excited states of the PIB model allows us to demonstrate one of the most basic dependencies of electric conductivity on the valence-conduction band gap of the material.

An improved model for the dielectric constant of sea water at microwave frequencies

NASA Technical Reports Server (NTRS)

Klein, L. A.; Swift, C. T.

1977-01-01

The advent of precision microwave radiometry has placed a stringent requirement on the accuracy with which the dielectric constant of sea water must be known. To this end, measurements of the dielectric constant have been conducted at S-band and L-band with a quoted uncertainty of tenths of a percent. These and earlier results are critically examined, and expressions are developed which will yield computations of brightness temperature having an error of no more than 0.3 K for an undisturbed sea at frequencies lower than X-band. At the higher microwave and millimeter wave frequencies, the accuracy is in question because of uncertainties in the relaxation time and the dielectric constant at infinite frequency.

Conductivity and transport studies of plasticized chitosan-based proton conducting biopolymer electrolytes

NASA Astrophysics Data System (ADS)

Shukur, M. F.; Yusof, Y. M.; Zawawi, S. M. M.; Illias, H. A.; Kadir, M. F. Z.

2013-11-01

This paper focuses on the conductivity and transport properties of chitosan-based solid biopolymer electrolytes containing ammonium thiocyanate (NH4SCN). The sample containing 40 wt% NH4SCN exhibited the highest conductivity value of (1.81 ± 0.50) × 10-4 S cm-1 at room temperature. Conductivity has increased to (1.51 ± 0.12) × 10-3 S cm-1 with the addition of 25 wt% glycerol. The temperature dependence of conductivity for both salted and plasticized systems obeyed the Arrhenius rule. The activation energy (Ea) was calculated for both systems and it is found that the sample with 40 wt% NH4SCN in the salted system obtained an Ea value of 0.148 eV and that for the sample containing 25 wt% glycerol in the plasticized system is 0.139 eV. From the Fourier transform infrared studies, carboxamide and amine bands shifted to lower wavenumbers, indicating that chitosan has interacted with NH4SCN salt. Changes in the C-O stretching vibration band intensity are observed at 1067 cm-1 with the addition of glycerol. The Rice and Roth model was used to explain the transport properties of the salted and plasticized systems.

Measurement and Prediction of Field Transmission Loss as a Diagnostic Tool in Evaluation of Emergency Evacuation Signal Propagation in a Dormitory Facility

NASA Astrophysics Data System (ADS)

Robinson, Donald Arthur

1984-06-01

A method is presented to predict airborne and barrier transmission loss of an audible signal as it travels from a corridor based octave band sound source to a room based receiver location. Flanking pathways are not considered in the prediction model. Although the central focus of the research is on the propagation of the signal, a comprehensive review of the source, path and receiver are presented as related to emergency audible signal propagation. Linear attenuation of the signal and end wall reflection is applied along the corridor path incorporating research conducted by T. L. Redmore of Essex, England. Classical room acoustics are applied to establish the onset of linear attenuation beyond the near field. The "coincidence effect" is applied to the transmission loss through the room door barrier. A constant barrier door transmission loss from corridor-to-room is applied throughout the 250 - 8000 Hertz octave bands. In situ measurements were conducted in two separate dormitories on the University of Massachusetts Amherst campus to verify the validity of the approach. All of the experimental data points follow the corresponding points predicted by the model with all correlations exceeding 0.9. The 95 percent confidence intervals for the absolute difference between predicted and measured values ranged from 0.76 dB to 4.5 dB based on five Leq dB levels taken at each octave band along the length of the corridor. For the corridor to room attenuation in the six test rooms, with the door closed and edge sealed, the predicted minus measured levels ranged from an interval of 0.54 to 2.90 dB Leq at octave bands from 250 to 8000 Hertz. Given the inherent difficulty of in situ tests compared to laboratory or modeling approaches the confidence intervals obtained confirm the usefulness of the prediction model presented.

High performance of chlorophyll-a prediction algorithms based on simulated OLCI Sentinel-3A bands in cyanobacteria-dominated inland waters

NASA Astrophysics Data System (ADS)

Watanabe, Fernanda Sayuri Yoshino; Alcântara, Enner; Stech, José Luiz

2018-07-01

In this research, we have investigated whether the chlorophyll-a (chl a) retrieval algorithms based on OLCI Sentinel-3A bands are suitable for cyanobacteria-dominated waters. Phytoplankton assemblages model optical properties of the water, influencing the performance of bio-optical algorithms. Understanding these processes is important to improve the prediction of photoactive pigments in order to use them as a proxy for trophic state and harmful algal bloom. So that, both empirical and semi-analytical approaches designed for different inland waters were tested. In addition, empirical models were tuned based on dataset collected in situ. The study was conducted in the Funil hydroelectric reservoir, where chl a ranged from 2.33 to 208.68 mg m-3 in May 2012 (austral fall) and 4.37 to 306.03 mg m-3 in October 2012 (austral spring). OLCI Sentinel-3A bands were tested in existing algorithms developed for other sensors and new band combinations were compared to analyze the errors produced. Normalized Difference Chlorophyll Index (NDCI) exhibited the best performance, with a Normalized Root Mean Square Error (NRMSE) of 9.30%. Result showed that wavelength at 665 nm is adequate to estimate chl a, although the maximum pigment absorption band is shifted due to phycocyanin fluorescence at approximately 650 nm.

Viscoelastic effect on acoustic band gaps in polymer-fluid composites

NASA Astrophysics Data System (ADS)

Merheb, B.; Deymier, P. A.; Muralidharan, K.; Bucay, J.; Jain, M.; Aloshyna-Lesuffleur, M.; Greger, R. W.; Mohanty, S.; Berker, A.

2009-10-01

In this paper, we present a theoretical analysis of the propagation of acoustic waves through elastic and viscoelastic two-dimensional phononic crystal structures. Numerical calculations of transmission spectra are conducted by extending the finite-difference-time-domain method to account for linear viscoelastic materials with time-dependent moduli. We study a phononic crystal constituted of a square array of cylindrical air inclusions in a solid viscoelastic matrix. The elastic properties of the solid are those of a silicone rubber. This system exhibits very wide band gaps in its transmission spectrum that extend to frequencies in the audible range of the spectrum. These gaps are characteristic of fluid matrix/air inclusion systems and result from the very large contrast between the longitudinal and transverse speeds of sound in rubber. By treating the matrix as a viscoelastic medium within the standard linear solid (SLS) model, we demonstrate that viscoelasticity impacts the transmission properties of the rubber/air phononic crystal not only by attenuating the transmitted acoustic waves but also by shifting the passing bands frequencies toward lower values. The ranges of frequencies exhibiting attenuation or frequency shift are determined by the value of the relaxation time in the SLS model. We show that viscoelasticity can be used to decrease the frequency of pass bands (and consequently stop bands) in viscoelastic/air phononic crystals.

Ka-band and X-band observations of the solar corona acquired during the Cassini 2001 superior conjunction

NASA Technical Reports Server (NTRS)

Morabito, D. D.

2002-01-01

Simultaneous dual-frequency Ka-band (32 GHz) and X-band (8.4 GHz) carrier signal data have been acquired during the superior conjunction of the Cassini spacecraft June 2001, using the NASA Deep Space Network's facilities located in Goldstone, California. The solar elongation angle of the observations varied from -4.1 degrees (-16 solar radii) to -0.6 degrees (-2.3 solar radii). The observed coronal and solar effects on the signals include spectral broadening, amplitude scintillation, phase scintillation, and increased noise. The measurements were generally consistent with existing solar models, except during solar transient events when the signatures of the measurements were observed to increase significantly above the quiet background levels. This is the second solar conjunction of Cassini for which simultaneous X/Ka data were acquired. Both solar conjunctions, conducted in May 2000 and June 2001, occurred near the peak of the current 11 year solar cycle.

Magnesium acceptor in gallium nitride. I. Photoluminescence from Mg-doped GaN

NASA Astrophysics Data System (ADS)

Reshchikov, M. A.; Ghimire, P.; Demchenko, D. O.

2018-05-01

Defect-related photoluminescence (PL) is analyzed in detail for n -type, p -type, and semi-insulating Mg-doped GaN grown by different techniques. The ultraviolet luminescence (UVL) band is the dominant PL band in conductive n -type and p -type GaN:Mg samples grown by hydride vapor phase epitaxy (HVPE) and molecular beam epitaxy. The UVL band in undoped and Mg-doped GaN samples is attributed to the shallow M gGa acceptor with the ionization energy of 223 meV. In semi-insulating GaN:Mg samples, very large shifts of the UVL band (up to 0.6 eV) are observed with variation of temperature or excitation intensity. The shifts are attributed to diagonal transitions, likely due to potential fluctuations or near-surface band bending. The blue luminescence (B LMg ) band is observed only in GaN:Mg samples grown by HVPE or metalorganic chemical vapor deposition when the concentration of Mg exceeds 1019c m-3 . The B LMg band is attributed to electron transitions from an unknown deep donor to the shallow M gGa acceptor. Basic properties of the observed PL are explained with a phenomenological model.

Fabrication and characterization of multiband solar cells based on highly mismatched alloys

NASA Astrophysics Data System (ADS)

López, N.; Braña, A. F.; García Núñez, C.; Hernández, M. J.; Cervera, M.; Martínez, M.; Yu, K. M.; Walukiewicz, W.; García, B. J.

2015-10-01

Multiband solar cells are one type of third generation photovoltaic devices in which an increase of the power conversion efficiency is achieved through the absorption of low energy photons while preserving a large band gap that determines the open circuit voltage. The ability to absorb photons from different parts of the solar spectrum originates from the presence of an intermediate energy band located within the band gap of the material. This intermediate band, acting as a stepping stone allows the absorption of low energy photons to transfer electrons from the valence band to the conduction band by a sequential two photons absorption process. It has been demonstrated that highly mismatched alloys offer a potential to be used as a model material system for practical realization of multiband solar cells. Dilute nitride GaAs1-xNx highly mismatched alloy with low mole fraction of N is a prototypical multiband semiconductor with a well-defined intermediate band. Currently, we are using chemical beam epitaxy to synthesize dilute nitride highly mismatched alloys. The materials are characterized by a variety of structural and optical methods to optimize their properties for multiband photovoltaic devices.

Modelling above Ground Biomass of Mangrove Forest Using SENTINEL-1 Imagery

NASA Astrophysics Data System (ADS)

Labadisos Argamosa, Reginald Jay; Conferido Blanco, Ariel; Balidoy Baloloy, Alvin; Gumbao Candido, Christian; Lovern Caboboy Dumalag, John Bart; Carandang Dimapilis, Lee, , Lady; Camero Paringit, Enrico

2018-04-01

Many studies have been conducted in the estimation of forest above ground biomass (AGB) using features from synthetic aperture radar (SAR). Specifically, L-band ALOS/PALSAR (wavelength 23 cm) data is often used. However, few studies have been made on the use of shorter wavelengths (e.g., C-band, 3.75 cm to 7.5 cm) for forest mapping especially in tropical forests since higher attenuation is observed for volumetric objects where energy propagated is absorbed. This study aims to model AGB estimates of mangrove forest using information derived from Sentinel-1 C-band SAR data. Combinations of polarisations (VV, VH), its derivatives, grey level co-occurrence matrix (GLCM), and its principal components were used as features for modelling AGB. Five models were tested with varying combinations of features; a) sigma nought polarisations and its derivatives; b) GLCM textures; c) the first five principal components; d) combination of models a-c; and e) the identified important features by Random Forest variable importance algorithm. Random Forest was used as regressor to compute for the AGB estimates to avoid over fitting caused by the introduction of too many features in the model. Model e obtained the highest r2 of 0.79 and an RMSE of 0.44 Mg using only four features, namely, σ°VH GLCM variance, σ°VH GLCM contrast, PC1, and PC2. This study shows that Sentinel-1 C-band SAR data could be used to produce acceptable AGB estimates in mangrove forest to compensate for the unavailability of longer wavelength SAR.

Electronic transport properties of Ti-impurity band in Si

NASA Astrophysics Data System (ADS)

Olea, J.; González-Díaz, G.; Pastor, D.; Mártil, I.

2009-04-01

In this paper we show that pulsed laser melted high dose implantation of Ti in Si, above the Mott transition, produces an impurity band (IB) in this semiconductor. Using the van der Pauw method and Hall effect measurements we find strong laminated conductivity at the implanted layer and a temperature dependent decoupling between the Ti implanted layer (TIL) and the substrate. The conduction mechanism from the TIL to the substrate shows blocking characteristics that could be well explained through IB theory. Using the ATLAS code we can estimate the energetic position of the IB at 0.36 eV from the conduction band, the density of holes in this band which is closely related to the Ti atomic density and the hole mobility in this band. Band diagrams of the structure at low and high temperatures are also simulated in the ATLAS framework. The simulation obtained is fully coherent with experimental results.

A visible light photocatalyst: effects of vanadium substitution on ETS-10.

PubMed

Marie Shough, Anne; Lobo, Raul F; Doren, Douglas J

2007-10-07

Hybrid density functional theory/molecular mechanics (DFT/MM) methods have been used to investigate the effects of vanadium substitution in ETS-10. Models have been developed to contain varying concentrations of V(IV) and V(V) within the O-M-O (M = Ti, V) chain. Most of the V-substituted models have a localized mid-gap state. The occupation of this localized state depends upon the dopant oxidation state, leading to the addition of multiple low energy transitions. A linear correlation has been identified between band gap energies estimated using ground state orbital energies and those calculated using the more accurate and computationally demanding time-dependent DFT (TDDFT) method for a variety of transition metal substituted models of ETS-10. Consistent with experimental data for V substitution, our models predict a decrease in the optical band gap with increasing [V], due to a lowering of the delocalized d-orbital states at the bottom of the conduction band with increasing V d-orbital character. This effect is more pronounced in the case of V(V) substitution than V(IV). Excitation energies for the V-doped models, calculated with TDDFT methods correlate well with experimental data, allowing for the assignment of specific optical transitions to experimental UV-Vis spectra. The electronic structure of V-substituted ETS-10 at high V concentration demonstrates band gap energies within the visible range of the spectrum. Additionally, at high [V] the band gap energy and presence of low energy electron traps can be controlled by the relative concentration of V(IV) and V(V) along the O-M-O chain, establishing V-substituted ETS-10 as a promising visible light photocatalyst.

Tuning the optical bandgap in multi-cation compound transparent conducting-oxides: The examples of In2ZnO4 and In4Sn3O12

NASA Astrophysics Data System (ADS)

Sabino, Fernando P.; Oliveira, Luiz N.; Wei, Su-Huai; Da Silva, Juarez L. F.

2018-02-01

Transparent conducting oxides such as the bixbyite In2O3 and rutile SnO2 systems have large disparities between the optical and fundamental bandgaps, ΔEgO F , because selection rules forbid dipolar transitions from the top of the valence band to the conduction-band minimum; however, the optical gaps of multi-cation compounds with the same chemical species often coincide with their fundamental gaps. To explain this conundrum, we have employed density-functional theory to compute the optical properties of multi-cation compounds, In2ZnO4 and In4Sn3O12, in several crystal structures. We show that a recently proposed mechanism to explain the disparity between the optical and fundamental gaps of M2O3 (M = Al, Ga, and In) applies also to other binary systems and to multi-compounds. Namely, a gap disparity will arise if the following three conditions are satisfied: (i) the crystal structure has inversion symmetry; (ii) the conduction-band minimum is formed by the cation and O s-orbitals; and (iii) there is strong p-d coupling and weak p-p in the vicinity of the valence-band maximum. The third property depends critically on the cationic chemical species. In the structures with inversion symmetry, Zn (Sn) strengthens (weakens) the p-d coupling in In2ZnO4 (In4Sn3O12), enhancing (reducing) the gap disparity. Furthermore, we have also identified a In4Sn3O12 structure that is 31.80 meV per formula unit more stable than a recently proposed alternative model.

Shuttle antenna radome technology test program. Volume 2: Development of S-band antenna interface design

NASA Technical Reports Server (NTRS)

Kuhlman, E. A.; Baranowski, L. C.

1977-01-01

The effects of the Thermal Protection Subsystem (TPS) contamination on the space shuttle orbiter S band quad antenna due to multiple mission buildup are discussed. A test fixture was designed, fabricated and exposed to ten cycles of simulated ground and flight environments. Radiation pattern and impedance tests were performed to measure the effects of the contaminates. The degradation in antenna performance was attributed to the silicone waterproofing in the TPS tiles rather than exposure to the contaminating sources used in the test program. Validation of the accuracy of an analytical thermal model is discussed. Thermal vacuum tests with a test fixture and a representative S band quad antenna were conducted to evaluate the predictions of the analytical thermal model for two orbital heating conditions and entry from each orbit. The results show that the accuracy of predicting the test fixture thermal responses is largely dependent on the ability to define the boundary and ambient conditions. When the test conditions were accurately included in the analytical model, the predictions were in excellent agreement with measurements.

The Hofstadter Butterfly and some physical consequences

NASA Astrophysics Data System (ADS)

Claro, Francisco

Opening its beautiful wings for the first time four decades ago, the Hofstadter Butterfly emerged as a self-similar pattern of bands and gaps displaying the allowed energies for two dimensional crystalline electrons in a perpendicular magnetic field. Within the Harper model, as the external field parameter is varied well defined gaps traverse the spectrum, some closing at a Dirac point where two approaching bands touch. Such band edges degeneracy is lifted in more realistic models. Gaps have a unique label that determines the Hall conductivity of a noninteracting electron system, as observed in recent experiments. When the 2D electron assembly is allowed to interact in the absence of an underlying periodic potential, the mean field approximation predicts a liquid at integer filling fractions and electron density fluctuations otherwise, which if periodic may be represented again by a Harper equation. The intriguing odd denominator rule observed in experiment in the fractional quantum Hall regime is then a natural prediction of the model. Although I have an affiliation (lifetime Granted) I am actually retired (do not have a paid contract).

An ocean scatter propagation model for aeronautical satellite communication applications

NASA Technical Reports Server (NTRS)

Moreland, K. W.

1990-01-01

In this paper an ocean scattering propagation model, developed for aircraft-to-satellite (aeronautical) applications, is described. The purpose of the propagation model is to characterize the behavior of sea reflected multipath as a function of physical propagation path parameters. An accurate validation against the theoretical far field solution for a perfectly conducting sinusoidal surface is provided. Simulation results for typical L band aeronautical applications with low complexity antennas are presented.

Importance of conduction electron correlation in a Kondo lattice, Ce₂CoSi₃.

PubMed

Patil, Swapnil; Pandey, Sudhir K; Medicherla, V R R; Singh, R S; Bindu, R; Sampathkumaran, E V; Maiti, Kalobaran

2010-06-30

Kondo systems are usually described by the interaction of the correlation induced local moments with the highly itinerant conduction electrons. Here, we study the role of electron correlations among conduction electrons in the electronic structure of a Kondo lattice compound, Ce₂CoSi₃, using high resolution photoemission spectroscopy and ab initio band structure calculations, where Co 3d electrons contribute in the conduction band. High energy resolution employed in the measurements helped to reveal the signatures of Ce 4f states derived Kondo resonance features at the Fermi level and the dominance of Co 3d contributions at higher binding energies in the conduction band. The lineshape of the experimental Co 3d band is found to be significantly different from that obtained from the band structure calculations within the local density approximations, LDA. Consideration of electron-electron Coulomb repulsion, U, among Co 3d electrons within the LDA + U method leads to a better representation of experimental results. The signature of an electron correlation induced satellite feature is also observed in the Co 2p core level spectrum. These results clearly demonstrate the importance of the electron correlation among conduction electrons in deriving the microscopic description of such Kondo systems.

Unified computational model of transport in metal-insulating oxide-metal systems

NASA Astrophysics Data System (ADS)

Tierney, B. D.; Hjalmarson, H. P.; Jacobs-Gedrim, R. B.; Agarwal, Sapan; James, C. D.; Marinella, M. J.

2018-04-01

A unified physics-based model of electron transport in metal-insulator-metal (MIM) systems is presented. In this model, transport through metal-oxide interfaces occurs by electron tunneling between the metal electrodes and oxide defect states. Transport in the oxide bulk is dominated by hopping, modeled as a series of tunneling events that alter the electron occupancy of defect states. Electron transport in the oxide conduction band is treated by the drift-diffusion formalism and defect chemistry reactions link all the various transport mechanisms. It is shown that the current-limiting effect of the interface band offsets is a function of the defect vacancy concentration. These results provide insight into the underlying physical mechanisms of leakage currents in oxide-based capacitors and steady-state electron transport in resistive random access memory (ReRAM) MIM devices. Finally, an explanation of ReRAM bipolar switching behavior based on these results is proposed.

Nanocomposites with high thermoelectric figures of merit

NASA Technical Reports Server (NTRS)

Dresselhaus, Mildred (Inventor); Ren, Zhifeng (Inventor); Chen, Gang (Inventor)

2008-01-01

The present invention is generally directed to nanocomposite thermoelectric materials that exhibit enhanced thermoelectric properties. The nanocomposite materials include two or more components, with at least one of the components forming nano-sized structures within the composite material. The components are chosen such that thermal conductivity of the composite is decreased without substantially diminishing the composite's electrical conductivity. Suitable component materials exhibit similar electronic band structures. For example, a band-edge gap between at least one of a conduction band or a valence band of one component material and a corresponding band of the other component material at interfaces between the components can be less than about 5k.sub.BT, wherein k.sub.B is the Boltzman constant and T is an average temperature of said nanocomposite composition.

Nanocomposites with High Thermoelectric Figures of Merit

NASA Technical Reports Server (NTRS)

Chen, Gang (Inventor); Ren, Zhifeng (Inventor); Dresselhaus, Mildred (Inventor)

2015-01-01

The present invention is generally directed to nanocomposite thermoelectric materials that exhibit enhanced thermoelectric properties. The nanocomposite materials include two or more components, with at least one of the components forming nano-sized structures within the composite material. The components are chosen such that thermal conductivity of the composite is decreased without substantially diminishing the composite's electrical conductivity. Suitable component materials exhibit similar electronic band structures. For example, a band-edge gap between at least one of a conduction band or a valence band of one component material and a corresponding band of the other component material at interfaces between the components can be less than about 5k(sub B)T, wherein k(sub B) is the Boltzman constant and T is an average temperature of said nanocomposite composition.

Nanocomposites with high thermoelectric figures of merit

NASA Technical Reports Server (NTRS)

Ren, Zhifeng (Inventor); Chen, Gang (Inventor); Dresselhaus, Mildred (Inventor)

2012-01-01

The present invention is generally directed to nanocomposite thermoelectric materials that exhibit enhanced thermoelectric properties. The nanocomposite materials include two or more components, with at least one of the components forming nano-sized structures within the composite material. The components are chosen such that thermal conductivity of the composite is decreased without substantially diminishing the composite's electrical conductivity. Suitable component materials exhibit similar electronic band structures. For example, a band-edge gap between at least one of a conduction band or a valence band of one component material and a corresponding band of the other component material at interfaces between the components can be less than about 5k.sub.BT, wherein k.sub.B is the Boltzman constant and T is an average temperature of said nanocomposite composition.

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

Kuchinskii, E. Z., E-mail: kuchinsk@iep.uran.ru; Kuleeva, N. A.; Sadovskii, M. V., E-mail: sadovski@iep.uran.ru

We derive a Ginzburg–Landau (GL) expansion in the disordered attractive Hubbard model within the combined Nozieres–Schmitt-Rink and DMFT+Σ approximation. Restricting ourselves to the homogeneous expansion, we analyze the disorder dependence of GL expansion coefficients for a wide range of attractive potentials U, from the weak BCS coupling region to the strong-coupling limit, where superconductivity is described by Bose–Einstein condensation (BEC) of preformed Cooper pairs. We show that for the a semielliptic “bare” density of states of the conduction band, the disorder influence on the GL coefficients A and B before quadratic and quartic terms of the order parameter, as wellmore » as on the specific heat discontinuity at the superconducting transition, is of a universal nature at any strength of the attractive interaction and is related only to the general widening of the conduction band by disorder. In general, disorder growth increases the values of the coefficients A and B, leading either to a suppression of the specific heat discontinuity (in the weak-coupling limit), or to its significant growth (in the strong-coupling region). However, this behavior actually confirms the validity of the generalized Anderson theorem, because the disorder dependence of the superconducting transition temperature T{sub c}, is also controlled only by disorder widening of the conduction band (density of states).« less

Computational modeling of properties

NASA Technical Reports Server (NTRS)

Franz, Judy R.

1994-01-01

A simple model was developed to calculate the electronic transport parameters in disordered semiconductors in strong scattered regime. The calculation is based on a Green function solution to Kubo equation for the energy-dependent conductivity. This solution together with a rigorous calculation of the temperature-dependent chemical potential allows the determination of the dc conductivity and the thermopower. For wise-gap semiconductors with single defect bands, these transport properties are investigated as a function of defect concentration, defect energy, Fermi level, and temperature. Under certain conditions the calculated conductivity is quite similar to the measured conductivity in liquid II-VI semiconductors in that two distinct temperature regimes are found. Under different conditions the conductivity is found to decrease with temperature; this result agrees with measurements in amorphous Si. Finally the calculated thermopower can be positive or negative and may change sign with temperature or defect concentration.

Computational modeling of properties

NASA Technical Reports Server (NTRS)

Franz, Judy R.

1994-01-01

A simple model was developed to calculate the electronic transport parameters in disordered semiconductors in strong scattered regime. The calculation is based on a Green function solution to Kubo equation for the energy-dependent conductivity. This solution together with a rigorous calculation of the temperature-dependent chemical potential allows the determination of the dc conductivity and the thermopower. For wide-gap semiconductors with single defect bands, these transport properties are investigated as a function of defect concentration, defect energy, Fermi level, and temperature. Under certain conditions the calculated conductivity is quite similar to the measured conductivity in liquid 2-6 semiconductors in that two distinct temperature regimes are found. Under different conditions the conductivity is found to decrease with temperature; this result agrees with measurements in amorphous Si. Finally the calculated thermopower can be positive or negative and may change sign with temperature or defect concentration.

Transmission functions for various models of the atmosphere for channels of Soviet and American radiometers (15 micron CO2 band)

NASA Technical Reports Server (NTRS)

1978-01-01

Listed are various graphs and tables for illustrations related to Point IX of a list of works conducted by the USSR in accordance with the Joint Soviet-American Research Program on improving methods of thermal sounding from satellites.

Simultaneous Conduction and Valence Band Quantization in Ultrashallow High-Density Doping Profiles in Semiconductors

NASA Astrophysics Data System (ADS)

Mazzola, F.; Wells, J. W.; Pakpour-Tabrizi, A. C.; Jackman, R. B.; Thiagarajan, B.; Hofmann, Ph.; Miwa, J. A.

2018-01-01

We demonstrate simultaneous quantization of conduction band (CB) and valence band (VB) states in silicon using ultrashallow, high-density, phosphorus doping profiles (so-called Si:P δ layers). We show that, in addition to the well-known quantization of CB states within the dopant plane, the confinement of VB-derived states between the subsurface P dopant layer and the Si surface gives rise to a simultaneous quantization of VB states in this narrow region. We also show that the VB quantization can be explained using a simple particle-in-a-box model, and that the number and energy separation of the quantized VB states depend on the depth of the P dopant layer beneath the Si surface. Since the quantized CB states do not show a strong dependence on the dopant depth (but rather on the dopant density), it is straightforward to exhibit control over the properties of the quantized CB and VB states independently of each other by choosing the dopant density and depth accordingly, thus offering new possibilities for engineering quantum matter.

Thermoelectric properties of fully hydrogenated graphene: Semi-classical Boltzmann theory

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

Reshak, A. H., E-mail: maalidph@yahoo.co.uk; Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis

2015-06-14

Based on the calculated band structure, the electronic transport coefficients of chair-/boat-like graphane were evaluated by using the semi-classical Boltzmann theory and rigid band model. The maximum value of electrical conductivity for chair (boat)-like graphane of about 1.4 (0.6) × 10{sup 19} (Ωms){sup −1} is achieved at 600 K. The charge carrier concentration and the electrical conductivity linearly increase with increasing the temperature in agreement with the experimental work for graphene. The investigated materials exhibit the highest value of Seebeck coefficient at 300 K. We should emphasize that in the chemical potential between ∓0.125 μ(eV) the investigated materials exhibit minimum value of electronic thermalmore » conductivity, therefore, maximum efficiency. As the temperature increases, the electronic thermal conductivity increases exponentially, in agreement with the experimental data of graphene. We also calculated the power factor of chair-/boat-like graphane at 300 and 600 K as a function of chemical potential between ∓0.25 μ(eV)« less

The extreme ultraviolet explorer

NASA Technical Reports Server (NTRS)

Bowyer, Stuart; Malina, Roger F.

1990-01-01

The Extreme Ultraviolet Explorer (EUVE) mission, currently scheduled for launch in September 1991, is described. The primary purpose of the mission is to survey the celestial sphere for astronomical sources of Extreme Ultraviolet (EUV) radiation. The survey will be accomplished with the use of three EUV telescopes, each sensitive to a different segment of the EUV band. A fourth telescope will perform a high sensitivity search of a limited sample of the sky in the shortest wavelength bands. The all sky survey will be carried out in the first six months of the mission and will be made in four bands, or colors. The second phase of the mission, conducted entirely by guest observers selected by NASA, will be devoted to spectroscopic observations of EUV sources. The performance of the instrument components is described. An end to end model of the mission, from a stellar source to the resulting scientific data, was constructed. Hypothetical data from astronomical sources processed through this model are shown.

Thermal Conductivity Enhancement by Optical Phonon Sub-Band Engineering of Nanostructures Based on C and BN

DTIC Science & Technology

2002-01-01

Thermal Conductivity Enhancement by Optical Phono n Sub-Band Engineering of Nanostructures Based on C and BN DARPA CONTRACT MDA972-02-C-0044... Engineering in 3-D Nanostructures Based on C an d BN Nanotubes " 1.3.1a. Phonon dynamics and thermal properties of zigzag carbon nanotubes Content I...Conductivity. Enhancement by Optical Phonon Sub-Bands Engineering in 3-D Nanostructure s Based on C and BN Nanotubes " . Here, the dynamics of the heat

Elucidation of band structure of charge storage in conducting polymers using a redox reaction.

PubMed

Contractor, Asfiya Q; Juvekar, Vinay A

2014-07-01

A novel technique to investigate charge storage characteristics of intrinsically conducting polymer films has been developed. A redox reaction is conducted on a polymer film on a rotating disk electrode under potentiostatic condition so that the rate of charging of the film equals the rate of removal of the charge by the reaction. The voltammogram obtained from the experiment on polyaniline film using Fe(2+)/Fe(3+) in HCl as the redox system shows five distinct linear segments (bands) with discontinuity in the slope at specific transition potentials. These bands are the same as those indicated by electron spin resonance (ESR)/Raman spectroscopy with comparable transition potentials. From the dependence of the slopes of the bands on concentration of ferrous and ferric ions, it was possible to estimate the energies of the charge carriers in different bands. The film behaves as a redox capacitor and does not offer resistance to charge transfer and electronic conduction.

High-harmonic generation from Bloch electrons in solids

NASA Astrophysics Data System (ADS)

Wu, Mengxi; Ghimire, Shambhu; Reis, David A.; Schafer, Kenneth J.; Gaarde, Mette B.

2015-04-01

We study the generation of high-harmonic radiation by Bloch electrons in a model transparent solid driven by a strong midinfrared laser field. We solve the single-electron time-dependent Schrödinger equation (TDSE) using a velocity-gauge method [M. Korbman et al., New J. Phys. 15, 013006 (2013), 10.1088/1367-2630/15/1/013006] that is numerically stable as the laser intensity and number of energy bands are increased. The resulting harmonic spectrum exhibits a primary plateau due to the coupling of the valence band to the first conduction band, with a cutoff energy that scales linearly with field strength and laser wavelength. We also find a weaker second plateau due to coupling to higher-lying conduction bands, with a cutoff that is also approximately linear in the field strength. To facilitate the analysis of the time-frequency characteristics of the emitted harmonics, we also solve the TDSE in a time-dependent basis set, the Houston states [J. B. Krieger and G. J. Iafrate, Phys. Rev. B 33, 5494 (1986), 10.1103/PhysRevB.33.5494], which allows us to separate interband and intraband contributions to the time-dependent current. We find that the interband and intraband contributions display very different time-frequency characteristics. We show that solutions in these two bases are equivalent under a unitary transformation but that, unlike the velocity-gauge method, the Houston state treatment is numerically unstable when more than a few low-lying energy bands are used.

Strain Dependent Electronic Structure and Band Offset Tuning at Heterointerfaces of ASnO3 (A=Ca, Sr, and Ba) and SrTiO3

PubMed Central

Baniecki, John D.; Yamazaki, Takashi; Ricinschi, Dan; Van Overmeere, Quentin; Aso, Hiroyuki; Miyata, Yusuke; Yamada, Hiroaki; Fujimura, Norifumi; Maran, Ronald; Anazawa, Toshihisa; Valanoor, Nagarajan; Imanaka, Yoshihiko

2017-01-01

The valence band (VB) electronic structure and VB alignments at heterointerfaces of strained epitaxial stannate ASnO3 (A=Ca, Sr, and Ba) thin films are characterized using in situ X-ray and ultraviolet photoelectron spectroscopies, with band gaps evaluated using spectroscopic ellipsometry. Scanning transmission electron microscopy with geometric phase analysis is used to resolve strain at atomic resolution. The VB electronic structure is strain state dependent in a manner that correlated with a directional change in Sn-O bond lengths with strain. However, VB offsets are found not to vary significantly with strain, which resulted in ascribing most of the difference in band alignment, due to a change in the band gaps with strain, to the conduction band edge. Our results reveal significant strain tuning of conduction band offsets using epitaxial buffer layers, with strain-induced offset differences as large as 0.6 eV possible for SrSnO3. Such large conduction band offset tunability through elastic strain control may provide a pathway to minimize the loss of charge confinement in 2-dimensional electron gases and enhance the performance of photoelectrochemical stannate-based devices. PMID:28195149

ZnO/Sn:In2O3 and ZnO/CdTe band offsets for extremely thin absorber photovoltaics

NASA Astrophysics Data System (ADS)

Kaspar, T. C.; Droubay, T.; Jaffe, J. E.

2011-12-01

Band alignments were measured by x-ray photoelectron spectroscopy for thin films of ZnO on polycrystalline Sn:In2O3 (ITO) and single crystal CdTe. Hybrid density functional theory calculations of epitaxial zinc blende ZnO(001) on CdTe(001) were performed to compare with experiment. A conduction band (CB) offset of -0.6 eV was measured for ZnO/ITO, which is larger than desired for efficient electron injection. For ZnO/CdTe, the experimental conduction band offset of 0.25 eV is smaller than the calculated value of 0.67 eV, possibly due to the TeOx layer at the ZnO/CdTe interface. The measured conduction band offset for ZnO/CdTe is favorable for photovoltaic devices.

Extreme ultraviolet quantum efficiency of opaque alkali halide photocathodes on microchannel plates

NASA Technical Reports Server (NTRS)

Siegmund, O. H. W.; Everman, E.; Vallerga, J. V.; Lampton, M.

1988-01-01

Comprehensive measurements are presented for the quantum detection efficiency (QDE) of the microchannel plate materials CsI, KBr, KCl, and MgF2, over the 44-1800 A wavelength range. QDEs in excess of 40 percent are achieved by several materials in specific wavelength regions of the EUV. Structure is noted in the wavelength dependence of the QDE that is directly related to the valence-band/conduction-band gap energy and the onset of atomic-like resonant transitions. A simple photocathode model allows interpretation of these features, together with the QDE efficiency variation, as a function of illumination angle.

The influence of surface functionalization on thermal transport and thermoelectric properties of MXene monolayers.

PubMed

Sarikurt, Sevil; Çakır, Deniz; Keçeli, Murat; Sevik, Cem

2018-05-10

The newest members of a two-dimensional material family, involving transition metal carbides and nitrides (called MXenes), have garnered increasing attention due to their tunable electronic and thermal properties depending on the chemical composition and functionalization. This flexibility can be exploited to fabricate efficient electrochemical energy storage (batteries) and energy conversion (thermoelectric) devices. In this study, we calculated the Seebeck coefficients and lattice thermal conductivity values of oxygen terminated M2CO2 (where M = Ti, Zr, Hf, Sc) monolayer MXene crystals in two different functionalization configurations (model-II (MD-II) and model-III (MD-III)), using density functional theory and Boltzmann transport theory. We estimated the thermoelectric figure-of-merit, zT, of these materials by two different approaches, as well. First of all, we found that the structural model (i.e. adsorption site of oxygen atom on the surface of MXene) has a paramount impact on the electronic and thermoelectric properties of MXene crystals, which can be exploited to engineer the thermoelectric properties of these materials. The lattice thermal conductivity κl, Seebeck coefficient and zT values may vary by 40% depending on the structural model. The MD-III configuration always has the larger band gap, Seebeck coefficient and zT, and smaller κl as compared to the MD-II structure due to a larger band gap, highly flat valence band and reduced crystal symmetry in the former. The MD-III configuration of Ti2CO2 and Zr2CO2 has the lowest κl as compared to the same configuration of Hf2CO2 and Sc2CO2. Among all the considered structures, the MD-II configuration of Hf2CO2 has the highest κl, and Ti2CO2 and Zr2CO2 in the MD-III configuration have the lowest κl. For instance, while the band gap of the MD-II configuration of Ti2CO2 is 0.26 eV, it becomes 0.69 eV in MD-III. The zTmax value may reach up to 1.1 depending on the structural model of MXene.

Sub-band-gap absorption in Ga2O3

NASA Astrophysics Data System (ADS)

Peelaers, Hartwin; Van de Walle, Chris G.

2017-10-01

β-Ga2O3 is a transparent conducting oxide that, due to its large bandgap of 4.8 eV, exhibits transparency into the UV. However, the free carriers that enable the conductivity can absorb light. We study the effect of free carriers on the properties of Ga2O3 using hybrid density functional theory. The presence of free carriers leads to sub-band-gap absorption and a Burstein-Moss shift in the onset of absorption. We find that for a concentration of 1020 carriers, the Fermi level is located 0.23 eV above the conduction-band minimum. This leads to an increase in the electron effective mass from 0.27-0.28 me to 0.35-0.37 me and a sub-band-gap absorption band with a peak value of 0.6 × 103 cm-1 at 3.37 eV for light polarized along the x or z direction. Both across-the-gap and free-carrier absorption depend strongly on the polarization of the incoming light. We also provide parametrizations of the conduction-band shape and the effective mass as a function of the Fermi level.

Thematic mapper protoflight model preshipment review data package. Volume 4: Appendix. Part A: Multiplexer data book 2

NASA Technical Reports Server (NTRS)

1982-01-01

Final performance test data for the thematic mapper flight model multiplexer are presented in tables. Aspects covered include A/D thresholds for bands 5, 6, and 7; cross talk; the thermistor; bilevel commands signal parameters; A/D threshold ambient, voltage margin low bus; serial data and bit clock parameters; and the wire check. Tests were conducted at ambient temperature.

A toy model to investigate the existence of excitons in the ground state of strongly-correlated semiconductor

NASA Astrophysics Data System (ADS)

Karima, H. R.; Majidi, M. A.

2018-04-01

Excitons, quasiparticles associated with bound states between an electron and a hole and are typically created when photons with a suitable energy are absorbed in a solid-state material. We propose to study a possible emergence of excitons, created not by photon absorption but the effect of strong electronic correlations. This study is motivated by a recent experimental study of a substrate material SrTiO3 (STO) that reveals strong exitonic signals in its optical conductivity. Here we conjecture that some excitons may already exist in the ground state as a result of the electronic correlations before the additional excitons being created later by photon absorption. To investigate the existence of excitons in the ground state, we propose to study a simple 4-energy-level model that mimics a situation in strongly-correlated semiconductors. The four levels are divided into two groups, lower and upper groups separated by an energy gap, Eg , mimicking the valence and the conduction bands, respectively. Further, we incorporate repulsive Coulomb interactions between the electrons. The model is then solved by exact diagonalization method. Our result shows that the toy model can demonstrate band gap widening or narrowing and the existence of exciton in the ground state depending on interaction parameter values.

FFT transformed quantitative EEG analysis of short term memory load.

PubMed

Singh, Yogesh; Singh, Jayvardhan; Sharma, Ratna; Talwar, Anjana

2015-07-01

The EEG is considered as building block of functional signaling in the brain. The role of EEG oscillations in human information processing has been intensively investigated. To study the quantitative EEG correlates of short term memory load as assessed through Sternberg memory test. The study was conducted on 34 healthy male student volunteers. The intervention consisted of Sternberg memory test, which runs on a version of the Sternberg memory scanning paradigm software on a computer. Electroencephalography (EEG) was recorded from 19 scalp locations according to 10-20 international system of electrode placement. EEG signals were analyzed offline. To overcome the problems of fixed band system, individual alpha frequency (IAF) based frequency band selection method was adopted. The outcome measures were FFT transformed absolute powers in the six bands at 19 electrode positions. Sternberg memory test served as model of short term memory load. Correlation analysis of EEG during memory task was reflected as decreased absolute power in Upper alpha band in nearly all the electrode positions; increased power in Theta band at Fronto-Temporal region and Lower 1 alpha band at Fronto-Central region. Lower 2 alpha, Beta and Gamma band power remained unchanged. Short term memory load has distinct electroencephalographic correlates resembling the mentally stressed state. This is evident from decreased power in Upper alpha band (corresponding to Alpha band of traditional EEG system) which is representative band of relaxed mental state. Fronto-temporal Theta power changes may reflect the encoding and execution of memory task.

Theoretical prediction of the band offsets at the ZnO/anatase TiO2 and GaN/ZnO heterojunctions using the self-consistent ab initio DFT/GGA-1/2 method.

PubMed

Fang, D Q; Zhang, S L

2016-01-07

The band offsets of the ZnO/anatase TiO2 and GaN/ZnO heterojunctions are calculated using the density functional theory/generalized gradient approximation (DFT/GGA)-1/2 method, which takes into account the self-energy corrections and can give an approximate description to the quasiparticle characteristics of the electronic structure of semiconductors. We present the results of the ionization potential (IP)-based and interfacial offset-based band alignments. In the interfacial offset-based band alignment, to get the natural band offset, we use the surface calculations to estimate the change of reference level due to the interfacial strain. Based on the interface models and GGA-1/2 calculations, we find that the valence band maximum and conduction band minimum of ZnO, respectively, lie 0.64 eV and 0.57 eV above those of anatase TiO2, while lie 0.84 eV and 1.09 eV below those of GaN, which agree well with the experimental data. However, a large discrepancy exists between the IP-based band offset and the calculated natural band offset, the mechanism of which is discussed. Our results clarify band alignment of the ZnO/anatase TiO2 heterojunction and show good agreement with the GW calculations for the GaN/ZnO heterojunction.

Influence of yield surface curvature on the macroscopic yielding and ductile failure of isotropic porous plastic materials

NASA Astrophysics Data System (ADS)

Dæhli, Lars Edvard Bryhni; Morin, David; Børvik, Tore; Hopperstad, Odd Sture

2017-10-01

Numerical unit cell models of an approximative representative volume element for a porous ductile solid are utilized to investigate differences in the mechanical response between a quadratic and a non-quadratic matrix yield surface. A Hershey equivalent stress measure with two distinct values of the yield surface exponent is employed as the matrix description. Results from the unit cell calculations are further used to calibrate a heuristic extension of the Gurson model which incorporates effects of the third deviatoric stress invariant. An assessment of the porous plasticity model reveals its ability to describe the unit cell response to some extent, however underestimating the effect of the Lode parameter for the lower triaxiality ratios imposed in this study when compared to unit cell simulations. Ductile failure predictions by means of finite element simulations using a unit cell model that resembles an imperfection band are then conducted to examine how the non-quadratic matrix yield surface influences the failure strain as compared to the quadratic matrix yield surface. Further, strain localization predictions based on bifurcation analyses and imperfection band analyses are undertaken using the calibrated porous plasticity model. These simulations are then compared to the unit cell calculations in order to elucidate the differences between the various modelling strategies. The current study reveals that strain localization analyses using an imperfection band model and a spatially discretized unit cell are in reasonable agreement, while the bifurcation analyses predict higher strain levels at localization. Imperfection band analyses are finally used to calculate failure loci for the quadratic and the non-quadratic matrix yield surface under a wide range of loading conditions. The underlying matrix yield surface is demonstrated to have a pronounced influence on the onset of strain localization.

Electromagnetic waves in a topological insulator thin film stack: helicon-like wave mode and photonic band structure.

PubMed

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.

Relating P-band AIRSAR backscatter to forest stand parameters

NASA Technical Reports Server (NTRS)

Wang, Yong; Melack, John M.; Davis, Frank W.; Kasischke, Eric S.; Christensen, Norman L., Jr.

1993-01-01

As part of research on forest ecosystems, the Jet Propulsion Laboratory (JPL) and collaborating research teams have conducted multi-season airborne synthetic aperture radar (AIRSAR) experiments in three forest ecosystems including temperate pine forest (Duke, Forest, North Carolina), boreal forest (Bonanza Creek Experimental Forest, Alaska), and northern mixed hardwood-conifer forest (Michigan Biological Station, Michigan). The major research goals were to improve understanding of the relationships between radar backscatter and phenological variables (e.g. stand density, tree size, etc.), to improve radar backscatter models of tree canopy properties, and to develop a radar-based scheme for monitoring forest phenological changes. In September 1989, AIRSAR backscatter data were acquired over the Duke Forest. As the aboveground biomass of the loblolly pine forest stands at Duke Forest increased, the SAR backscatter at C-, L-, and P-bands increased and saturated at different biomass levels for the C-band, L-band, and P-band data. We only use the P-band backscatter data and ground measurements here to study the relationships between the backscatter and stand density, the backscatter and mean trunk dbh (diameter at breast height) of trees in the stands, and the backscatter and stand basal area.

Shear band evolution in zirconium/hafnium-based bulk metallic glasses under static and dynamic indentations

NASA Astrophysics Data System (ADS)

Zhang, Hongwen

In this thesis, a detailed investigation of thermal stability and mechanical deformation behavior of Zr/Hf-based Bulk Metallic Glasses is conducted. First, systematic studies had been implemented to understand the influence of relative compositions of Zr and Hf on thermal stability and mechanical property evolution. Second, shear band evolution under indentations were investigated experimentally and theoretically. It was found in the present work that gradually replacing Zr by Hf remarkably increases the density and improves the mechanical properties. However, a slight decrease in glass forming ability with increasing Hf content has also been identified through thermodynamic analysis although all the materials in the current study were still found to be amorphous. Many indentation studies have revealed only a few shear bands surrounding the indent on the top surface of the specimen. This small number of shear bands cannot account for the large plastic deformation beneath the indentations. Therefore, a bonded interface technique has been used to observe the slip-steps due to shear band evolution. Vickers indentations were performed along the interface of the bonded split specimen at increasing loads. At small indentation loads, the plastic deformation was primarily accommodated by semi-circular primary shear bands surrounding the indentation. At higher loads, secondary and tertiary shear bands were formed inside this plastic zone. A modified expanding cavity model was then used to predict the plastic zone size characterized by the shear bands and to identify the stress components responsible for the evolution of the various types of shear bands. The applicability of various hardness - yield-strength (H-sigma y) relationships currently available in the literature for bulk metallic glasses (BMGs) is also investigated. Experimental data generated on ZrHf-based BMGs in the current study and those available elsewhere on other BMG compositions were used to validate the models. A modified expanding-cavity model, employed in earlier work, was extended to propose a new H-sigmay relationship. Unlike previous models, the proposed model takes into account not only the indenter geometry and the material properties, but also the pressure sensitivity index of the BMGs. The influence of various model parameters is systematically analyzed. It is shown that there is a good correlation between the model predictions and the experimental data for a wide range of BMG compositions. Under dynamic Vickers indentation, a decrease in indentation hardness at high loading rate was observed compared to static indentation hardness. It was observed that at equivalent loads, dynamic indentations produced more severe deformation features on the loading surface than static indentations. Different from static indentation, two sets of widely spaced semi-circular shear bands with two different curvatures were observed. The observed shear band pattern and the strain rate softening in indentation hardness were rationalized based on the variations in the normal stress on the slip plane, the strain rate of shear and the temperature rise associated with the indentation deformation. Finally, a coupled thermo-mechanical model is proposed that utilizes a momentum diffusion mechanism for the growth and evolution of the final spacing of shear bands. The influence of strain rate, confinement pressure and critical shear displacement on the shear band spacing, temperature rise within the shear band, and the associated variation in flow stress have been captured and analyzed. Consistent with the known pressure sensitive behavior of BMGs, the current model clearly captures the influence of the normal stress in the formation of shear bands. The normal stress not only reduces the time to reach critical shear displacement but also causes a significant temperature rise during the shear band formation. Based on this observation, the variation of shear band spacing in a typical dynamic indentation test has been rationalized. The temperature rise within a shear band can be in excess of 2000K at high strain rate and high confinement pressure conditions. The associated drop in viscosity and flow stress may explain the observed decrease in fracture strength and indentation hardness. The above investigations provide valuable insight into the deformation behavior of BMGs under static and dynamic loading conditions. The shear band patterns observed in the above indentation studies can be helpful to understand and model the deformation features under complex loading scenarios such as the interaction of a penetrator with armor. Future work encompasses (1) extending and modifying the coupled thermo-mechanical model to account for the temperature rise in quasistatic deformation; and (2) expanding this model to account for the microstructural variation-crystallization and free volume migration associated with the deformation. (Abstract shortened by UMI.)

Strong optical field ionisation of solids

NASA Astrophysics Data System (ADS)

McDonald, C. R.; Ben Taher, A.; Brabec, T.

2017-11-01

Population transfer from the valence to conduction band in the presence of an intense laser field is explored theoretically in semiconductors and dielectrics. Experiments performed on dielectrics exposed to an intense laser field have divulged a population dynamics between valence and conduction band that differs from that observed in semiconductors. Our paper explores two aspects of ionisation in solids. (i) Contemporary ionisation theories do not take account of the coupling between the valence and conduction bands resulting in the absence the dynamic Stark shift. Our single-particle analysis identifies the absence of the dynamic Stark shift as a possible cause for the contrasting ionisation behaviours observed in dielectric and semiconductor materials. The dynamic Stark shift results in an increased bandgap as the laser intensity is increased. This suppresses ionisation to an extent where the main population dynamics results from virtual oscillations in the conduction band population. The dynamic Stark shift mainly affects larger bandgap materials which can be exposed to decidedly higher laser intensities. (ii) In the presence of laser dressed virtual population of the conduction band, elastic collisions potentially transmute virtual into real population resulting in ionisation. This process is explored in the context of the relaxation time approximation.

Doping effects in InN/GaN short-period quantum well structures-Theoretical studies based on density functional methods

NASA Astrophysics Data System (ADS)

Strak, Pawel; Kempisty, Pawel; Sakowski, Konrad; Krukowski, Stanislaw

2014-09-01

Density functional theory studies were conducted to determine an influence of the carrier concentration on the optical and electronic properties of InN/GaN superlattice system. The oscillator strength values, energy gaps and the band profiles were obtained. The band profiles were found to be strongly affected for technically possible heavy n-type doping while for p-type doping the carrier influence, both screening and band shift, is negligible. Blue shift of the transition energy between conduction band minima and valence band maxima was observed for high concentrations of both type carriers.

Determination of band offsets at GaN/single-layer MoS{sub 2} heterojunction

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

Tangi, Malleswararao; Mishra, Pawan; Ng, Tien Khee

2016-07-18

We report the band alignment parameters of the GaN/single-layer (SL) MoS{sub 2} heterostructure where the GaN thin layer is grown by molecular beam epitaxy on CVD deposited SL-MoS{sub 2}/c-sapphire. We confirm that the MoS{sub 2} is an SL by measuring the separation and position of room temperature micro-Raman E{sup 1}{sub 2g} and A{sup 1}{sub g} modes, absorbance, and micro-photoluminescence bandgap studies. This is in good agreement with HRTEM cross-sectional analysis. The determination of band offset parameters at the GaN/SL-MoS{sub 2} heterojunction is carried out by high-resolution X-ray photoelectron spectroscopy accompanying with electronic bandgap values of SL-MoS{sub 2} and GaN. Themore » valence band and conduction band offset values are, respectively, measured to be 1.86 ± 0.08 and 0.56 ± 0.1 eV with type II band alignment. The determination of these unprecedented band offset parameters opens up a way to integrate 3D group III nitride materials with 2D transition metal dichalcogenide layers for designing and modeling of their heterojunction based electronic and photonic devices.« less

Multielectronic conduction in La1-xSrxGa1/2Mn1/2O3-δ as solid oxide fuel cell cathode

NASA Astrophysics Data System (ADS)

Iguchi, E.; Hashimoto, Y.; Kurumada, M.; Munakata, F.

2003-08-01

Four-probe dc conductivities, capacitances, and thermopower have been measured in the temperature range of 80-1123 K for La1-xSrxGa1/2Mn1/2O3-δ, which is a desirable cathode material for lanthanum-gallate electrolytes of solid oxide fuel cells. The dc conductivities in the specimens (0.1⩽x⩽0.3) are insensitive to x but the thermopower is very sensitive to x, although the x=0 specimen exhibits a somewhat different conduction behavior. At T<300 K, a relaxation process has shown in dielectric loss factor with the activation energy higher than that for dc conduction in every specimen. These results at T<300 K have been numerically analyzed within the framework of the multielectronic conduction consisting of the polaronic conduction of Mn 3d eg holes created by Sr doping, the band conduction of O 2p holes and the hopping conduction of Mn 3d eg electrons, where the O 2p holes and Mn 3d eg electrons are created by thermal excitation of electrons from O 2p bands to Mn 3d eg narrow bands. At T>500 K, the band conduction dominates the electronic transports. The ionic conduction due to O2- migration seems difficult to contribute directly to the dc conduction even at high temperature.

Complex band structure and electronic transmission eigenchannels

NASA Astrophysics Data System (ADS)

Jensen, Anders; Strange, Mikkel; Smidstrup, Søren; Stokbro, Kurt; Solomon, Gemma C.; Reuter, Matthew G.

2017-12-01

It is natural to characterize materials in transport junctions by their conductance length dependence, β. Theoretical estimations of β are made employing two primary theories: complex band structure and density functional theory (DFT) Landauer transport. It has previously been shown that the β value derived from total Landauer transmission can be related to the β value from the smallest |ki| complex band; however, it is an open question whether there is a deeper relationship between the two. Here we probe the details of the relationship between transmission and complex band structure, in this case individual eigenchannel transmissions and different complex bands. We present calculations of decay constants for the two most conductive states as determined by complex band structure and standard DFT Landauer transport calculations for one semi-conductor and two molecular junctions. The molecular junctions show that both the length dependence of the total transmission and the individual transmission eigenvalues can be, almost always, found through the complex band structure. The complex band structure of the semi-conducting material, however, does not predict the length dependence of the total transmission but only of the individual channels, at some k-points, due to multiple channels contributing to transmission. We also observe instances of vertical bands, some of which are the smallest |ki| complex bands, that do not contribute to transport. By understanding the deeper relationship between complex bands and individual transmission eigenchannels, we can make a general statement about when the previously accepted wisdom linking transmission and complex band structure will fail, namely, when multiple channels contribute significantly to the transmission.

Excitation Dependent Phosphorous Property and New Model of the Structured Green Luminescence in ZnO

NASA Astrophysics Data System (ADS)

Ye, Honggang; Su, Zhicheng; Tang, Fei; Wang, Mingzheng; Chen, Guangde; Wang, Jian; Xu, Shijie

2017-02-01

The copper induced green luminescence (GL) with two sets of fine structures in ZnO crystal has been found for several decades (i.e., R. Dingle, Phys. Rev. Lett. 23, 579 (1969)), but the physical origin of the doublet still remains as an open question up to now. In this paper, we provide new insight into the mechanism of the structured GL band in terms of new experimental findings and theoretical calculations. It is found, for the first time, that the GL signal exhibits persistent afterglow for tens of minutes after the switch-off of below-band-gap excitation light but it cannot occur under above-band-gap excitation. Such a phosphorous property may be interpreted as de-trapping and feeding of electrons from a shallow trapping level via the conduction band to the Cu-related luminescence centers where the Cu3+ ion is proposed to work as the final state of the GL emission. From first-principles calculation, such a Cu3+ ion in wurtzite ZnO prefers a high spin 3d8 state with two non-degenerated half-filled orbitals due to the Jahn-Teller effect, probably leading to the double structures in photoluminescence spectrum. Therefore, this model gives a comprehensively new understanding on the mechanism of the structured GL band in ZnO.

Retrieval of Snow Properties for Ku- and Ka-band Dual-Frequency Radar

NASA Technical Reports Server (NTRS)

Liao, Liang; Meneghini, Robert; Tokay, Ali; Bliven, Larry F.

2016-01-01

The focus of this study is on the estimation of snow microphysical properties and the associated bulk parameters such as snow water content and water equivalent snowfall rate for Ku- and Ka-band dual-frequency radar. This is done by exploring a suitable scattering model and the proper particle size distribution (PSD) assumption that accurately represent, in the electromagnetic domain, the micro/macro-physical properties of snow. The scattering databases computed from simulated aggregates for small-to-moderate particle sizes are combined with a simple scattering model for large particle sizes to characterize snow scattering properties over the full range of particle sizes. With use of the single-scattering results, the snow retrieval lookup tables can be formed in a way that directly links the Ku- and Ka-band radar reflectivities to snow water content and equivalent snowfall rate without use of the derived PSD parameters. A sensitivity study of the retrieval results to the PSD and scattering models is performed to better understand the dual-wavelength retrieval uncertainties. To aid in the development of the Ku- and Ka-band dual-wavelength radar technique and to further evaluate its performance, self-consistency tests are conducted using measurements of the snow PSD and fall velocity acquired from the Snow Video Imager Particle Image Probe (SVIPIP) duringthe winter of 2014 at the NASA Wallops Flight Facility site in Wallops Island, Virginia.

Retrieval of Snow Properties for Ku- and Ka-Band Dual-Frequency Radar

NASA Technical Reports Server (NTRS)

Liao, Liang; Meneghini, Robert; Tokay, Ali; Bliven, Larry F.

2016-01-01

The focus of this study is on the estimation of snow microphysical properties and the associated bulk parameters such as snow water content and water equivalent snowfall rate for Ku- and Ka-band dual-frequency radar. This is done by exploring a suitable scattering model and the proper particle size distribution (PSD) assumption that accurately represent, in the electromagnetic domain, the micro-macrophysical properties of snow. The scattering databases computed from simulated aggregates for small-to-moderate particle sizes are combined with a simple scattering model for large particle sizes to characterize snow-scattering properties over the full range of particle sizes. With use of the single-scattering results, the snow retrieval lookup tables can be formed in a way that directly links the Ku- and Ka-band radar reflectivities to snow water content and equivalent snowfall rate without use of the derived PSD parameters. A sensitivity study of the retrieval results to the PSD and scattering models is performed to better understand the dual-wavelength retrieval uncertainties. To aid in the development of the Ku- and Ka-band dual-wavelength radar technique and to further evaluate its performance, self-consistency tests are conducted using measurements of the snow PSD and fall velocity acquired from the Snow Video Imager Particle Image Probe (SVIPIP) during the winter of 2014 at the NASA Wallops Flight Facility site in Wallops Island, Virginia.

Isochrone Fitting of Hubble Photometry in UV–VIS–IR Bands

NASA Astrophysics Data System (ADS)

Barker, Hallie; Paust, Nathaniel E. Q.

2018-03-01

We present new isochrone fits to color–magnitude diagrams from Hubble Space Telescope Wide Field Camera 3 and Advanced Camera for Surveys photometry of the globular clusters M13 and M80 in five bands from the ultraviolet to near-infrared. Isochrone fits to the photometry using the Dartmouth Stellar Evolution Program (DSEP), the PAdova and TRieste Stellar Evolution Code (PARSEC), and MESA Isochrones and Stellar Tracks (MIST) are examined to study the isochrone morphology. Additionally, cluster ages, extinctions, and distances are found from the visible-infrared color–magnitude diagrams. We conduct careful qualitative analysis on the inconsistencies of the fits across twelve color combinations of the five observed bands, and find that the (F606W‑F814W) color generally produces very good fits, but that there are large discrepancies when the data is fit using colors including UV bands for all three models. We also find that the best fits in the UV are achieved using MIST isochrones, but that they require metallicities that are lower than the other two models, as well published spectroscopic values. Finally, we directly compare DSEP and PARSEC by performing isochrone-isochrone fitting, and find that, for globular cluster aged populations, similar appearing PARSEC isochrones are on average 1.5 Gyr younger than DSEP isochrones. We find that the two models become less discrepant at lower metallicities.

Band gap and conductivity variations of ZnO nano structured thin films annealed under Vacuum

NASA Astrophysics Data System (ADS)

Vattappalam, Sunil C.; Thomas, Deepu; T, Raju Mathew; Augustine, Simon; Mathew, Sunny

2015-02-01

Zinc Oxide thin films were prepared by Successive Ionic layer adsorption and reaction technique(SILAR). The samples were annealed under vacuum and conductivity of the samples were taken at different temperatures. UV Spectrograph of the samples were taken and the band gap of each sample was found from the data. All the results were compared with that of the sample annealed under air. It was observed that the band gap decreases and concequently conductivity of the samples increases when the samples are annealed under vacuum.

Band gap and conductivity variations of ZnO thin films by doping with Aluminium

NASA Astrophysics Data System (ADS)

Vattappalam, Sunil C.; Thomas, Deepu; T, Raju Mathew; Augustine, Simon; Mathew, Sunny

2015-02-01

Zinc Oxide thin films were prepared by Successive Ionic layer adsorption and reaction technique(SILAR). Aluminium was doped for different doping concentrations from 3 at.% to 12 at.% in steps of 3 at.%. Conductivity of the samples were taken at different temperatures. UV Spectrograph of the samples were taken and the band gap of each sample was found from the data. It was observed that as the doping concentration of Aluminium increases, the band gap of the samples decreases and concequently conductivity of the samples increases.

Effects of correlated hybridization in the single-impurity Anderson model

NASA Astrophysics Data System (ADS)

Líbero, Valter; Veiga, Rodrigo

2013-03-01

The development of new materials often dependents on the theoretical foundations which study the microscopic matter, i.e., the way atoms interact and create distinct configurations. Among the interesting materials, those with partially filled d or f orbitals immersed in nonmagnetic metals have been described by the Anderson model, which takes into account Coulomb correlation (U) when a local level (energy Ed) is doubled occupied, and an electronic hybridization between local levels and conduction band states. In addition, here we include a correlated hybridization term, which depends on the local-level occupation number involved. This term breaks particle-hole symmetry (even when U + 2Ed = 0), enhances charge fluctuations on local levels and as a consequence strongly modifies the crossover between the Hamiltonian fixed-points, even suppressing one or other. We exemplify these behaviors showing data obtained from the Numerical Renormalization Group (NRG) computation for the impurity temperature-dependent specific heat, entropy and magnetic susceptibility. The interleaving procedure is used to recover the continuum spectrum after the NRG-logarithmic discretization of the conduction band. Fundação de Amparo à Pesquisa do Estado de São Paulo - FAPESP.

Spectroscopic ellipsometry characterization of ZnO:Sn thin films with various Sn composition deposited by remote-plasma reactive sputtering

NASA Astrophysics Data System (ADS)

Janicek, Petr; Niang, Kham M.; Mistrik, Jan; Palka, Karel; Flewitt, Andrew J.

2017-11-01

ZnO:Sn thin films were deposited onto thermally oxidized silicon substrates using a remote plasma reactive sputtering. Their optical constants (refractive index n and extinction coefficient k) were determined from ellipsometric data recorded over a wide spectral range (0.05-6 eV). Parametrization of ZnO:Sn complex dielectric permittivity consists of a parameterized semiconductor oscillator function describing the short wavelength absorption edge, a Drude oscillator describing free carrier absorption in near-infrared part of spectra and a Lorentz oscillator describing the long wavelength absorption edge and intra-band absorption in the ultra-violet part of the spectra. Using a Mott-Davis model, the increase in local disorder with increasing Sn doping is quantified from the short wavelength absorption edge onset. Using the Wemple-DiDomenico single oscillator model for the transparent part of the optical constants spectra, an increase in the centroid distance of the valence and conduction bands with increasing Sn doping is shown and only slight increase in intensity of the inter-band optical transition due to Sn doping occurs. The Drude model applied in the near-infrared part of the spectra revealed the free carrier concentration and mobility of ZnO:Sn. Results show that the range of transparency of prepared ZnO:Sn layers is not dramatically affected by Sn doping whereas electrical conductivity could be controlled by Sn doping. Refractive index in the transparent part is comparable with amorphous Indium Gallium Zinc Oxide allowing utilization of prepared ZnO:Sn layers as an indium-free alternative.

Characterization of electronic structure of periodically strained graphene

DOE PAGES

Aslani, Marjan; Garner, C. Michael; Kumar, Suhas; ...

2015-11-03

We induced periodic biaxial tensile strain in polycrystalline graphene by wrapping it over a substrate with repeating pillar-like structures with a periodicity of 600 nm. Using Raman spectroscopy, we determined to have introduced biaxial strains in graphene in the range of 0.4% to 0.7%. Its band structure was characterized using photoemission from valance bands, shifts in the secondary electron emission, and x-ray absorption from the carbon 1s levels to the unoccupied graphene conduction bands. It was observed that relative to unstrained graphene, strained graphene had a higher work function and higher density of states in the valence and conduction bands.more » Furthermore, we measured the conductivity of the strained and unstrained graphene in response to a gate voltage and correlated the changes in their behavior to the changes in the electronic structure. From these sets of data, we propose a simple band diagram representing graphene with periodic biaxial strain.« less

Tuning optical properties of transparent conducting barium stannate by dimensional reduction

DOE PAGES

Li, Yuwei; Zhang, Lijun; Ma, Yanming; ...

2015-01-30

We report calculations of the electronic structure and optical properties of doped n-type perovskite BaSnO 3 and layered perovskites. While doped BaSnO 3 retains its transparency for energies below the valence to conduction band onset, the doped layered compounds exhibit below band edge optical conductivity due to transitions from the lowest conduction band. This gives absorption in the visible for Ba 2SnO 4. It is important to minimize this phase in transparent conducting oxide (TCO) films. Ba 3Sn 2O 7 and Ba 4Sn 3O 10 have strong transitions only in the red and infrared, respectively. Thus, there may be opportunitiesmore » for using these as wavelength filtering TCO.« less

The photochemistry of manganese and the origin of banded iron formations

NASA Technical Reports Server (NTRS)

Anbar, A. D.; Holland, H. D.

1992-01-01

The origin of the deposition of superior-type Precambrian banded iron formations (BIFs) is investigated in experiments where the effect of UV radiation on dissolved manganese was studied to determine if the commonly accepted photochemical model for BIF formation is consistent with the distribution of Mn in BIFs. Solutions containing 0.56 M NaCl and about 180 microM MnCl2, with or without 3 to 200 microM FeCl2 were irradiated with filtered and unfiltered UV light for up to 8 hrs; the solutions were deaerated and buffered to a pH of 7, and the experiments were conducted under oxygen-free atmosphere. Data on the rate of manganese photooxidation confirmed that a photochemical model for the origin of oxide facies BIFs is consistent with field observations.

Preliminary Results from the AFRL-NASA W/V-Band Terrestrial Link Experiment in Albuquerque, NM

NASA Technical Reports Server (NTRS)

Zemba, Michael; Nessel, James; Houts, Jacquelynne; Tarasenko, Nicholas; Lane, Steven; Murrell, David

2016-01-01

Atmospheric propagation models and the measurements that train them are critical to the design of efficient and effective space-ground links. As communication systems advance to higher frequencies in search of higher data rates and open spectrum, a lack of data at these frequencies necessitates new measurements to properly develop, validate, and refine the models used for link budgeting and system design. In collaboration with the Air Force Research Laboratory (AFRL), NASA Glenn Research Center has deployed the WV-band Terrestrial Link Experiment (WTLE) in Albuquerque, NM to conduct a measurement campaign at 72 and 84 GHz, among the first atmospheric propagation measurements at these frequencies. WTLE has been operational since October 1, 2015, and the system design shall be herein discussed alongside preliminary results and performance.

Infrared and Terahertz Lasers on SI Using Novel Group-IV Alloys

DTIC Science & Technology

2011-11-30

gain at 2,883 nm is comparable with those of many conventional III-V semiconductor lasers. On the other hand, a waveguide design was also presented ...other conduction-band valleys (", X) are above the L-valley band edge of the Ge0.76Si0.19Sn0.05 barrier. This band alignment presents a desirable...the QCL structure based upon Ge/ Ge0.76Si0.19Sn0.05 QWs. Only L-valley conduction- band lineups are shown in the potential diagram under an applied

Spin-splitting calculation for zincblende semiconductors using an atomic bond-orbital model.

PubMed

Kao, Hsiu-Fen; Lo, Ikai; Chiang, Jih-Chen; Chen, Chun-Nan; Wang, Wan-Tsang; Hsu, Yu-Chi; Ren, Chung-Yuan; Lee, Meng-En; Wu, Chieh-Lung; Gau, Ming-Hong

2012-10-17

We develop a 16-band atomic bond-orbital model (16ABOM) to compute the spin splitting induced by bulk inversion asymmetry in zincblende materials. This model is derived from the linear combination of atomic-orbital (LCAO) scheme such that the characteristics of the real atomic orbitals can be preserved to calculate the spin splitting. The Hamiltonian of 16ABOM is based on a similarity transformation performed on the nearest-neighbor LCAO Hamiltonian with a second-order Taylor expansion k at the Γ point. The spin-splitting energies in bulk zincblende semiconductors, GaAs and InSb, are calculated, and the results agree with the LCAO and first-principles calculations. However, we find that the spin-orbit coupling between bonding and antibonding p-like states, evaluated by the 16ABOM, dominates the spin splitting of the lowest conduction bands in the zincblende materials.

Spectral characteristics and the extent of paleosols of the Palouse formation

NASA Technical Reports Server (NTRS)

Frazier, B. E.; Busacca, Alan; Cheng, Yaan; Wherry, David; Hart, Judy; Gill, Steve

1987-01-01

Three spectral models defining the spatial distribution of soil areas by levels of amorphous iron, organic carbon, and the ratio of amorphous iron to organic carbon were developed and field verification studies were conducted. The models used particular Thematic Mapper band ratios selected by statistical correlation with soil chemical data. The ability of the models to indicate erosion severity and to differentiate between iron enriched and carbonate paleosols is discussed. In addition, the effect of vegetation cover on paleosols is addressed.

Crystal and electronic structure of copper sulfides

NASA Astrophysics Data System (ADS)

Lukashev, Pavel

Copper sulfides with different copper concentration exist in mineral form ranging from CuS to Cu2S. Among these, chalcosite Cu 2S, and digenite Cu1.8S were the subject of extensive research for decades mainly because of their use as the absorber in photovoltaic cells. Yet; their electronic structure is poorly understood because their crystal structure is complex. Most of the results published so far report the semiconducting nature of these compounds with the energy band gap being in the range of 0.84 to 1.9 eV. The crystal structure consists of a close-packed lattice of S with mobile Cu occupying various types of interstitial sites with a statistical distribution depending on temperature. In this thesis we present the first computational study of their electronic band structure. Initially, we investigated the simpler antifluorite structure. Both local density approximation (LDA) and self-consistent quasiparticle GW calculations with the full-potential linearized muffin-tin orbital method give a semimetallic band structure. Inspection of the nature of the bands shows that the lowest conduction band is mainly Cu-s-like except right near the center of the Brillouin zone where a Cu-s-like state lies about 1 eV below the valence band maximum. Significantly, in GW calculations, this state shifts up by several 0.1 eV but not sufficiently to open a gap. A random distortion of the Cu atoms from the perfect antifluorite positions is found to break the degeneracy of the d state at the Gamma-point and thus opens up a small gap of about 0.1 eV in LDA. As our next step we constructed supercell models for the cubic and hexagonal phases with the Cu positions determined by a weighted random number generator. The low temperature monoclinic phase was also studied. The computed total energies of these structures follow the same order as the reported phases with increasing temperatures. All these models gave similar small band gaps of order 0.1-0.2 eV. However, their conduction band is now mainly s-like and addition of an expected Cu-s level shift opens the gap to about 0.5 eV. Some simpler hexagonal model structures gave slightly larger band gap but were found to be unrealistic. The optical absorption data all show a strong intraband absorption with a minimum in absorption at about 1 eV. Our calculations suggest a significantly lower gap of order 0.5 eV with low absorption cross section, the true nature of which is masked by the free carrier absorption. As part of our study of the related Cu-compounds, we analyzed the quasiparticle effects beyond LDA obtained from a GW calculation on the effective masses and Kohn-Luttinger hamiltonian parameters for CuBr.

Effect of U on the electronic properties of neodymium gallate (NdGaO3): theoretical and experimental studies.

PubMed

Reshak, Ali Hussain; Piasecki, M; Auluck, S; Kityk, I V; Khenata, R; Andriyevsky, B; Cobet, C; Esser, N; Majchrowski, A; Swirkowicz, M; Diduszko, R; Szyrski, W

2009-11-19

We have performed a density functional calculation for the centrosymmetric neodymium gallate using a full-potential linear augmented plane wave method with the LDA and LDA+U exchange correlation. In particular, we explored the influence of U on the band dispersion and optical transitions. Our calculations show that U = 0.55 Ry gives the best agreement with our ellipsometry data taken in the VUV spectral range with a synchrotron source. Our LDA+U (U = 0.55) calculation shows that the valence band maximum (VBM) is located at T and the conduction band minimum (CBM) is located at the center of the Brillouin zone, resulting in a wide indirect energy band gap of about 3.8 eV in excellent agreement with our experiment. The partial density of states show that the upper valence band originates predominantly from Nd-f and O-p states, with a small admixture of Nd-s/p and Ga-p B-p states, while the lower conduction band prevailingly originates from the Nd-f and Nd-d terms with a small contribution of O-p-Ga-s/p states. The Nd-f states in the upper valence band and lower conduction band have a significant influence on the energy band gap dispersion which is illustrated by our calculations. The calculated frequency dependent optical properties show a small positive uniaxial anisotropy.

The effects of the chemical composition and strain on the electronic properties of GaSb/InAs core-shell nanowires

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

Ning, Feng; Wang, Dan; Tang, Li-Ming, E-mail: lmtang@hnu.edu.cn

2014-09-07

The effects of the chemical composition and strain on the electronic properties of [111] zinc-blende (ZB) and [0001] wurtzite (WZ) GaSb/InAs core-shell nanowires (NWs) with different core diameters and shell thicknesses are studied using first-principles methods. The band structures of the [111] ZB GaSb/InAs core-shell NWs underwent a noticeable type-I/II band alignment transition, associated with a direct-to-indirect band gap transition under a compressive uniaxial strain. The band structures of the [0001] WZ GaSb/InAs core-shell NWs preserved the direct band gap under either compressive or tensile uniaxial strains. In addition, the band gaps and the effective masses of the carriers couldmore » be tuned by their composition. For the core-shell NWs with a fixed GaSb-core size, the band gaps decreased linearly with an increasing InAs-shell thickness, caused by the significant downshift of the conduction bands. For the [111] ZB GaSb/InAs core-shell NWs, the calculated effective masses indicated that the transport properties could be changed from hole-dominated conduction to electron-dominated conduction by changing the InAs-shell thickness.« less

Spectral Characteristics of Salinized Soils during Microbial Remediation Processes.

PubMed

Ma, Chuang; Shen, Guang-rong; Zhi, Yue-e; Wang, Zi-jun; Zhu, Yun; Li, Xian-hua

2015-09-01

In this study, the spectral reflectance of saline soils, the associated soil salt content (SSC) and the concentrations of salt ions were measured and analysed by tracing the container microbial remediation experiments for saline soil (main salt is sodium chloride) of Dongying City, Shandong Province. The sensitive spectral reflectance bands of saline soils to SSC, Cl- and Na+ in the process of microbial remediation were analysed. The average-dimension reduction of these bands was conducted by using a combination of correlation coefficient and decision coefficient, and by gradually narrowing the sampling interval method. Results showed that the tendency and magnitude of the average spectral reflectance in all bands of saline soils during the total remediation processes were nearly consistent with SSC and with Cl- coocentration, respectively. The degree of salinity of the soil, including SSC and salt ion concentrations, had a significant positive correlation with the spectral reflectance of all bands, particularly in the near-infrared band. The optimal spectral bands of SSC were 1370 to 1445 nm and 1447 to 1608 nm, whereas the optimal spectral bands of Cl- and Na+ were 1336 to 1461 nm and 1471 to 1561 nm, respectively. The relationship model among SSC, soil salt ion concentrations (Cl- and Na+) and soil spectral reflectance of the corresponding optimal spectral band was established. The largest R2 of relationship model between SSC and the average reflectance of associated optimal band reached to 0.95, and RMSEC and RMSEP were 1.076 and 0.591, respectively. Significant statistical analysis of salt factors and soil reflectance for different microbial remediation processes indicated that the spectral response characteristics and sensitivity of SSC to soil reflectance, which implied the feasibility of high spectrum test on soil microbial remediation monitoring, also provided the basis for quick nondestructive monitoring soil bioremediation process by soil spectral reflectance.

Many-body theory of effective mass in degenerate semiconductors

NASA Astrophysics Data System (ADS)

Tripathi, G. S.; Shadangi, S. K.

2018-03-01

We derive the many-body theory of the effective mass in the effective mass representation (EMR). In the EMR, we need to solve the equation of motion of an electron in the presence of electron-electron interactions, where the wavefunction is expanded over a complete set of Luttinger-Kohn wavefunctions. We use the Luttinger-Ward thermodynamic potential and the Green’s function perturbation to derive an expression for the band effective mass by taking into account the electron-electron interactions. Both quasi-particle and the correlation contributions are considered. We show that had we considered only the quasi-particle contribution, we would have missed important cancellations. Thus the correlated motion of electrons has important effects in the renormalization of the effective mass. Considering the exchange self-energy in the band model, we derive a tractable expression for the band effective mass. We apply the theory to n-type degenerate semiconductors, PbTe and SnTe, and analyze the impact of the theory on the anisotropic effective mass of the conduction bands in these systems.

A low-temperature study of manganese-induced ferromagnetism and valence band convergence in tin telluride

DOE PAGES

Chi, Hang; Tan, Gangjian; Kanatzidis, Mercouri G.; ...

2016-05-02

In this study, SnTe is renowned for its promise in advancing energy-related technologies based on thermoelectricity and for its topological crystalline insulator character. Here, we demonstrate that each Mn atom introduces ~4 μ B (Bohr magneton) of magnetic moment to Sn 1–xMn xTe. The Curie temperatureTC reaches ~14K for x = 0.12, as observed in the field dependent hysteresis of magnetization and the anomalous Hall effect. In accordance with a modified two-band electronic Kane model, the light L-valence-band and the heavy Σ-valence-band gradually converge in energy with increasing Mn concentration, leading to a decreasing ordinary Hall coefficient R H andmore » a favorably enhanced Seebeck coefficient S at the same time. With the thermal conductivityκ lowered chiefly via point defects associated with the incorporation of Mn, the strategy of Mn doping also bodes well for efficient thermoelectric applications at elevated temperatures.« less

The structural, electronic and optical properties of Nd doped ZnO using first-principles calculations

NASA Astrophysics Data System (ADS)

Wen, Jun-Qing; Zhang, Jian-Min; Chen, Guo-Xiang; Wu, Hua; Yang, Xu

2018-04-01

The density functional theory calculations using general gradient approximation (GGA) applying Perdew-Burke-Ernzerhof (PBE) as correlation functional have been systematically performed to research the formation energy, the electronic structures, band structures, total and partial DOS, and optical properties of Nd doping ZnO with the content from 6.25% to 12.5%. The formation energies are negative for both models, which show that two structures are energetically stable. Nd doping ZnO crystal is found to be a direct band gap semiconductor and Fermi level shifts upward into conduction band, which show the properties of n-type semiconductor. Band structures are more compact after Nd doping ZnO, implying that Nd doping induces the strong interaction between different atoms. Nd doping ZnO crystal presents occupied states at near Fermi level, which mainly comes from the Nd 4f orbital. The calculated optical properties imply that Nd doping causes a red-shift of absorption peaks, and enhances the absorption of the visible light.

All-optical materials design of chiral edge modes in transition-metal dichalcogenides

DOE PAGES

Claassen, Martin; Jia, Chunjing; Moritz, Brian; ...

2016-10-10

Monolayer transition-metal dichalcogenides are novel materials which at low energies constitute a condensed-matter realization of massive relativistic fermions in two dimensions. Here, we show that this picture breaks for optical pumping—instead, the added complexity of a realistic materials description leads to a new mechanism to optically induce topologically protected chiral edge modes, facilitating optically switchable conduction channels that are insensitive to disorder. In contrast to graphene and previously discussed toy models, the underlying mechanism relies on the intrinsic three-band nature of transition-metal dichalcogenide monolayers near the band edges. Photo-induced band inversions scale linearly in applied pump field and exhibit transitionsmore » from one to two chiral edge modes on sweeping from red to blue detuning. As a result, we develop an ab initio strategy to understand non-equilibrium Floquet–Bloch bands and topological transitions, and illustrate for WS 2 that control of chiral edge modes can be dictated solely from symmetry principles and is not qualitatively sensitive to microscopic materials details.« less

All-optical materials design of chiral edge modes in transition-metal dichalcogenides

PubMed Central

Claassen, Martin; Jia, Chunjing; Moritz, Brian; Devereaux, Thomas P.

2016-01-01

Monolayer transition-metal dichalcogenides are novel materials which at low energies constitute a condensed-matter realization of massive relativistic fermions in two dimensions. Here, we show that this picture breaks for optical pumping—instead, the added complexity of a realistic materials description leads to a new mechanism to optically induce topologically protected chiral edge modes, facilitating optically switchable conduction channels that are insensitive to disorder. In contrast to graphene and previously discussed toy models, the underlying mechanism relies on the intrinsic three-band nature of transition-metal dichalcogenide monolayers near the band edges. Photo-induced band inversions scale linearly in applied pump field and exhibit transitions from one to two chiral edge modes on sweeping from red to blue detuning. We develop an ab initio strategy to understand non-equilibrium Floquet–Bloch bands and topological transitions, and illustrate for WS2 that control of chiral edge modes can be dictated solely from symmetry principles and is not qualitatively sensitive to microscopic materials details. PMID:27721504

Quasiparticle Scattering in the Rashba Semiconductor BiTeBr: The Roles of Spin and Defect Lattice Site.

PubMed

Butler, Christopher John; Yang, Po-Ya; Sankar, Raman; Lien, Yen-Neng; Lu, Chun-I; Chang, Luo-Yueh; Chen, Chia-Hao; Wei, Ching-Ming; Chou, Fang-Cheng; Lin, Minn-Tsong

2016-09-28

Observations of quasiparticle interference have been used in recent years to examine exotic carrier behavior at the surfaces of emergent materials, connecting carrier dispersion and scattering dynamics to real-space features with atomic resolution. We observe quasiparticle interference in the strongly Rashba split 2DEG-like surface band found at the tellurium termination of BiTeBr and examine two mechanisms governing quasiparticle scattering: We confirm the suppression of spin-flip scattering by comparing measured quasiparticle interference with a spin-dependent elastic scattering model applied to the calculated spectral function. We also use atomically resolved STM maps to identify point defect lattice sites and spectro-microscopy imaging to discern their varying scattering strengths, which we understand in terms of the calculated orbital characteristics of the surface band. Defects on the Bi sublattice cause the strongest scattering of the predominantly Bi 6p derived surface band, with other defects causing nearly no scattering near the conduction band minimum.

Controllably Inducing and Modeling Optical Response from Graphene Oxide

NASA Astrophysics Data System (ADS)

Lombardo, Nicholas; Naumov, Anton

Graphene, a novel 2-dimensional sp2-hybridized allotrope of Carbon, has unique electrical and mechanical properties. While it is naturally a highly conductive zero band gap semiconductor, graphene does not exhibit optical emission. It has been shown that functionalization with oxygen-containing groups elicits an opening of band gap in graphene. In this work, we aim to induce an optical response in graphene via controlled oxidation, and then explore potential origins of its photoluminescence through mathematical modeling. We employ timed ozone treatment of initially non-fluorescent reduced graphene oxide (RGO) to produce graphene oxide (GO) with specific optical properties. Oxidized material exhibits substantial changes in the absorption spectra and a broad photoluminescence feature, centered at 532 nm, which suggests the appearance of a band gap. We then explore a number of possible mechanisms for the origin of GO photoluminescence via PM3 and ab initio calculations on a functionalized single sheet of graphene. By adjusting modeling parameters to fit experimentally obtained optical transition energies we estimate the size of the sp2 graphitic regions in GO and the arrangement of functional groups that could be responsible for the observed emission.

Cellular and Network Mechanisms Underlying Information Processing in a Simple Sensory System

NASA Technical Reports Server (NTRS)

Jacobs, Gwen; Henze, Chris; Biegel, Bryan (Technical Monitor)

2002-01-01

Realistic, biophysically-based compartmental models were constructed of several primary sensory interneurons in the cricket cercal sensory system. A dynamic atlas of the afferent input to these cells was used to set spatio-temporal parameters for the simulated stimulus-dependent synaptic inputs. We examined the roles of dendritic morphology, passive membrane properties, and active conductances on the frequency tuning of the neurons. The sensitivity of narrow-band low pass interneurons could be explained entirely by the electronic structure of the dendritic arbors and the dynamic sensitivity of the SIZ. The dynamic characteristics of interneurons with higher frequency sensitivity required models with voltage-dependent dendritic conductances.

Landau quantization and quasiparticle interference in the three-dimensional Dirac semimetal Cd₃As₂.

PubMed

Jeon, Sangjun; Zhou, Brian B; Gyenis, Andras; Feldman, Benjamin E; Kimchi, Itamar; Potter, Andrew C; Gibson, Quinn D; Cava, Robert J; Vishwanath, Ashvin; Yazdani, Ali

2014-09-01

Condensed-matter systems provide a rich setting to realize Dirac and Majorana fermionic excitations as well as the possibility to manipulate them for potential applications. It has recently been proposed that chiral, massless particles known as Weyl fermions can emerge in certain bulk materials or in topological insulator multilayers and give rise to unusual transport properties, such as charge pumping driven by a chiral anomaly. A pair of Weyl fermions protected by crystalline symmetry effectively forming a massless Dirac fermion has been predicted to appear as low-energy excitations in a number of materials termed three-dimensional Dirac semimetals. Here we report scanning tunnelling microscopy measurements at sub-kelvin temperatures and high magnetic fields on the II-V semiconductor Cd3As2. We probe this system down to atomic length scales, and show that defects mostly influence the valence band, consistent with the observation of ultrahigh-mobility carriers in the conduction band. By combining Landau level spectroscopy and quasiparticle interference, we distinguish a large spin-splitting of the conduction band in a magnetic field and its extended Dirac-like dispersion above the expected regime. A model band structure consistent with our experimental findings suggests that for a magnetic field applied along the axis of the Dirac points, Weyl fermions are the low-energy excitations in Cd3As2.

Ab-initio modeling of electromechanical coupling at Si surfaces

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

Hoppe, Sandra; Müller, Stefan, E-mail: stefan.mueller@tuhh.de; Michl, Anja

The electromechanical coupling at the silicon (100) and (111) surfaces was studied via density functional theory by calculating the response of the ionization potential and the electron affinity to different types of strain. We find a branched strain response of those two quantities with different coupling coefficients for negative and positive strain values. This can be attributed to the reduced crystal symmetry due to anisotropic strain, which partially lifts the degeneracy of the valence and conduction bands. Only the Si(111) electron affinity exhibits a monotonously linear strain response, as the conduction band valleys remain degenerate under strain. The strain responsemore » of the surface dipole is linear and seems to be dominated by volume changes. Our results may help to understand the mechanisms behind electromechanical coupling at an atomic level in greater detail and for different electronic and atomic structures.« less

Revisiting the origin of satellites in core-level photoemission of transparent conducting oxides: The case of n -doped SnO2

NASA Astrophysics Data System (ADS)

Borgatti, Francesco; Berger, J. A.; Céolin, Denis; Zhou, Jianqiang Sky; Kas, Joshua J.; Guzzo, Matteo; McConville, C. F.; Offi, Francesco; Panaccione, Giancarlo; Regoutz, Anna; Payne, David J.; Rueff, Jean-Pascal; Bierwagen, Oliver; White, Mark E.; Speck, James S.; Gatti, Matteo; Egdell, Russell G.

2018-04-01

The longstanding problem of interpretation of satellite structures in core-level photoemission spectra of metallic systems with a low density of conduction electrons is addressed using the specific example of Sb-doped SnO2. Comparison of ab initio many-body calculations with experimental hard x-ray photoemission spectra of the Sn 4 d states shows that strong satellites are produced by coupling of the Sn core hole to the plasma oscillations of the free electrons introduced by doping. Within the same theoretical framework, spectral changes of the valence band spectra are also related to dynamical screening effects. These results demonstrate that, for the interpretation of electron correlation features in the core-level photoelectron spectra of such narrow-band materials, going beyond the homogeneous electron gas electron-plasmon coupling model is essential.

Electronic structures of [001]- and [111]-oriented InSb and GaSb free-standing nanowires

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

Liao, Gaohua; Department of Applied Physics and Key Laboratory for Micro-Nano Physics and Technology of Hunan Province, Hunan University, Changsha 410082; Luo, Ning

We report on a theoretical study of the electronic structures of InSb and GaSb nanowires oriented along the [001] and [111] crystallographic directions. The nanowires are described by atomistic, tight-binding models, including spin-orbit interaction. The band structures and the wave functions of the nanowires are calculated by means of a Lanczos iteration algorithm. For the [001]-oriented InSb and GaSb nanowires, the systems with both square and rectangular cross sections are considered. Here, it is found that all the energy bands are doubly degenerate. Although the lowest conduction bands in these nanowires show good parabolic dispersions, the top valence bands showmore » rich and complex structures. In particular, the topmost valence bands of the nanowires with a square cross section show a double maximum structure. In the nanowires with a rectangular cross section, this double maximum structure is suppressed, and the top valence bands gradually develop into parabolic bands as the aspect ratio of the cross section is increased. For the [111]-oriented InSb and GaSb nanowires, the systems with hexagonal cross sections are considered. It is found that all the bands at the Γ-point are again doubly degenerate. However, some of them will split into non-degenerate bands when the wave vector moves away from the Γ-point. Although the lowest conduction bands again show good parabolic dispersions, the topmost valence bands do not show the double maximum structure. Instead, they show a single maximum structure with its maximum at a wave vector slightly away from the Γ-point. The wave functions of the band states near the band gaps of the [001]- and [111]-oriented InSb and GaSb nanowires are also calculated and are presented in terms of probability distributions in the cross sections. It is found that although the probability distributions of the band states in the [001]-oriented nanowires with a rectangular cross section could be qualitatively described by one-band effective mass theory, the probability distributions of the band states in the [001]-oriented nanowires with a square cross section and the [111]-oriented nanowires with a hexagonal cross section show characteristic patterns with symmetries closely related to the irreducible representations of the relevant double point groups and, in general, go beyond the prediction of a simple one-band effective mass theory. We also investigate the effects of quantum confinement on the band structures of the [001]- and [111]-oriented InSb and GaSb nanowires and present an empirical formula for the description of quantization energies of the band edge states in the nanowires, which could be used to estimate the enhancement of the band gaps of the nanowires as a result of quantum confinement. The size dependencies of the electron and hole effective masses in these nanowires are also investigated and discussed.« less

Electronic structures of [001]- and [111]-oriented InSb and GaSb free-standing nanowires

NASA Astrophysics Data System (ADS)

Liao, Gaohua; Luo, Ning; Yang, Zhihu; Chen, Keqiu; Xu, H. Q.

2015-09-01

We report on a theoretical study of the electronic structures of InSb and GaSb nanowires oriented along the [001] and [111] crystallographic directions. The nanowires are described by atomistic, tight-binding models, including spin-orbit interaction. The band structures and the wave functions of the nanowires are calculated by means of a Lanczos iteration algorithm. For the [001]-oriented InSb and GaSb nanowires, the systems with both square and rectangular cross sections are considered. Here, it is found that all the energy bands are doubly degenerate. Although the lowest conduction bands in these nanowires show good parabolic dispersions, the top valence bands show rich and complex structures. In particular, the topmost valence bands of the nanowires with a square cross section show a double maximum structure. In the nanowires with a rectangular cross section, this double maximum structure is suppressed, and the top valence bands gradually develop into parabolic bands as the aspect ratio of the cross section is increased. For the [111]-oriented InSb and GaSb nanowires, the systems with hexagonal cross sections are considered. It is found that all the bands at the Γ-point are again doubly degenerate. However, some of them will split into non-degenerate bands when the wave vector moves away from the Γ-point. Although the lowest conduction bands again show good parabolic dispersions, the topmost valence bands do not show the double maximum structure. Instead, they show a single maximum structure with its maximum at a wave vector slightly away from the Γ-point. The wave functions of the band states near the band gaps of the [001]- and [111]-oriented InSb and GaSb nanowires are also calculated and are presented in terms of probability distributions in the cross sections. It is found that although the probability distributions of the band states in the [001]-oriented nanowires with a rectangular cross section could be qualitatively described by one-band effective mass theory, the probability distributions of the band states in the [001]-oriented nanowires with a square cross section and the [111]-oriented nanowires with a hexagonal cross section show characteristic patterns with symmetries closely related to the irreducible representations of the relevant double point groups and, in general, go beyond the prediction of a simple one-band effective mass theory. We also investigate the effects of quantum confinement on the band structures of the [001]- and [111]-oriented InSb and GaSb nanowires and present an empirical formula for the description of quantization energies of the band edge states in the nanowires, which could be used to estimate the enhancement of the band gaps of the nanowires as a result of quantum confinement. The size dependencies of the electron and hole effective masses in these nanowires are also investigated and discussed.

Metal insulator transition in nickel substituted FeSi

NASA Astrophysics Data System (ADS)

Krishnan, M.; Mishra, Ashish; Singh, Durgesh; Venkatesh, R.; Gangrade, Mohan; Ganesan, V.

2018-04-01

Resistivity of Fe1-xNixSi has been reported. Metal Insulator transition (MIT) is observed in Nickel (Ni) substituted FeSi for x in the range from 2 to 4 percentage. Two Band Model has been employed in order to calculate activation energy and to predict how band structure renormalized with substitution of nickel in FeSi. At sufficient level of nickel concentration an impurity band forms around Fermi level and contributes to the conduction heavily at low temperatures. Concentration around x = 0.04, displays metallic property below ˜ 70 K and is quantitatively similar to systems like Fe1-xTxSi (T = Co, Mn). Metallic component thus derived from Ni substituted FeSi seems to have an unconventional temperature dependence that may be attributed to the onset of departures from Fermi liquid picture.

Theoretical studies of optics and charge transport in organic conducting oligomers and polymers: Rational design of improved transparent and conducting polymers

NASA Astrophysics Data System (ADS)

Hutchison, Geoffrey Rogers

Theoretical studies on a variety of oligo- and polyheterocycles elucidate their optical and charge transport properties, suggesting new, improved transparent conductive polymers. First-principles calculations provide accurate methodologies for predicting both optical band gaps of neutral and cationic oligomers and intrinsic charge transfer rates. Multidimensional analysis reveals important motifs in chemical tailorability of oligoheterocycle optical and charge transport properties. The results suggest new directions for design of novel materials. Using both finite oligomer and infinite polymer calculations, the optical band gaps in polyheterocycles follow a modified particle-in-a-box formalism, scaling approximately as 1/N (where N is the number of monomer units) in short chains, saturating for long chains. Calculations demonstrate that band structure changes upon heteroatom substitution, (e.g., from polythiophene to polypyrrole) derive from heteroatom electron affinity. Further investigation of chemical variability in substituted oligoheterocycles using multidimensional statistics reveals the interplay between heteroatom and substituent in correlations between structure and redox/optical properties of neutral and cationic species. A linear correlation between band gaps of neutral and cationic species upon oxidation of conjugated oligomers, shows redshifts of optical absorption for most species and blueshifts for small band gap species. Interstrand charge-transport studies focus on two contributors to hopping-style charge transfer rates: internal reorganization energy and the electronic coupling matrix element. Statistical analysis of chemical variability of reorganization energies in oligoheterocycles proves the importance of reorganization energy in determining intrinsic charge transfer rates (e.g., charge mobility in unsubstituted oligothiophenes). Computed bandwidths across several oligothiophene crystal packing motifs show similar electron and hole bandwidths, and show that well-known tilted and herringbone motifs in oligothiophenes are driven by electrostatic repulsion. Tilted stacks exhibit intrinsic charge-transfer rates smaller than cofacial stacks, but with lower packing energy. Given similar electron and hole bandwidths, a charge injection model explains substitution-modulated majority carrier changes in n- and p-type oligothiophene field-effect transistors.

Field dependence of the vortex core size probed by scanning tunneling microscopy

DOE PAGES

Fente, A.; Herrera, E.; Guillamón, I.; ...

2016-07-29

We study the spatial distribution of the density of states (DOS) at zero bias N(r) in the mixed state of single and multigap superconductors. We provide an analytic expression for N(r) based on deGennes' relationship between DOS and the order parameter that reproduces well scanning tunneling microscopy (STM) data in several superconducting materials. In the single gap superconductor β-Bi 2 Pd, we find that N(r) is governed by a length scale ξ H =more » $$\\sqrt{Φ0/2πH}$$ which decreases in rising fields. The vortex core size $C$ ∝ (d Δ/dr| r→0) ₋1 differs from ξ H by a material dependent numerical factor. The new data on the tunneling conductance and vortex lattice of the 2H-NbSe 1.8S 0.2 show the in-plane isotropic vortices, suggesting that substitutional scattering removes the in-plane anisotropy found in the two-gap superconductor 2H-NbSe 2. We fit the tunneling conductance of 2H-NbSe 1.8S 0.2 to a two gap model and calculate the vortex core size $C$ for each band. We find that $C$ is field independent and has the same value for both bands. We also analyze the two-band superconductor 2H-NbSe 2 and find the same result. Lastly, we conclude that, independently of the magnetic field induced variation of the order parameter values in both bands, the spatial variation of the order parameter close to the vortex core is the same for all bands.« less

Field dependence of the vortex core size probed by scanning tunneling microscopy

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

Fente, A.; Herrera, E.; Guillamón, I.

We study the spatial distribution of the density of states (DOS) at zero bias N(r) in the mixed state of single and multigap superconductors. We provide an analytic expression for N(r) based on deGennes' relationship between DOS and the order parameter that reproduces well scanning tunneling microscopy (STM) data in several superconducting materials. In the single gap superconductor β-Bi 2 Pd, we find that N(r) is governed by a length scale ξ H =more » $$\\sqrt{Φ0/2πH}$$ which decreases in rising fields. The vortex core size $C$ ∝ (d Δ/dr| r→0) ₋1 differs from ξ H by a material dependent numerical factor. The new data on the tunneling conductance and vortex lattice of the 2H-NbSe 1.8S 0.2 show the in-plane isotropic vortices, suggesting that substitutional scattering removes the in-plane anisotropy found in the two-gap superconductor 2H-NbSe 2. We fit the tunneling conductance of 2H-NbSe 1.8S 0.2 to a two gap model and calculate the vortex core size $C$ for each band. We find that $C$ is field independent and has the same value for both bands. We also analyze the two-band superconductor 2H-NbSe 2 and find the same result. Lastly, we conclude that, independently of the magnetic field induced variation of the order parameter values in both bands, the spatial variation of the order parameter close to the vortex core is the same for all bands.« less

Enhancing the performance of tungsten doped InZnO thin film transistors via sequential ambient annealing

NASA Astrophysics Data System (ADS)

Park, Hyun-Woo; Song, Aeran; Kwon, Sera; Choi, Dukhyun; Kim, Younghak; Jun, Byung-Hyuk; Kim, Han-Ki; Chung, Kwun-Bum

2018-03-01

This study suggests a sequential ambient annealing process as an excellent post-treatment method to enhance the device performance and stability of W (tungsten) doped InZnO thin film transistors (WIZO-TFTs). Sequential ambient annealing at 250 °C significantly enhanced the device performance and stability of WIZO-TFTs, compared with other post-treatment methods, such as air ambient annealing and vacuum ambient annealing at 250 °C. To understand the enhanced device performance and stability of WIZO-TFT with sequential ambient annealing, we investigate the correlations between device performance and stability and electronic structures, such as band alignment, a feature of the conduction band, and band edge states below the conduction band. The enhanced performance of WIZO-TFTs with sequential ambient annealing is related to the modification of the electronic structure. In addition, the dominant mechanism responsible for the enhanced device performance and stability of WIZO-TFTs is considered to be a change in the shallow-level and deep-level band edge states below the conduction band.

Identifying Communities of Vulnerability: Using NASA's Multiangle Imaging Spectroradiometer to Enhance Public Health Tracking of Particle Exposure in Los Angeles - An Empirical Approach to Examining L1 MISR Radiance Measurements and PM2.5 Relationships

NASA Astrophysics Data System (ADS)

Laygo, K.; Kontgis, C.; Hollins, A.

2011-12-01

Los Angeles is consistently ranked as one of the most polluted cities in the United States, exhibiting high levels of both ozone and particulate matter. Particulate matter with an aerodynamic diameter of 2.5 microns or less, or PM2.5, is of special concern for health professionals, since it is fine enough to be inhaled into the lungs. Additionally, studies show that it is associated with respiratory disease risks such as asthma. Remote sensing technologies have the potential to be useful in air pollution health studies, but have so far been sparsely implemented. Satellite-derived measurements would be especially useful in air pollution studies, since the concentrations of interest can change by orders of magnitude over small distances. However, with current remote sensing technologies, it is difficult to predict pollution levels within small areas. This study utilizes remote sensing information in combination with a ground-based network of data to create a more comprehensive approach to tracking public health concerns. According to the 2007 NRC Decadal Survey, there is a continued need for research that establishes the relationship between remotely sensed data and predicting public health risks related to environmental factors. For this study, we conducted linear regression models using Multi-Angle Imaging SpectroRadiometer (MISR) L1 radiance data and ground-based PM2.5 measurements from 13 EPA stations within the Los Angeles Metropolitan Statistical Area. MISR senses in 4 bands (visible blue, green, red and near infrared) and 9 separate angles, producing a total of 36 bands. Using all 36 bands, we generated models for each station individually and for all stations combined. Two time periods were assessed: June, July and August from 2000 - 2009, and all months from 2009. Summer months were looked at specifically, since pollution levels tend to be higher than other parts of the year due to strong inversion layers and low rainfall levels. Generally, the models performed well, suggesting that MISR radiances are able to accurately predict levels of PM2.5. For 2009 data, all models had R-squared values over 0.93. For summer month data, the model R-square values were markedly lower and more varied than for the 2009 data, ranging from 0.33 - 0.92. When looking at the 2009 data, non-summer month models performed better than did summer-month models. A brief analysis of temperature data indicates that temperature and deviation from the norm are not associated with model predictability. All 36 MISR channels were plotted against their weights for each model, but no band combination obviously weighed more than other bands. Further research needs to be conducted to understand why models were able to predict 2009 PM2.5 levels, but were unable to accurately fit summer data from 2000 - 2009.

Distribution of Chern number by Landau level broadening in Hofstadter butterfly

NASA Astrophysics Data System (ADS)

Yoshioka, Nobuyuki; Matsuura, Hiroyasu; Ogata, Masao

2015-04-01

We discuss the relationship between the quantum Hall conductance and a fractal energy band structure, Hofstadter butterfly, on a square lattice under a magnetic field. At first, we calculate the Hall conductance of Hofstadter butterfly on the basis of the linear responce theory. By classifying the bands into some groups with a help of continued fraction expansion, we find that the conductance at the band gaps between the groups accord with the denominators of fractions obtained by aborting the expansion halfway. The broadening of Landau levels is given as an account of this correspondance.

A Unifying Perspective on Oxygen Vacancies in Wide Band Gap Oxides.

PubMed

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.

Intrinsic quantum spin Hall and anomalous Hall effects in h-Sb/Bi epitaxial growth on a ferromagnetic MnO2 thin film.

PubMed

Zhou, Jian; Sun, Qiang; Wang, Qian; Kawazoe, Yoshiyuki; Jena, Puru

2016-06-07

Exploring a two-dimensional intrinsic quantum spin Hall state with a large band gap as well as an anomalous Hall state in realizable materials is one of the most fundamental and important goals for future applications in spintronics, valleytronics, and quantum computing. Here, by combining first-principles calculations with a tight-binding model, we predict that Sb or Bi can epitaxially grow on a stable and ferromagnetic MnO2 thin film substrate, forming a flat honeycomb sheet. The flatness of Sb or Bi provides an opportunity for the existence of Dirac points in the Brillouin zone, with its position effectively tuned by surface hydrogenation. The Dirac points in spin up and spin down channels split due to the proximity effects induced by MnO2. In the presence of both intrinsic and Rashba spin-orbit coupling, we find two band gaps exhibiting a large band gap quantum spin Hall state and a nearly quantized anomalous Hall state which can be tuned by adjusting the Fermi level. Our findings provide an efficient way to realize both quantized intrinsic spin Hall conductivity and anomalous Hall conductivity in a single material.

Dielectric function of a model insulator

NASA Astrophysics Data System (ADS)

Rezvani, G. A.; Friauf, Robert J.

1993-04-01

We have calculated a dielectric response function ɛ(q,ω) using the random-phase approximation for a model insulator originally proposed by Fry [Phys. Rev. 179, 892 (1969)]. We treat narrow and wide band-gap insulators for the purpose of using results in the simulation of secondary-electron emission from insulators. Therefore, it is important to take into account the contribution of the first and second conduction bands. For the real part of the dielectric function we perform a numerical principal value integration over the first and second Brillouin zone. For the imaginary part we perform a numerical integration involving the δ function that results from the conservation of energy. In order to check the validity of our numerical integration methods we perform a Kramers-Kronig transform of the real part and compare it with the directly calculated imaginary part and vice versa. We discuss fitting the model to the static dielectric constant and the f-sum rule. Then we display the wave number and frequency dependence for solid argon, KCl, and model Si.

Measurement and Modeling of Narrowband Channels for Ultrasonic Underwater Communications

PubMed Central

Cañete, Francisco J.; López-Fernández, Jesús; García-Corrales, Celia; Sánchez, Antonio; Robles, Encarnación; Rodrigo, Francisco J.; Paris, José F.

2016-01-01

Underwater acoustic sensor networks are a promising technology that allow real-time data collection in seas and oceans for a wide variety of applications. Smaller size and weight sensors can be achieved with working frequencies shifted from audio to the ultrasonic band. At these frequencies, the fading phenomena has a significant presence in the channel behavior, and the design of a reliable communication link between the network sensors will require a precise characterization of it. Fading in underwater channels has been previously measured and modeled in the audio band. However, there have been few attempts to study it at ultrasonic frequencies. In this paper, a campaign of measurements of ultrasonic underwater acoustic channels in Mediterranean shallow waters conducted by the authors is presented. These measurements are used to determine the parameters of the so-called κ-μ shadowed distribution, a fading model with a direct connection to the underlying physical mechanisms. The model is then used to evaluate the capacity of the measured channels with a closed-form expression. PMID:26907281

Facile fabrication of high-performance InGaZnO thin film transistor using hydrogen ion irradiation at room temperature

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

Ahn, Byung Du; Park, Jin-Seong; Chung, K. B., E-mail: kbchung@dongguk.edu

Device performance of InGaZnO (IGZO) thin film transistors (TFTs) are investigated as a function of hydrogen ion irradiation dose at room temperature. Field effect mobility is enhanced, and subthreshold gate swing is improved with the increase of hydrogen ion irradiation dose, and there is no thermal annealing. The electrical device performance is correlated with the electronic structure of IGZO films, such as chemical bonding states, features of the conduction band, and band edge states below the conduction band. The decrease of oxygen deficient bonding and the changes in electronic structure of the conduction band leads to the improvement of devicemore » performance in IGZO TFT with an increase of the hydrogen ion irradiation dose.« 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.

Differential conductance (dI/dV) imaging of a heterojunction-nanorod

NASA Astrophysics Data System (ADS)

Kundu, Biswajit; Bera, Abhijit; Pal, Amlan J.

2017-03-01

Through scanning tunneling spectroscopy, we envisage imaging a heterostructure, namely a junction formed in a single nanorod. While the differential conductance spectrum provides location of conduction and valence band edges, dI/dV images record energy levels of materials. Such dI/dV images at different voltages allowed us to view p- and n-sections of heterojunction nanorods and more importantly the depletion region in such a junction that has a type-II band alignment. Viewing of selective sections in a heterojunction occurred due to band-bending in the junction and is correlated to the density of states spectrum of the individual semiconductors. The dI/dV images recorded at different voltages could be used to generate a band diagram of a pn junction.

Lithium intercalation in sputter deposited antimony-doped tin oxide thin films: Evidence from electrochemical and optical measurements

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

Montero, J., E-mail: jose.montero@angstrom.uu.se; Granqvist, C. G.; Niklasson, G. A.

2014-04-21

Transparent conducting oxides are used as transparent electrical contacts in a variety of applications, including in electrochromic smart windows. In the present work, we performed a study of transparent conducting antimony-doped tin oxide (ATO) thin films by chronopotentiometry in a Li{sup +}-containing electrolyte. The open circuit potential vs. Li was used to investigate ATO band lineups, such as those of the Fermi level and the ionization potential, as well as the dependence of these lineups on the preparation conditions for ATO. Evidence was found for Li{sup +} intercalation when a current pulse was set in a way so as tomore » drive ions from the electrolyte into the ATO lattice. Galvanostatic intermittent titration was then applied to determine the lithium diffusion coefficient within the ATO lattice. The electrochemical density of states of the conducting oxide was studied by means of the transient voltage recorded during the chronopotentiometry experiments. These measurements were possible because, as Li{sup +} intercalation took place, charge compensating electrons filled the lowest part of the conduction band in ATO. Furthermore, the charge insertion modified the optical properties of ATO according to the Drude model.« less

Modeling electron emission and surface effects from diamond cathodes

NASA Astrophysics Data System (ADS)

Dimitrov, D. A.; Smithe, D.; Cary, J. R.; Ben-Zvi, I.; Rao, T.; Smedley, J.; Wang, E.

2015-02-01

We developed modeling capabilities, within the Vorpal particle-in-cell code, for three-dimensional simulations of surface effects and electron emission from semiconductor photocathodes. They include calculation of emission probabilities using general, piece-wise continuous, space-time dependent surface potentials, effective mass, and band bending field effects. We applied these models, in combination with previously implemented capabilities for modeling charge generation and transport in diamond, to investigate the emission dependence on applied electric field in the range from approximately 2 MV/m to 17 MV/m along the [100] direction. The simulation results were compared to experimental data. For the considered parameter regime, conservation of transverse electron momentum (in the plane of the emission surface) allows direct emission from only two (parallel to [100]) of the six equivalent lowest conduction band valleys. When the electron affinity χ is the only parameter varied in the simulations, the value χ = 0.31 eV leads to overall qualitative agreement with the probability of emission deduced from experiments. Including band bending in the simulations improves the agreement with the experimental data, particularly at low applied fields, but not significantly. Using surface potentials with different profiles further allows us to investigate the emission as a function of potential barrier height, width, and vacuum level position. However, adding surface patches with different levels of hydrogenation, modeled with position-dependent electron affinity, leads to the closest agreement with the experimental data.

Interband magneto-spectroscopy in InSb square and parabolic quantum wells

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

Kasturiarachchi, T.; Edirisooriya, M.; Mishima, T. D.

We measure the magneto-optical absorption due to intersubband optical transitions between conduction and valence subband Landau levels in InSb square and parabolic quantum wells. InSb has the narrowest band gap (0.24 eV at low temperature) of the III–V semiconductors leading to a small effective mass (0.014 m{sub 0}) and a large g–factor (−51). As a result, the Landau level spacing is large at relatively small magnetic fields (<8 T), and one can observe spin-splitting of the Landau levels. We examine two structures: (i) a multiple-square-well structure and (ii) a structure containing multiple parabolic wells. The energies and intensities of the strongest featuresmore » are well explained by a modified Pidgeon-Brown model based on an 8-band k•p model that explicitly incorporates pseudomorphic strain. The strain is essential for obtaining agreement between theory and experiment. While modeling the square well is relatively straight-forward, the parabolic well consists of 43 different layers of various thickness to approximate a parabolic potential. Agreement between theory and experiment for the parabolic well validates the applicability of the model to complicated structures, which demonstrates the robustness of our model and confirms its relevance for developing electronic and spintronic devices that seek to exploit the properties of the InSb band structure.« less

Organic Electronic Devices Using Crosslinked Polyelectrolyte Multilayers as an Ultra-Thin Dielectric Material

DTIC Science & Technology

2006-09-01

energy band diagram illustrating the allowed energies for valence and conducting electrons. The dashes within the band gap (Eg) represent localized ...allowed energies for valence and conducting electrons. The dashes within the band gap (Eg) represent localized electron energy states, or traps, that...been observed with the formation of alternating bond lengths along the backbone.43 The localization of the π-electrons while forming the shorter double

Optoelectronics and defect levels in hydroxyapatite by first-principles.

PubMed

Avakyan, Leon A; Paramonova, Ekaterina V; Coutinho, José; Öberg, Sven; Bystrov, Vladimir S; Bugaev, Lusegen A

2018-04-21

Hydroxyapatite (HAp) is an important component of mammal bones and teeth, being widely used in prosthetic implants. Despite the importance of HAp in medicine, several promising applications involving this material (e.g., in photo-catalysis) depend on how well we understand its fundamental properties. Among the ones that are either unknown or not known accurately, we have the electronic band structure and all that relates to it, including the bandgap width. We employ state-of-the-art methodologies, including density hybrid-functional theory and many-body perturbation theory within the dynamically screened single-particle Green's function approximation, to look at the optoelectronic properties of HAp. These methods are also applied to the calculation of defect levels. We find that the use of a mix of (semi-)local and exact exchange in the exchange-correlation functional brings a drastic improvement to the band structure. Important side effects include improvements in the description of dielectric and optical properties not only involving conduction band (excited) states but also the valence. We find that the highly dispersive conduction band bottom of HAp originates from anti-bonding σ* states along the ⋯OH-OH-⋯ infinite chain, suggesting the formation of a conductive 1D-ice phase. The choice of the exchange-correlation treatment to the calculation of defect levels was also investigated by using the OH-vacancy as a testing model. We find that donor and acceptor transitions obtained within semi-local density functional theory (DFT) differ from those of hybrid-DFT by almost 2 eV. Such a large discrepancy emphasizes the importance of using a high-quality description of the electron-electron interactions in the calculation of electronic and optical transitions of defects in HAp.

Optoelectronics and defect levels in hydroxyapatite by first-principles

NASA Astrophysics Data System (ADS)

Avakyan, Leon A.; Paramonova, Ekaterina V.; Coutinho, José; Öberg, Sven; Bystrov, Vladimir S.; Bugaev, Lusegen A.

2018-04-01

Hydroxyapatite (HAp) is an important component of mammal bones and teeth, being widely used in prosthetic implants. Despite the importance of HAp in medicine, several promising applications involving this material (e.g., in photo-catalysis) depend on how well we understand its fundamental properties. Among the ones that are either unknown or not known accurately, we have the electronic band structure and all that relates to it, including the bandgap width. We employ state-of-the-art methodologies, including density hybrid-functional theory and many-body perturbation theory within the dynamically screened single-particle Green's function approximation, to look at the optoelectronic properties of HAp. These methods are also applied to the calculation of defect levels. We find that the use of a mix of (semi-)local and exact exchange in the exchange-correlation functional brings a drastic improvement to the band structure. Important side effects include improvements in the description of dielectric and optical properties not only involving conduction band (excited) states but also the valence. We find that the highly dispersive conduction band bottom of HAp originates from anti-bonding σ* states along the ⋯OH-OH-⋯ infinite chain, suggesting the formation of a conductive 1D-ice phase. The choice of the exchange-correlation treatment to the calculation of defect levels was also investigated by using the OH-vacancy as a testing model. We find that donor and acceptor transitions obtained within semi-local density functional theory (DFT) differ from those of hybrid-DFT by almost 2 eV. Such a large discrepancy emphasizes the importance of using a high-quality description of the electron-electron interactions in the calculation of electronic and optical transitions of defects in HAp.

A drain current model for amorphous InGaZnO thin film transistors considering temperature effects

NASA Astrophysics Data System (ADS)

Cai, M. X.; Yao, R. H.

2018-03-01

Temperature dependent electrical characteristics of amorphous InGaZnO (a-IGZO) thin film transistors (TFTs) are investigated considering the percolation and multiple trapping and release (MTR) conduction mechanisms. Carrier-density and temperature dependent carrier mobility in a-IGZO is derived with the Boltzmann transport equation, which is affected by potential barriers above the conduction band edge with Gaussian-like distributions. The free and trapped charge densities in the channel are calculated with Fermi-Dirac statistics, and the field effective mobility of a-IGZO TFTs is then deduced based on the MTR theory. Temperature dependent drain current model for a-IGZO TFTs is finally derived with the obtained low field mobility and free charge density, which is applicable to both non-degenerate and degenerate conductions. This physical-based model is verified by available experiment results at various temperatures.

Infrared radiation models for atmospheric methane

NASA Technical Reports Server (NTRS)

Cess, R. D.; Kratz, D. P.; Caldwell, J.; Kim, S. J.

1986-01-01

Mutually consistent line-by-line, narrow-band and broad-band infrared radiation models are presented for methane, a potentially important anthropogenic trace gas within the atmosphere. Comparisons of the modeled band absorptances with existing laboratory data produce the best agreement when, within the band models, spurious band intensities are used which are consistent with the respective laboratory data sets, but which are not consistent with current knowledge concerning the intensity of the infrared fundamental band of methane. This emphasizes the need for improved laboratory band absorptance measurements. Since, when applied to atmospheric radiation calculations, the line-by-line model does not require the use of scaling approximations, the mutual consistency of the band models provides a means of appraising the accuracy of scaling procedures. It is shown that Curtis-Godson narrow-band and Chan-Tien broad-band scaling provide accurate means of accounting for atmospheric temperature and pressure variations.

Cyclotron resonance and interband optical transitions in HgTe/CdTe(0 1 3) quantum well heterostructures

NASA Astrophysics Data System (ADS)

Ikonnikov, A. V.; Zholudev, M. S.; Spirin, K. E.; Lastovkin, A. A.; Maremyanin, K. V.; Aleshkin, V. Ya; Gavrilenko, V. I.; Drachenko, O.; Helm, M.; Wosnitza, J.; Goiran, M.; Mikhailov, N. N.; Dvoretskii, S. A.; Teppe, F.; Diakonova, N.; Consejo, C.; Chenaud, B.; Knap, W.

2011-12-01

Cyclotron resonance spectra of 2D electrons in HgTe/CdxHg1-xTe (0 1 3) quantum well (QW) heterostructures with inverted band structure have been thoroughly studied in quasiclassical magnetic fields versus the electron concentration varied using the persistent photoconductivity effect. The cyclotron mass is shown to increase with QW width in contrast to QWs with normal band structure. The measured values of cyclotron mass are shown to be systematically less than those calculated using the 8 × 8 Kane model with conventional set of HgTe and CdTe material parameters. In quantizing pulsed magnetic fields (Landau level filling factor less than unity) up to 45 T, both intraband (CR) and interband magnetoabsorption have been studied at radiation wavelengths 14.8 and 11.4 µm for the first time. The results obtained are compared with the allowed transition energies between Landau levels in the valence and conduction bands calculated within the same model, the calculated energies being again systematically less (by 3-14%) than the observed optical transition energies.

Effects of strong interactions in a half-metallic magnet: A determinant quantum Monte Carlo study

DOE PAGES

Jiang, M.; Pickett, W. E.; Scalettar, R. T.

2013-04-03

Understanding the effects of electron-electron interactions in half-metallic magnets (HMs), which have band structures with one gapped spin channel and one metallic channel, poses fundamental theoretical issues as well as having importance for their potential applications. Here we use determinant quantum Monte Carlo to study the impacts of an on-site Hubbard interaction U, finite temperature, and an external (Zeeman) magnetic field on a bilayer tight-binding model which is a half-metal in the absence of interactions, by calculating the spectral density, conductivity, spin polarization of carriers, and local magnetic properties. We quantify the effect of U on the degree of thermalmore » depolarization, and follow relative band shifts and monitor when significant gap states appear, each of which can degrade the HM character. For this model, Zeeman coupling induces, at fixed particle number, two successive transitions: compensated half-metal with spin-down band gap → metallic ferromagnet → saturated ferromagnetic insulator. However, over much of the more relevant parameter regime, the half-metallic properties are rather robust to U.« less

[Exploring novel hyperspectral band and key index for leaf nitrogen accumulation in wheat].

PubMed

Yao, Xia; Zhu, Yan; Feng, Wei; Tian, Yong-Chao; Cao, Wei-Xing

2009-08-01

The objectives of the present study were to explore new sensitive spectral bands and ratio spectral indices based on precise analysis of ground-based hyperspectral information, and then develop regression model for estimating leaf N accumulation per unit soil area (LNA) in winter wheat (Triticum aestivum L.). Three field experiments were conducted with different N rates and cultivar types in three consecutive growing seasons, and time-course measurements were taken on canopy hyperspectral reflectance and LNA tinder the various treatments. By adopting the method of reduced precise sampling, the detailed ratio spectral indices (RSI) within the range of 350-2 500 nm were constructed, and the quantitative relationships between LNA (gN m(-2)) and RSI (i, j) were analyzed. It was found that several key spectral bands and spectral indices were suitable for estimating LNA in wheat, and the spectral parameter RSI (990, 720) was the most reliable indicator for LNA in wheat. The regression model based on the best RSI was formulated as y = 5.095x - 6.040, with R2 of 0.814. From testing of the derived equations with independent experiment data, the model on RSI (990, 720) had R2 of 0.847 and RRMSE of 24.7%. Thus, it is concluded that the present hyperspectral parameter of RSI (990, 720) and derived regression model can be reliably used for estimating LNA in winter wheat. These results provide the feasible key bands and technical basis for developing the portable instrument of monitoring wheat nitrogen status and for extracting useful spectral information from remote sensing images.

Widely tunable band gap in a multivalley semiconductor SnSe by potassium doping

NASA Astrophysics Data System (ADS)

Zhang, Kenan; Deng, Ke; Li, Jiaheng; Zhang, Haoxiong; Yao, Wei; Denlinger, Jonathan; Wu, Yang; Duan, Wenhui; Zhou, Shuyun

2018-05-01

SnSe, a group IV-VI monochalcogenide with layered crystal structure similar to black phosphorus, has recently attracted extensive interest due to its excellent thermoelectric properties and potential device applications. Experimental electronic structure of both the valence and conduction bands is critical for understanding the effects of hole versus electron doping on the thermoelectric properties, and to further reveal possible change of the band gap upon doping. Here, we report the multivalley valence bands with a large effective mass on semiconducting SnSe crystals and reveal single-valley conduction bands through electron doping to provide a complete picture of the thermoelectric physics. Moreover, by electron doping through potassium deposition, the band gap of SnSe can be widely tuned from 1.2 eV to 0.4 eV, providing new opportunities for tunable electronic and optoelectronic devices.

Controlling the optical properties of polyaniline doped by boric acid particles by changing their doping agent and initiator concentration

NASA Astrophysics Data System (ADS)

Cabuk, Mehmet; Gündüz, Bayram

2017-12-01

In this study, polyaniline doped by boric acid (PAni:BA) conducting polymers were chemically synthesized by oxidative polymerization method using (NH4)2S208 (APS) as initiator. Pani:BA conducting polymers were synthesized by using two different APS/aniline molar ratios as 1:1 and 2:1. Their results were compared with PAni doped by HCl (PAni) conducting polymer. Structural properties of the PAni, PAni:BA (1:1) and PAni:BA (2:1) conducting polymers were characterized by using FTIR, SEM, TGA, particle size and apparent density measurements. Effects of doping agents and initiator concentrations on optical properties were investigated in detail. The optoelectronic parameters such as absorption band edge, molar extinction coefficient, direct allowed band gap, refractive index, optical conductance and electrical conductance of the PAni, PAni:BA (1:1) and PAni:BA (2:1) were determined. The absorption band edge and direct allowed band gap of PAni were decreased with doping BA and increasing APS ratio. Also, the refractive index values of the materials were calculated from experimental results and compared with obtained results from Moss, Ravindra, Herve-Vandamme, Reddy and Kumar-Singh relations.

Energy spectrum and electrical conductivity of graphene with a nitrogen impurity

NASA Astrophysics Data System (ADS)

Repetskii, S. P.; Vyshivanaya, I. G.; Skotnikov, V. A.; Yatsenyuk, A. A.

2015-04-01

The electronic structure of graphene with a nitrogen impurity has been studied based on the model of tight binding using exchange-correlation potentials in the density-functional theory. Wave functions of 2 s and 2 p states of neutral noninteracting carbon atoms have been chosen as the basis. When studying the matrix elements of the Hamiltonian, the first three coordination shells have been taken into account. It has been established that the hybridization of electron-energy bands leads to the splitting of the electron energy spectrum near the Fermi level. Due to the overlap of the energy bands, the arising gap behaves as a quasi-gap, in which the density of the electron levels is much lower than in the rest of the spectrum. It has been established that the conductivity of graphene decreases with increasing nitrogen concentration. Since the increase in the nitrogen concentration leads to an increase in the density of states at the Fermi level, the decrease in the conductivity is due to a sharper decrease in the time of relaxation of the electron sates.

Structural and electrical properties of nickel substituted cadmium ferrite

NASA Astrophysics Data System (ADS)

Chethan, B.; Raj Prakash, H. G.; Vijayakumari, S. C.; Ravikiran, Y. T.

2018-05-01

Spinal nano-sized Cadmium ferrite (CD) and Nickel substituted cadmium ferrite (NSCF) were fabricated by sol-gel auto combustion method. The formation of spinal structure of ferrite materials was confirmed by X-ray diffraction (XRD) analysis. The crystallites size of CF and NSCF as determined by Scherrer's formula were found to be 24.73 nm and 17.70 nm respectively. comparative study of Fourier transform infrared spectroscopy (FTIR) of CF and NSCF revealed tetrahedral absorption bands shifted slightly towards higher frequency where as octahedral bands shifted towards lower frequency side confirming interfacial interaction between Ni and CF. The AC conductivity (σ), loss tangent (tan δ) and complex plane impedance plots for both CF and NSCF are determined at various frequencies ranging from 50 kHz to 5 MHz and comparatively analyzed. The increase in AC conductivity of the NSCF nano particles as compared to CF was explained in the light of hopping model. The impedance measurement of NSCF show presence of a semi-circle corresponding to the grain boundary resistance and hence shows that the conductivity takes place largely through grain boundaries.

Non-Fermi-liquid and topological states with strong spin-orbit coupling.

PubMed

Moon, Eun-Gook; Xu, Cenke; Kim, Yong Baek; Balents, Leon

2013-11-15

We argue that a class of strongly spin-orbit-coupled materials, including some pyrochlore iridates and the inverted band gap semiconductor HgTe, may be described by a minimal model consisting of the Luttinger Hamiltonian supplemented by Coulomb interactions, a problem studied by Abrikosov and collaborators. It contains twofold degenerate conduction and valence bands touching quadratically at the zone center. Using modern renormalization group methods, we update and extend Abrikosov's classic work and show that interactions induce a quantum critical non-Fermi-liquid phase, stable provided time-reversal and cubic symmetries are maintained. We determine the universal power-law exponents describing various observables in this Luttinger-Abrikosov-Beneslavskii state, which include conductivity, specific heat, nonlinear susceptibility, and the magnetic Gruneisen number. Furthermore, we determine the phase diagram in the presence of cubic and/or time-reversal symmetry breaking perturbations, which includes a topological insulator and Weyl semimetal phases. Many of these phases possess an extraordinarily large anomalous Hall effect, with the Hall conductivity scaling sublinearly with magnetization σ(xy)∼M0.51.

Electronic structure and bonding of intergranular glassy films in polycrystalline Si3 N4 : Ab initio studies and classical molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Rulis, P.; Chen, J.; Ouyang, L.; Ching, W.-Y.; Su, X.; Garofalini, S. H.

2005-06-01

The electronic structure and bonding of a realistic model of an intergranular glassy film (IGF) was studied with multiple computational methods. The model has a Si-O-N glassy region sandwiched between crystalline basal planes of β-Si3N4 and contains a total of 798 atoms. It was constructed with periodic boundary conditions via classical molecular dynamics (MD) techniques using an accurate multibody atomic potential. The model was then further relaxed by the VASP (Vienna ab initio simulation package) program. It is shown that the VASP-relaxed structure reduces the total energy from the MD-relaxed structure by only 47.38eV , validating the accuracy of the multiatom potential used. The calculated electronic structure shows the IGF model to be an insulator with a sizable gap of almost 3eV . Quasidefectlike states can be identified near the band edges arising from the more strained Si-N and Si-O bonds at the interface. Calculation of the Mulliken effective charge and bond order values indicates that the bonds in the glassy region and at the interface can be enhanced and weakened by distortions in the bond length and bond angle. The states at the top of the valence band are derived mostly from the crystalline part of the Si-N bonding while the states at the bottom of the conduction band are dominated by the Si-O bonding in the glassy region. Calculation of the electrostatic potential across the interface shows an average band offset of about 1.5eV between the crystalline β-Si3N4 and the glassy Si-O-N region which could be related to the space charge model for IGF.

Ability of Magnetic Resonance Elastography to Assess Taut Bands

PubMed Central

Chen, Qingshan; Basford, Jeffery; An, Kai-Nan

2008-01-01

Background Myofascial taut bands are central to diagnosis of myofascial pain. Despite their importance, we still lack either a laboratory test or imaging technique capable of objectively confirming either their nature or location. This study explores the ability of magnetic resonance elastography to localize and investigate the mechanical properties of myofascial taut bands on the basis of their effects on shear wave propagation. Methods This study was conducted in three phases. The first involved the imaging of taut bands in gel phantoms, the second a finite element modeling of the phantom experiment, and the third a preliminary evaluation involving eight human subjects-four of whom had, and four of whom did not have myofascial pain. Experiments were performed with a 1.5 Tesla magnetic resonance imaging scanner. Shear wave propagation was imaged and shear stiffness was reconstructed using matched filtering stiffness inversion algorithms. Findings The gel phantom imaging and finite element calculation experiments supported our hypothesis that taut bands can be imaged based on its outstanding shear stiffness. The preliminary human study showed a statistically significant 50-100% (p=0.01) increase of shear stiffness in the taut band regions of the involved subjects relative to that of the controls or in nearby uninvolved muscle. Interpretation This study suggests that magnetic resonance elastography may have a potential for objectively characterizing myofascial taut bands that have been up to now detectable only by the clinician's fingers. PMID:18206282

The model of self-compensation and pinning of the Fermi level in irradiated semiconductors

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

Brudnyi, V. N.; Kolin, N. G.; Smirnov, L. S.

2007-09-15

A model is developed to analyze numerically the electrical properties and the steady-state (limiting) position of the Fermi level (F{sub lim}) in tetrahedral semiconductors irradiated with high-energy particles. It is shown that an irradiated semiconductor represents a highly compensated material, in which F{sub lim} is identical to /2, where is the average energy gap between the conduction band and valence band within the entire Brillouin zone of the crystal. The experimental values of F{sub lim}, the calculated values of /2, and the data on the electrical properties of irradiated semiconductors are presented. The chemical trends controllingmore » the variation in the quantity F{sub lim} in groups of semiconductors with the similar types of chemical bonding are analyzed.« less

Influence of the ``second gap'' on the optical absorption of transparent conducting oxides

NASA Astrophysics Data System (ADS)

Ha, Viet-Anh; Waroquiers, David; Rignanese, Gian-Marco; Hautier, Geoffroy

Transparent conducting oxides (TCOs) are critical to many technologies (e.g., thin-film solar cells, flat-panel displays or organic light-emitting diodes). TCOs are heavily doped (n or p-type) oxides that satisfy many design criteria such as high transparency to visible light (i.e., a band gap > 3 eV), high concentration and mobility of carriers (leading to high conductivity), ... In such (highly doped) systems, optical transitions from the conduction band minimum to higher energy bands in n-type or from lower energy bands to the valence band maximum in p-type are possible and can degrade transparency. In fact, it has been claimed that a high energy (> 3eV) for any of these transitions made possible by doping, commonly referred as a high ``second gap'', is a necessary design criterion for high performance TCOs. Here, we study the influence of this second gap on the transparency of doped TCOs by using ab initio calculations within the random phase approximation (RPA) for several well-known p-type and n-type TCOs. Our work highlights how the second gap affects the transparency of doped TCOs, shining light on more accurate design criteria for high performance TCOs.

Suitability of II-VI semiconductors for photonic applications: common-anion versus common-cation superlattices

NASA Astrophysics Data System (ADS)

Tit, Nacir

2003-12-01

Based on the sp3s tight-binding method, the electronic band strcutures of both common-anion and common-cation II-VI superlattices (SLs) are investigated. As models, we took for the former the case of CdTe/ZnTe(001) SLs where the common anion is confirmed to yield a vanishing or a small valence-band offset (VBO) and the biaxial strain, of course, contributes in the valence-band splittings and yield type-I SLs in most of the studied cases. Whereas, we tok as a second model two different SLs: the ZnS/ZnSe(001) and ZnSe/ZnTe(001) SLs. We have confirmed that the common-cation SLs cannot have a vanishing conduction-band offsets (CBO), as speculated, but rather the CBO could be as large as the VBO. The biaxial strain, again, can participate here in the formation of the band offsets and yield either type-I SLs, as in the case of the ZnS/ZnSe, or type-II SLs, as in the case of ZnSe/ZnTe. Moreover, the reason why some type-II SLs, such as ZnSe/ZnTe(001), could be useful as photonic devices is explained by the tendency of the carriers to confine near the interface as a result of a strong photoluminenscence data and conclusions have been drawn about the strain morpholgy and the structural and optical qualities of the experimental samples.

Excitonic Phase Diagram of the Three-Chain Hubbard Model for Semiconducting and Semimetallic Ta2NiSe5

NASA Astrophysics Data System (ADS)

Domon, Kaoru; Yamada, Takemi; Ōno, Yoshiaki

2018-05-01

Transition metal chalcogenide Ta2NiSe5, a promising material for the excitonic insulator, is investigated on the basis of the three-chain Hubbard model with two conduction (c) bands and one valence (f) band. In the semimetallic case where only one of two c bands and the f band cross the Fermi level, the transition from the c-f compensated semimetal to the uniform excitonic order, the so-called excitonic insulator, takes place at low temperature as the same as in the semiconducting case. On the other hand, when another c band also crosses the Fermi level, the system shows three types of Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) excitonic orders characterized by the condensation of excitons with finite center-of-mass momentum q corresponding to the three types of nesting vectors between the imbalanced two c and one f Fermi surfaces. The obtained FFLO excitonic states are metallic in contrast to the excitonic insulator and are expected to be observed in the semimetallic Ta2NiSe5 under high pressure. The effect of the electron-lattice coupling is also discussed briefly and is found to induce the monoclinic distortion not only in the uniform excitonic state but also in the FFLO one resulting in the orthorhombic-monoclinic structural phase transition for both cases as observed in Ta2NiSe5 for both low-pressure semiconducting and high-pressure semimetallic regimes.

The Structure and Emission Model of the Relativistic Jet in the Quasar 3C 279 Inferred From Radio To High-Energy Gamma-Ray Observations in 2008-2010

NASA Technical Reports Server (NTRS)

2012-01-01

We present time-resolved broad-band observations of the quasar 3C 279 obtained from multiwavelength campaigns conducted during the first two years of the Fermi Gamma-ray Space Telescope mission. While investigating the previously reported gamma-ray/optical flare accompanied by a change in optical polarization, we found that the optical emission appears delayed with respect to the gamma-ray emission by about 10 days. X-ray observations reveal a pair of 'isolated' flares separated. by approx. 90 days, with only weak gamma-ray/optical counterparts. The spectral structure measured by Spitzer reveals a synchrotron component peaking in the mid-infrared band with a sharp break at the far-infrared band during the gamma-ray flare, while the peak appears in the mm/sub-mm band in the low state. Selected spectral energy distributions are fitted with leptonic models including Comptonization of external radiation produced in a dusty torus or the broad-line region. Adopting the interpretation of the polarization swing involving propagation of the emitting region along a curved trajectory, we can explain the evolution of the broad-band spectra during the gamma-ray flaring event by a shift of its location from approx. 1 pc to approx. 4 pc from the central black hole. On the other hand, if the gamma-ray flare is generated instead at sub-pc distance from the central black hole, the far-infrared break can be explained by synchrotron self-absorption. We also model the low spectral state, dominated by the mm/sub-mm peaking synchrotron component, and suggest that the corresponding inverse-Compton component explains the steady X-ray emission.

Implications of orbital hybridization on the electronic properties of doped quantum dots: the case of Cu:CdSe

NASA Astrophysics Data System (ADS)

Wright, Joshua T.; Forsythe, Kyle; Hutchins, Jamie; Meulenberg, Robert W.

2016-04-01

This paper investigates how chemical dopants affect the electronic properties of CdSe quantum dots (QDs) and why a model that incorporates the concepts of orbital hybridization must be used to understand these properties. Extended X-ray absorption fine structure spectroscopy measurements show that copper dopants in CdSe QDs occur primarily through a statistical doping mechanism. Ultraviolet photoemission spectroscopy (UPS) experiments provide a detailed insight on the valence band (VB) structure of doped and undoped QDs. Using UPS measurements, we are able to observe photoemission from the Cu d-levels above VB maximum of the QDs which allows a complete picture of the energy band landscape of these materials. This information provides insights into many of the physical properties of doped QDs, including the highly debated near-infrared photoluminescence in Cu doped CdSe QDs. We show that all our results point to a common theme of orbital hybridization in Cu doped CdSe QDs which leads to optically and electronically active states below the conduction band minimum. Our model is supported from current-voltage measurements of doped and undoped materials, which exhibit Schottky to Ohmic behavior with Cu doping, suggestive of a tuning of the lowest energy states near the Fermi level.This paper investigates how chemical dopants affect the electronic properties of CdSe quantum dots (QDs) and why a model that incorporates the concepts of orbital hybridization must be used to understand these properties. Extended X-ray absorption fine structure spectroscopy measurements show that copper dopants in CdSe QDs occur primarily through a statistical doping mechanism. Ultraviolet photoemission spectroscopy (UPS) experiments provide a detailed insight on the valence band (VB) structure of doped and undoped QDs. Using UPS measurements, we are able to observe photoemission from the Cu d-levels above VB maximum of the QDs which allows a complete picture of the energy band landscape of these materials. This information provides insights into many of the physical properties of doped QDs, including the highly debated near-infrared photoluminescence in Cu doped CdSe QDs. We show that all our results point to a common theme of orbital hybridization in Cu doped CdSe QDs which leads to optically and electronically active states below the conduction band minimum. Our model is supported from current-voltage measurements of doped and undoped materials, which exhibit Schottky to Ohmic behavior with Cu doping, suggestive of a tuning of the lowest energy states near the Fermi level. Electronic supplementary information (ESI) available: Thermogravimetric analysis and X-ray photoelectron spectroscopy of QD films. See DOI: 10.1039/C6NR00494F

Forest and wildlife habitat analysis using remote sensing and geographic information systems. M.S. Thesis, 26 May 1992 Abstract Only

NASA Technical Reports Server (NTRS)

Fiorella, Maria

1995-01-01

Forest and wildlife habitat analyses were conducted at the H.J. Andrews Experimental Forest in the Central Cascade Mountains of Oregon using remotely sensed data and a geographic information system (GIS). Landsat Thematic Mapper (TM) data were used to determine forest successional stages, and to analyze the structure of both old and young conifer forests. Two successional stage maps were developed. One was developed from six TM spectral bands alone, and the second was developed from six TM spectral bands and a relative sun incidence band. Including the sun incidence band in the classification improved the mapping accuracy in the two youngest successional stages, but did not improve overall accuracy or accuracy of the two oldest successional stages. Mean spectral values for old-growth and mature stands were compared in seven TM bands and seven band transformations. Differences between mature and old-growth successional stages were greatest for the band ratio of TM 4/5 (P = 0.00005) and the multiband transformation of wetness (P = 0.00003). The age of young conifer stands had the highest correlation to TM 4/5 values (r = 0.9559) of any of the TM band or band transformations used. TM 4/5 ratio values of poorly regenerated conifer stands were significantly different from well regenerated conifer stands after age 15 (P = 0.0000). TM 4/5 was named a 'Successional Stage Index' (SSI) because of its ability to distinguish forest successional stages. The forest successional stage map was used as input into a vertebrate richness model using GIS. The three variables of (1) successional stage, (2) elevation, and (3) site moisture were used in the GIS to predict the spatial occurrence of small mammal, amphibian, and reptile species based on primary and secondary habitat requirements. These occurrence or habitat maps were overlayed to tally the predicted number of vertebrate at any given point in the study area. Overall, sixty-three and sixty-seven percent of the model predictions for vertebrate occurrence matched the vertebrates that were trapped in the field in eight forested stands. Of the three model variables, site moisture appeared to have the greatest influence on the pattern of high vertebrate richness in all vertebrate classes.

Carbon and Nitrogen Abundance Variations Among Red Giant Branch Stars in M10

NASA Astrophysics Data System (ADS)

Gerber, Jeffrey M.; Friel, Eileen D.; Vesperini, Enrico

2016-06-01

We present analysis of the CN and CH molecular band strengths derived for red giants in M10 as part of a first pilot study in the WIYN Indiana Northern Globular Survey (WINGS). This survey plans to use a combination of low-resolution spectroscopy taken with Hydra and wide-field SDSS filter photometry taken with the newly upgraded ODI to study the multiple populations and dynamics of a sample of Milky Way globular clusters. Our sample comes from the first in a series of observation runs conducted in Aug. 2014 using Hydra on the WIYN 3.5m telescope. CN and CH bands are measured for ~100 red giant branch stars and used to characterize the distribution in band strength and to derive carbon and nitrogen abundances by comparing observed band strengths to synthetic spectra produced by the Synthetic Spectrum Generator (SSG), which makes use of MARCS model atmospheres. Band strengths and CN abundances are used to investigate the distribution of stars in nitrogen normal and enhanced populations and to compare these to other ways of characterizing multiple stellar populations with other light elements (such as Na and O).

Landsat 8 thermal infrared sensor geometric characterization and calibration

USGS Publications Warehouse

Storey, James C.; Choate, Michael J.; Moe, Donald

2014-01-01

The Landsat 8 spacecraft was launched on 11 February 2013 carrying two imaging payloads: the Operational Land Imager (OLI) and the Thermal Infrared Sensor (TIRS). The TIRS instrument employs a refractive telescope design that is opaque to visible wavelengths making prelaunch geometric characterization challenging. TIRS geometric calibration thus relied heavily on on-orbit measurements. Since the two Landsat 8 payloads are complementary and generate combined Level 1 data products, the TIRS geometric performance requirements emphasize the co-alignment of the OLI and TIRS instrument fields of view and the registration of the OLI reflective bands to the TIRS long-wave infrared emissive bands. The TIRS on-orbit calibration procedures include measuring the TIRS-to-OLI alignment, refining the alignment of the three TIRS sensor chips, and ensuring the alignment of the two TIRS spectral bands. The two key TIRS performance metrics are the OLI reflective to TIRS emissive band registration accuracy, and the registration accuracy between the TIRS thermal bands. The on-orbit calibration campaign conducted during the commissioning period provided an accurate TIRS geometric model that enabled TIRS Level 1 data to meet all geometric accuracy requirements. Seasonal variations in TIRS-to-OLI alignment have led to several small calibration parameter adjustments since commissioning.

Three-dimensional graphdiyne as a topological nodal-line semimetal

NASA Astrophysics Data System (ADS)

Nomura, Takafumi; Habe, Tetsuro; Sakamoto, Ryota; Koshino, Mikito

2018-05-01

We study the electronic band structure of three-dimensional ABC-stacked (rhombohedral) graphdiyne, which is a new planar carbon allotrope recently fabricated. Using first-principles calculation, we show that the system is a nodal-line semimetal, in which the conduction band and valence band cross at a closed ring in the momentum space. We derive the minimum tight-binding model and the low-energy effective Hamiltonian in a 4 ×4 matrix form. The nodal line is protected by a nontrivial winding number, and it ensures the existence of the topological surface state in a finite-thickness slab. The Fermi surface of the doped system exhibits a peculiar, self-intersecting hourglass structure, which is quite different from the torus or pipe shape in the previously proposed nodal semimetals. Despite its simple configuration, three-dimensional graphdiyne offers unique electronic properties distinct from any other carbon allotropes.

Band lineup of lattice mismatched InSe/GaSe quantum well structures prepared by van der Waals epitaxy: Absence of interfacial dipoles

NASA Astrophysics Data System (ADS)

Lang, O.; Klein, A.; Pettenkofer, C.; Jaegermann, W.; Chevy, A.

1996-10-01

Epitaxial growth of the strongly lattice mismatched (6.5%) layered chalcogenides InSe and GaSe on each other is obtained with the concept of van der Waals epitaxy as proven by low-energy electron diffraction and scanning tunnel microscope. InSe/GaSe/InSe and GaSe/InSe/GaSe quantum well structures were prepared by molecular beam epitaxy and their interface properties were characterized by soft x-ray photoelectron spectroscopy. Valence and conduction band offsets are determined to be 0.1 and 0.9 eV, respectively, and do not depend on deposition sequence (commutativity). As determined from the measured work functions the interface dipole is 0.05 eV; the band lineup between the two materials is correctly predicted by the Anderson model (electron affinity rule).

Nanowire Tunnel Field Effect Transistors: Prospects and Pitfalls

NASA Astrophysics Data System (ADS)

Sylvia, Somaia Sarwat

The tunnel field effect transistor (TFET) has the potential to operate at lower voltages and lower power than the field effect transistor (FET). The TFET can circumvent the fundamental thermal limit of the inverse subthreshold slope (S) by exploiting interband tunneling of non-equilibrium "cold" carriers. The conduction mechanism in the TFET is governed by band-to-band tunneling which limits the drive current. TFETs built with III-V materials like InAs and InSb can produce enough tunneling current because of their small direct bandgap. Our simulation results show that although they require highly degenerate source doping to support the high electric fields in the tunnel region, the devices achieve minimum inverse subthreshold slopes of 30 mV/dec. In subthreshold, these devices experience both regimes of voltage-controlled tunneling and cold-carrier injection. Numerical results based on a discretized 8-band k.p model are compared to analytical WKB theory. For both regular FETs and TFETs, direct channel tunneling dominates the leakage current when the physical gate length is reduced to 5 nm. Therefore, a survey of materials is performed to determine their ability to suppress the direct tunnel current through a 5 nm barrier. The tunneling effective mass gives the best indication of the relative size of the tunnel currents. Si gives the lowest overall tunnel current for both the conduction and valence band and, therefore, it is the optimum choice for suppressing tunnel current at the 5 nm scale. Our numerical simulation shows that the finite number, random placement, and discrete nature of the dopants in the source of an InAs nanowire (NW) TFET affect both the mean value and the variance of the drive current and the inverse subthreshold slope. The discrete doping model gives an average drive current and an inverse subthreshold slope that are less than those predicted from the homogeneous doping model. The doping density required to achieve a target drive current is higher in the discrete doping model compared to the homogeneous doping model. The relative variation in the ON current decreases as the average doping density and/or NW diameter increases. For the largest 8 nm NW studied, the coefficient of variation in the ON current is ˜15% at a doping density of 1.5 x 1020 cm--3. Results from full self-consistent non-equilibrium Green's function calculations and semi-classical calculations are compared.

Electronic transport with dielectric confinement in degenerate InN nanowires.

PubMed

Blömers, Ch; Lu, J G; Huang, L; Witte, C; Grützmacher, D; Lüth, H; Schäpers, Th

2012-06-13

In this Letter, we present the size effects on charge conduction in InN nanowires by comprehensive transport studies supported by theoretical analysis. A consistent model for highly degenerate narrow gap semiconductor nanowires is developed. In contrast to common knowledge of InN, there is no evidence of an enhanced surface conduction, however, high intrinsic doping exists. Furthermore, the room-temperature resistivity exhibits a strong increase when the lateral size becomes smaller than 80 nm and the temperature dependence changes from metallic to semiconductor-like. This effect is modeled by donor deactivation due to dielectric confinement, yielding a shift of the donor band to higher ionization energies as the size shrinks.

Scattering effects on the performance of carbon nanotube field effect transistor in a compact model

NASA Astrophysics Data System (ADS)

Hamieh, S. D.; Desgreys, P.; Naviner, J. F.

2010-01-01

Carbon nanotube field-effect transistors (CNTFET) are being extensively studied as possible successors to CMOS. Device simulators have been developed to estimate their performance in sub-10-nm and device structures have been fabricated. In this work, a new compact model of single-walled semiconducting CNTFET is proposed implementing the calculation of energy conduction sub-band minima and the treatment of scattering effects through energy shift in CNTFET. The developed model has been used to simulate I-V characteristics using VHDL-AMS simulator.

The Viking Orbiter and its Mariner inheritance

NASA Technical Reports Server (NTRS)

Wolfe, A. E.; Norris, H. W.

1975-01-01

The orbiter system of the Viking spacecraft performs the functions of transporting the lander into orbit around Mars, surveying the proposed landing sites, relaying lander data to earth, and conducting independent scientific observations of Mars. The orbiter system is a semiautomatic, solar-powered, triaxially stabilized platform capable of making trajectory corrections and communicating with earth on S-band. Its instruments for visual imaging, detecting water vapor, and thermal mapping are mounted on a separate two-degree-of-freedom scan platform. Radio science is conducted at three frequencies, using the main S-band system, a separate X-band derived from the S-band, and the UHF one-way link with the lander.

Electronic, Optical and Thermoelectric Properties of 2H-CuAlO2: A First Principles Study

NASA Astrophysics Data System (ADS)

Bhamu, K. C.; Khenata, R.; Khan, Saleem Ayaz; Singh, Mangej; Priolkar, K. R.

2016-01-01

The electronic and optical properties of 2H-CuAlO2, including energy bands, density of states (DOS), optical dielectric behaviour, refractive index, absorption coefficient and optical conductivity, have been investigated within the framework of a full-potential linearized augmented plane wave scheme using different potentials. The direct and indirect band gaps for CuAlO2, computed using the Becke-Johnson potential, are estimated at 3.53 eV and 2.48 eV, respectively, which are in better agreement with the experimentally reported band gaps than those previously computed. The origin of energy bands is elucidated in terms of DOS, while the behaviour of the imaginary part of the dielectric constant is explained in terms of electronic transitions from valence bands to conduction bands. The computed value of the refractive index is 2.25 (1.94) for light perpendicular (parallel) to the c axis, in concordance with the available values. The overall shape of the spectral distribution for absorption coefficient and optical conductivity is also in accord with the reported data. The investigated thermoelectric properties indicate that CuAlO2 is a p-type semiconductor showing high effectiveness at low temperatures.

Feasibility of quasi-random band model in evaluating atmospheric radiance

NASA Technical Reports Server (NTRS)

Tiwari, S. N.; Mirakhur, N.

1980-01-01

The use of the quasi-random band model in evaluating upwelling atmospheric radiation is investigated. The spectral transmittance and total band adsorptance are evaluated for selected molecular bands by using the line by line model, quasi-random band model, exponential sum fit method, and empirical correlations, and these are compared with the available experimental results. The atmospheric transmittance and upwelling radiance were calculated by using the line by line and quasi random band models and were compared with the results of an existing program called LOWTRAN. The results obtained by the exponential sum fit and empirical relations were not in good agreement with experimental results and their use cannot be justified for atmospheric studies. The line by line model was found to be the best model for atmospheric applications, but it is not practical because of high computational costs. The results of the quasi random band model compare well with the line by line and experimental results. The use of the quasi random band model is recommended for evaluation of the atmospheric radiation.

Opening Loads Analyses for Various Disk-Gap-Band Parachutes

NASA Technical Reports Server (NTRS)

Cruz, J. R.; Kandis, M.; Witkowski, A.

2003-01-01

Detailed opening loads data is presented for 18 tests of Disk-Gap-Band (DGB) parachutes of varying geometry with nominal diameters ranging from 43.2 to 50.1 ft. All of the test parachutes were deployed from a mortar. Six of these tests were conducted via drop testing with drop test vehicles weighing approximately 3,000 or 8,000 lb. Twelve tests were conducted in the National Full-Scale Aerodynamics Complex 80- by 120-foot wind tunnel at the NASA Ames Research Center. The purpose of these tests was to structurally qualify the parachute for the Mars Exploration Rover mission. A key requirement of all tests was that peak parachute load had to be reached at full inflation to more closely simulate the load profile encountered during operation at Mars. Peak loads measured during the tests were in the range from 12,889 to 30,027 lb. Of the two test methods, the wind tunnel tests yielded more accurate and repeatable data. Application of an apparent mass model to the opening loads data yielded insights into the nature of these loads. Although the apparent mass model could reconstruct specific tests with reasonable accuracy, the use of this model for predictive analyses was not accurate enough to set test conditions for either the drop or wind tunnel tests. A simpler empirical model was found to be suitable for predicting opening loads for the wind tunnel tests to a satisfactory level of accuracy. However, this simple empirical model is not applicable to the drop tests.

Topological Sachdev-Ye-Kitaev model

NASA Astrophysics Data System (ADS)

Zhang, Pengfei; Zhai, Hui

2018-05-01

In this Rapid Communication, we construct a large-N exactly solvable model to study the interplay between interaction and topology, by connecting the Sachdev-Ye-Kitaev (SYK) model with constant hopping. The hopping forms a band structure that can exhibit both topologically trivial and nontrivial phases. Starting from a topologically trivial insulator with zero Hall conductance, we show that the interaction can drive a phase transition to a topologically nontrivial insulator with quantized nonzero Hall conductance, and a single gapless Dirac fermion emerges when the interaction is fine tuned to the critical point. The finite temperature effect is also considered, and we show that the topological phase with a stronger interaction is less stable against temperature. Our model provides a concrete example to illustrate the interacting topological phases and phase transitions, and can shed light on similar problems in physical systems.

A Monte Carlo model of hot electron trapping and detrapping in SiO2

NASA Astrophysics Data System (ADS)

Kamocsai, R. L.; Porod, W.

1991-02-01

High-field stressing and oxide degradation of SiO2 are studied using a microscopic model of electron heating and charge trapping and detrapping. Hot electrons lead to a charge buildup in the oxide according to the dynamic trapping-detrapping model by Nissan-Cohen and co-workers [Y. Nissan-Cohen, J. Shappir, D. Frohman-Bentchkowsky, J. Appl. Phys. 58, 2252 (1985)]. Detrapping events are modeled as trap-to-band impact ionization processes initiated by high energy conduction electrons. The detailed electronic distribution function obtained from Monte Carlo transport simulations is utilized for the determination of the detrapping rates. We apply our microscopic model to the calculation of the flat-band voltage shift in silicon dioxide as a function of the electric field, and we show that our model is able to reproduce the experimental results. We also compare these results to the predictions of the empirical trapping-detrapping model which assumes a heuristic detrapping cross section. Our microscopic theory accounts for the nonlocal nature of impact ionization which leads to a dark space close to the injecting cathode, which is unaccounted for in the empirical model.

Electrical and optical properties of Si-doped Ga2O3

NASA Astrophysics Data System (ADS)

Li, Yin; Yang, Chuanghua; Wu, Liyuan; Zhang, Ru

2017-05-01

The charge densities, band structure, density of states, dielectric functions of Si-doped β-Ga2O3 have been investigated based on the density functional theory (DFT) within the hybrid functional HSE06. The heavy doping makes conduction band split out more bands and further influences the band structure. It decreases the band gap and changes from a direct gap to an indirect gap. After doping, the top of the valence bands is mainly composed by the O-2p states, Si-3p states and Ga-4p states and the bottom of the conduction bands is almost formed by the Si-3s, Si-3p and Ga-4s orbits. The anisotropic optical properties have been investigated by means of the complex dielectric function. After the heavy Si doping, the position of absorption band edges did not change much. The slope of the absorption curve descends and indicates that the absorption became more slow for Si-doped β-Ga2O3 than undoped one due to the indirect gap of Si-doped β-Ga2O3.

First principle study of electronic structures and optical properties of Ce-doped SiO2

NASA Astrophysics Data System (ADS)

Cong, Wei-Yan; Lu, Ying-Bo; Zhang, Peng; Guan, Cheng-Bo

2018-05-01

Electronic structures and optical properties of Silicon dioxide (SiO2) systems with and without cerium(Ce) dopant were calculated using the density functional theory. We find that after the Ce incorporation, a new localized impurity band appears between the valance band maximum (VBM) and the conduction band minimum (CBM) of SiO2 system, which is induced mainly by the Ce-4f orbitals. The localized impurity band constructs a bridge between the valence band and the conduction band, making the electronic transition much easier. The calculated optical properties show that in contrast from the pure SiO2 sample, absorption in the visible-light region is found in Ce-doped SiO2 system, which originates from the transition between the valence band and Ce-4f dominated impurity band, as well as the electronic transition from Ce-4f states to Ce-5d states. All calculated results indicate that Ce doping is an effective strategy to improve the optical performance of SiO2 sample, which is in agreement with the experimental results.

Holmium Doped Solid State Laser Resonantly Pumped and Q-Switched by Novel GaSb-Based Photonic Devices

DTIC Science & Technology

2011-08-31

increased overlap with p-cladding, presumably due to dominant role of inter valence band absorption [7]. Details of the conduction band structure of the...absorption to total loss. In the specific structures used here the n-cladding composition resulted into material with three valleys in conduction band to...materials. The beam properties of the high power 2 μm emitting GaSb -based diode lasers was improved by utilization of the waveguide structure with

Electronic structure of p-type transparent conducting oxide CuAlO2

NASA Astrophysics Data System (ADS)

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

2014-03-01

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

Higher thermoelectric performance of Zintl phases (Eu0.5Yb0.5)1-xCaxMg2Bi2 by band engineering and strain fluctuation.

PubMed

Shuai, Jing; Geng, Huiyuan; Lan, Yucheng; Zhu, Zhuan; Wang, Chao; Liu, Zihang; Bao, Jiming; Chu, Ching-Wu; Sui, Jiehe; Ren, Zhifeng

2016-07-19

Complex Zintl phases, especially antimony (Sb)-based YbZn0.4Cd1.6Sb2 with figure-of-merit (ZT) of ∼1.2 at 700 K, are good candidates as thermoelectric materials because of their intrinsic "electron-crystal, phonon-glass" nature. Here, we report the rarely studied p-type bismuth (Bi)-based Zintl phases (Ca,Yb,Eu)Mg2Bi2 with a record thermoelectric performance. Phase-pure EuMg2Bi2 is successfully prepared with suppressed bipolar effect to reach ZT ∼ 1. Further partial substitution of Eu by Ca and Yb enhanced ZT to ∼1.3 for Eu0.2Yb0.2Ca0.6Mg2Bi2 at 873 K. Density-functional theory (DFT) simulation indicates the alloying has no effect on the valence band, but does affect the conduction band. Such band engineering results in good p-type thermoelectric properties with high carrier mobility. Using transmission electron microscopy, various types of strains are observed and are believed to be due to atomic mass and size fluctuations. Point defects, strain, dislocations, and nanostructures jointly contribute to phonon scattering, confirmed by the semiclassical theoretical calculations based on a modified Debye-Callaway model of lattice thermal conductivity. This work indicates Bi-based (Ca,Yb,Eu)Mg2Bi2 is better than the Sb-based Zintl phases.

Electronic transport in Thue-Morse gapped graphene superlattice under applied bias

NASA Astrophysics Data System (ADS)

Wang, Mingjing; Zhang, Hongmei; Liu, De

2018-04-01

We investigate theoretically the electronic transport properties of Thue-Morse gapped graphene superlattice under an applied electric field. The results indicate that the combined effect of the band gap and the applied bias breaks the angular symmetry of the transmission coefficient. The zero-averaged wave-number gap can be greatly modulated by the band gap and the applied bias, but its position is robust against change of the band gap. Moreover, the conductance and the Fano factor are strongly dependent not only on the Fermi energy but also on the band gap and the applied bias. In the vicinity of the new Dirac point, the minimum value of the conductance obviously decreases and the Fano factor gradually forms a Poissonian value plateau with increasing of the band gap.

Multicomponent Electron-Hole Superfluidity and the BCS-BEC Crossover in Double Bilayer Graphene

NASA Astrophysics Data System (ADS)

Conti, S.; Perali, A.; Peeters, F. M.; Neilson, D.

2017-12-01

Superfluidity in coupled electron-hole sheets of bilayer graphene is predicted here to be multicomponent because of the conduction and valence bands. We investigate the superfluid crossover properties as functions of the tunable carrier densities and the tunable energy band gap Eg. For small band gaps there is a significant boost in the two superfluid gaps, but the interaction-driven excitations from the valence to the conduction band can weaken the superfluidity, even blocking the system from entering the Bose-Einstein condensate (BEC) regime at low densities. At a given larger density, a band gap Eg˜80 - 120 meV can carry the system into the strong-pairing multiband BCS-BEC crossover regime, the optimal range for realization of high-Tc superfluidity.

Electronic structure and thermoelectric properties of half-Heusler compounds with eight electron valence count—KScX (X = C and Ge)

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

Ciftci, Yasemin O.; Mahanti, Subhendra D.

Electronic band structure and structural properties of two representative half-Heusler (HH) compounds with 8 electron valence count (VC), KScC and KScGe, have been studied using first principles methods within density functional theory and generalized gradient approximation. These systems differ from the well studied class of HH compounds like ZrNiSn and ZrCoSb which have VC = 18 because of the absence of d electrons of the transition metal atoms Ni and Co. Electronic transport properties such as Seebeck coefficient (S), electrical conductivity (σ), electronic thermal conductivity (κ{sub e}) (the latter two scaled by electronic relaxation time), and the power factor (S{sup 2}σ) havemore » been calculated using semi-classical Boltzmann transport theory within constant relaxation time approximation. Both the compounds are direct band gap semiconductors with band extrema at the X point. Their electronic structures show a mixture of heavy and light bands near the valance band maximum and highly anisotropic conduction and valence bands near the band extrema, desirable features of good thermoelectric. Optimal p- or n-type doping concentrations have been estimated based on thermopower and maximum power factors. The optimum room temperature values of S are ∼1.5 times larger than that of the best room temperature thermoelectric Bi{sub 2}Te{sub 3}. We also discuss the impact of the band structure on deviations from Weidemann-Franz law as one tunes the chemical potential across the band gap.« less

Dissepiments, density bands and signatures of thermal stress in Porites skeletons

NASA Astrophysics Data System (ADS)

DeCarlo, Thomas M.; Cohen, Anne L.

2017-09-01

The skeletons of many reef-building corals are accreted with rhythmic structural patterns that serve as valuable sclerochronometers. Annual high- and low-density band couplets, visible in X-radiographs or computed tomography scans, are used to construct age models for paleoclimate reconstructions and to track variability in coral growth over time. In some corals, discrete, anomalously high-density bands, called "stress bands," preserve information about coral bleaching. However, the mechanisms underlying the formation of coral skeletal density banding remain unclear. Dissepiments—thin, horizontal sheets of calcium carbonate accreted by the coral to support the living polyp—play a key role in the upward growth of the colony. Here, we first conducted a vital staining experiment to test whether dissepiments were accreted with lunar periodicity in Porites coral skeleton, as previously hypothesized. Over 6, 15, and 21 months, dissepiments consistently formed in a 1:1 ratio to the number of full moons elapsed over each study period. We measured dissepiment spacing to reconstruct multiple years of monthly skeletal extension rates in two Porites colonies from Palmyra Atoll and in another from Palau that bleached in 1998 under anomalously high sea temperatures. Spacing between successive dissepiments exhibited strong seasonality in corals containing annual density bands, with narrow (wide) spacing associated with high (low) density, respectively. A high-density "stress band" accreted during the 1998 bleaching event was associated with anomalously low dissepiment spacing and missed dissepiments, implying that thermal stress disrupts skeletal extension. Further, uranium/calcium ratios increased within stress bands, indicating a reduction in the carbonate ion concentration of the coral's calcifying fluid under stress. Our study verifies the lunar periodicity of dissepiments, provides a mechanistic basis for the formation of annual density bands in Porites, and reveals the underlying cause of high-density stress bands.

Biventricular structural and functional responses to aortic constriction in a rabbit model of chronic right ventricular pressure overload.

PubMed

Apitz, Christian; Honjo, Osami; Humpl, Tilman; Li, Jing; Assad, Renato S; Cho, Mi Y; Hong, James; Friedberg, Mark K; Redington, Andrew N

2012-12-01

Chronic right ventricular (RV) pressure overload results in pathologic RV hypertrophy and diminished RV function. Although aortic constriction has been shown to improve systolic function in acute RV failure, its effect on RV responses to chronic pressure overload is unknown. Adjustable vascular banding devices were placed on the main pulmonary artery and descending aorta. In 5 animals (sham group), neither band was inflated. In 9 animals (PAB group), only the pulmonary arterial band was inflated, with adjustments on a weekly basis to generate systemic or suprasystemic RV pressure at 28 days. In 9 animals, both pulmonary arterial and aortic devices were inflated (PAB + AO group), the pulmonary arterial band as for the PAB group and the aortic band adjusted to increase proximal systolic blood pressure by approximately 20 mm Hg. Effects on the functional performance were assessed 5 weeks after surgery by conductance catheters, followed by histologic and molecular assessment. Contractile performance was significantly improved in the PAB + AO group versus the PAB group for both ventricles. Relative to sham-operated animals, both banding groups showed significant differences in myocardial histologic and molecular responses. Relative to the PAB group, the PAB + AO group showed significantly decreased RV cardiomyocyte diameter, decreased RV collagen content, and reduced RV expression of endothelin receptor type B, matrix metalloproteinase 9, and transforming growth factor β genes. Aortic constriction in an experimental model of chronic RV pressure overload not only resulted in improved biventricular systolic function but also improved myocardial remodeling. These data suggest that chronically increased left ventricular afterload leads to a more physiologically hypertrophic response in the pressure-overloaded RV. Copyright © 2012 The American Association for Thoracic Surgery. Published by Mosby, Inc. All rights reserved.

Multi-band, multi-epoch observations of the transiting warm Jupiter WASP-80b

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

Fukui, Akihiko; Kuroda, Daisuke; Kawashima, Yui

WASP-80b is a warm Jupiter transiting a bright late-K/early-M dwarf, providing a good opportunity to extend the atmospheric study of hot Jupiters toward the lower temperature regime. We report multi-band, multi-epoch transit observations of WASP-80b by using three ground-based telescopes covering from optical (g', R{sub c}, and I{sub c} bands) to near-infrared (NIR; J, H, and K{sub s} bands) wavelengths. We observe 5 primary transits, each in 3 or 4 different bands simultaneously, obtaining 17 independent transit light curves. Combining them with results from previous works, we find that the observed transmission spectrum is largely consistent with both a solarmore » abundance and thick cloud atmospheric models at a 1.7σ discrepancy level. On the other hand, we find a marginal spectral rise in the optical region compared to the NIR region at the 2.9σ level, which possibly indicates the existence of haze in the atmosphere. We simulate theoretical transmission spectra for a solar abundance but hazy atmosphere, finding that a model with equilibrium temperature of 600 K can explain the observed data well, having a discrepancy level of 1.0σ. We also search for transit timing variations, but find no timing excess larger than 50 s from a linear ephemeris. In addition, we conduct 43 day long photometric monitoring of the host star in the optical bands, finding no significant variation in the stellar brightness. Combined with the fact that no spot-crossing event is observed in the five transits, our results confirm previous findings that the host star appears quiet for spot activities, despite the indications of strong chromospheric activities.« less

Atomic-Monolayer MoS2 Band-to-Band Tunneling Field-Effect Transistor.

PubMed

Lan, Yann-Wen; Torres, Carlos M; Tsai, Shin-Hung; Zhu, Xiaodan; Shi, Yumeng; Li, Ming-Yang; Li, Lain-Jong; Yeh, Wen-Kuan; Wang, Kang L

2016-11-01

The experimental observation of band-to-band tunneling in novel tunneling field-effect transistors utilizing a monolayer of MoS 2 as the conducting channel is demonstrated. Our results indicate that the strong gate-coupling efficiency enabled by two-dimensional materials, such as monolayer MoS 2 , results in the direct manifestation of a band-to-band tunneling current and an ambipolar transport. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Retrieval of ice cloud properties using an optimal estimation algorithm and MODIS infrared observations: 1. Forward model, error analysis, and information content

NASA Astrophysics Data System (ADS)

Wang, Chenxi; Platnick, Steven; Zhang, Zhibo; Meyer, Kerry; Yang, Ping

2016-05-01

An optimal estimation (OE) retrieval method is developed to infer three ice cloud properties simultaneously: optical thickness (τ), effective radius (reff), and cloud top height (h). This method is based on a fast radiative transfer (RT) model and infrared (IR) observations from the MODerate resolution Imaging Spectroradiometer (MODIS). This study conducts thorough error and information content analyses to understand the error propagation and performance of retrievals from various MODIS band combinations under different cloud/atmosphere states. Specifically, the algorithm takes into account four error sources: measurement uncertainty, fast RT model uncertainty, uncertainties in ancillary data sets (e.g., atmospheric state), and assumed ice crystal habit uncertainties. It is found that the ancillary and ice crystal habit error sources dominate the MODIS IR retrieval uncertainty and cannot be ignored. The information content analysis shows that for a given ice cloud, the use of four MODIS IR observations is sufficient to retrieve the three cloud properties. However, the selection of MODIS IR bands that provide the most information and their order of importance varies with both the ice cloud properties and the ambient atmospheric and the surface states. As a result, this study suggests the inclusion of all MODIS IR bands in practice since little a priori information is available.

Retrieval of ice cloud properties using an optimal estimation algorithm and MODIS infrared observations. Part I: Forward model, error analysis, and information content.

PubMed

Wang, Chenxi; Platnick, Steven; Zhang, Zhibo; Meyer, Kerry; Yang, Ping

2016-05-27

An optimal estimation (OE) retrieval method is developed to infer three ice cloud properties simultaneously: optical thickness ( τ ), effective radius ( r eff ), and cloud-top height ( h ). This method is based on a fast radiative transfer (RT) model and infrared (IR) observations from the MODerate resolution Imaging Spectroradiometer (MODIS). This study conducts thorough error and information content analyses to understand the error propagation and performance of retrievals from various MODIS band combinations under different cloud/atmosphere states. Specifically, the algorithm takes into account four error sources: measurement uncertainty, fast RT model uncertainty, uncertainties in ancillary datasets (e.g., atmospheric state), and assumed ice crystal habit uncertainties. It is found that the ancillary and ice crystal habit error sources dominate the MODIS IR retrieval uncertainty and cannot be ignored. The information content analysis shows that, for a given ice cloud, the use of four MODIS IR observations is sufficient to retrieve the three cloud properties. However, the selection of MODIS IR bands that provide the most information and their order of importance varies with both the ice cloud properties and the ambient atmospheric and the surface states. As a result, this study suggests the inclusion of all MODIS IR bands in practice since little a priori information is available.

[Crop geometry identification based on inversion of semiempirical BRDF models].

PubMed

Zhao, Chun-jiang; Huang, Wen-jiang; Mu, Xu-han; Wang, Jin-diz; Wang, Ji-hua

2009-09-01

With the rapid development of remote sensing technology, the application of remote sensing has extended from single view angle to multi-view angles. It was studied for the qualitative and quantitative effect of average leaf angle (ALA) on crop canopy reflected spectrum. Effect of ALA on canopy reflected spectrum can not be ignored with inversion of leaf area index (LAI) and monitoring of crop growth condition by remote sensing technology. Investigations of the effect of erective and horizontal varieties were conducted by bidirectional canopy reflected spectrum and semiempirical bidirectional reflectance distribution function (BRDF) models. The sensitive analysis was done based on the weight for the volumetric kernel (fvol), the weight for the geometric kernel (fgeo), and the weight for constant corresponding to isotropic reflectance (fiso) at red band (680 nm) and near infrared band (800 nm). By combining the weights of the red and near-infrared bands, the semiempirical models can obtain structural information by retrieving biophysical parameters from the physical BRDF model and a number of bidirectional observations. So, it will allow an on-site and non-sampling mode of crop ALA identification, which is useful for using remote sensing for crop growth monitoring and for improving the LAI inversion accuracy, and it will help the farmers in guiding the fertilizer and irrigation management in the farmland without a priori knowledge.

Luminescence of BaBrI and SrBrI single crystals doped with Eu2+

NASA Astrophysics Data System (ADS)

Shalaev, A. A.; Shendrik, R.; Myasnikova, A. S.; Bogdanov, A.; Rusakov, A.; Vasilkovskyi, A.

2018-05-01

The crystal growth procedure and luminescence properties of pure and Eu2+-doped BaBrI and SrBrI crystals are reported. Emission and excitation spectra were recorded under ultraviolet and vacuum ultraviolet excitations. The energy of the first Eu2+ 4f-5d transition and SrBrI band gap are obtained. The electronic structure calculations were performed within GW approximation as implemented in the Vienna Ab Initio Simulation Package. The energy between lowest Eu2+ 5d state and the bottom of conduction band are found based on luminescence quenching parameters. The vacuum referred binding energy diagram of lanthanide levels was constructed using the chemical shift model.

Surface-modified TiO2 powders with phenol derivatives: A comparative DFT and experimental study

NASA Astrophysics Data System (ADS)

Sredojević, Dušan N.; Kovač, Tijana; Džunuzović, Enis; Ðorđević, Vesna; Grgur, Branimir N.; Nedeljković, Jovan M.

2017-10-01

The charge transfer complex formation between TiO2 powder and variety of phenol derivatives (phenol, 4-nitrophenol, 4-bromophenol, 4-tert-butylphenol, hydroquinone) was achieved. The red-shift of optical absorption was observed upon surface modification of TiO2 powders with phenol derivatives. The influence of substituent functional groups in para position on the optical band gap and conduction band edge of inorganic/organic hybrids was studied using reflection spectroscopy and cyclic voltammetry. The experimental findings were supported by density functional theory calculations. The measured reflection spectra of surface-modified TiO2 powders with phenol derivatives were compared with calculated electronic excitation spectra of corresponding model systems.

Radar cross section measurements of a scale model of the space shuttle orbiter vehicle

NASA Technical Reports Server (NTRS)

Yates, W. T.

1978-01-01

A series of microwave measurements was conducted to determine the radar cross section of the Space Shuttle Orbiter vehicle at a frequency and at aspect angles applicable to re-entry radar acquisition and tracking. The measurements were performed in a microwave anechoic chamber using a 1/15th scale model and a frequency applicable to C-band tracking radars. The data were digitally recorded and processed to yield statistical descriptions useful for prediction of orbiter re-entry detection and tracking ranges.

Ionic liquid gating reveals trap-filled limit mobility in low temperature amorphous zinc oxide

NASA Astrophysics Data System (ADS)

Bubel, S.; Meyer, S.; Kunze, F.; Chabinyc, M. L.

2013-10-01

In low-temperature solution processed amorphous zinc oxide (a-ZnO) thin films, we show the thin film transistor (TFT) characteristics for the trap-filled limit (TFL), when the quasi Fermi energy exceeds the conduction band edge and all tail-states are filled. In order to apply gate fields that are high enough to reach the TFL, we use an ionic liquid tape gate. Performing capacitance voltage measurements to determine the accumulated charge during TFT operation, we find the TFL at biases higher than predicted by the electronic structure of crystalline ZnO. We conclude that the density of states in the conduction band of a-ZnO is higher than in its crystalline state. Furthermore, we find no indication of percolative transport in the conduction band but trap assisted transport in the tail-states of the band.

Band alignment at the CdS/FeS2 interface based on the first-principles calculation

NASA Astrophysics Data System (ADS)

Ichimura, Masaya; Kawai, Shoichi

2015-03-01

FeS2 is potentially well-suited for the absorber layer of a thin-film solar cell. Since it usually has p-type conductivity, a pn heterojunction cell can be fabricated by combining it with an n-type material. In this work, the band alignment in the heterostructure based on FeS2 is investigated on the basis of the first-principles calculation. CdS, the most popular buffer-layer material for thin-film solar cells, is selected as the partner in the heterostructure. The results indicate that there is a large conduction band offset (0.65 eV) at the interface, which will hinder the flow of photogenerated electrons from FeS2 to CdS. Thus an n-type material with the conduction band minimum positioned lower than that of CdS will be preferable as the partner in the heterostructure.

Wavelength dependence of nanosecond infrared laser-induced breakdown in water: Evidence for multiphoton initiation via an intermediate state

NASA Astrophysics Data System (ADS)

Linz, Norbert; Freidank, Sebastian; Liang, Xiao-Xuan; Vogelmann, Hannes; Trickl, Thomas; Vogel, Alfred

2015-04-01

Investigation of the wavelength dependence (725-1025 nm) of the threshold for nanosecond optical breakdown in water revealed steps consistent with breakdown initiation by multiphoton ionization, with an initiation energy of about 6.6 eV. This value is considerably smaller than the autoionization threshold of about 9.5 eV, which can be regarded as band gap relevant for avalanche ionization. Breakdown initiation is likely to occur via excitation of a valence band electron into a solvated state, followed by rapid excitation into the conduction band. Theoretical analysis based on these assumptions suggests that the seed electron density required for initiating avalanche ionization amounts to 2.5 ×1015c m-3 at 725 nm and drops to 1.1 ×1012c m-3 at 1025 nm. These results demand changes of future breakdown modeling for water, including the use of a larger band gap than previously employed, the introduction of an intermediate energy level for initiation, and consideration of the wavelength dependence of seed electron density.

Temperature-driven band inversion in Pb 0.77 Sn 0.23 Se : Optical and Hall effect studies

DOE PAGES

Anand, Naween; Buvaev, Sanal; Hebard, A. F.; ...

2014-12-23

Optical and Hall-effect measurements have been performed on single crystals of Pb₀.₇₇Sn₀.₂₃Se, a IV-VI mixed chalcogenide. The temperature dependent (10–300 K) reflectance was measured over 40–7000 cm⁻¹ (5–870 meV) with an extension to 15,500 cm⁻¹ (1.92 eV) at room temperature. The reflectance was fit to the Drude-Lorentz model using a single Drude component and several Lorentz oscillators. The optical properties at the measured temperatures were estimated via Kramers-Kronig analysis as well as by the Drude-Lorentz fit. The carriers were p-type with the carrier density determined by Hall measurements. A signature of valence intraband transition is found in the low-energy opticalmore » spectra. It is found that the valence-conduction band transition energy as well as the free carrier effective mass reach minimum values at 100 K, suggesting temperature-driven band inversion in the material. Thus, density function theory calculation for the electronic band structure also make similar predictions.« less

Design of Multilayer Dual-Band BPF and Diplexer with Zeros Implantation Using Suspended Stripline

NASA Astrophysics Data System (ADS)

Ho, Min-Hua; Hsu, Wei-Hong

In this paper, a dual-band bandpass filter (BPF) of multilayer suspended stripline (SSL) structure and an SSL diplexer composed of a low-pass filter (LPF) and a high-pass filter (HPF) are proposed. Bandstop structure creating transmission zeros is adopted in the BPF and diplexer, enhancing the signal selectivity of the former and increasing the isolation between the diverting ports of the latter. The dual-band BPF possesses two distinct bandpass structures and a bandstop circuit, all laid on different metallic layers. The metallic layers together with the supporting substrates are vertically stacked up to save the circuit dimension. The LPF and HPF used in the diplexer structure are designed by a quasi-lumped approach, which the LC lumped-elements circuit models are developed to analyze filters' characteristics and to emulate their frequency responses. Half-wavelength resonating slots are employed in the diplexer's structure to increase the isolation between its two signal diverting ports. Experiments are conducted to verify the multilayer dual-band BPF and the diplexer design. Agreements are observed between the simulation and the measurement.

Effective mass and Fermi surface complexity factor from ab initio band structure calculations

NASA Astrophysics Data System (ADS)

Gibbs, Zachary M.; Ricci, Francesco; Li, Guodong; Zhu, Hong; Persson, Kristin; Ceder, Gerbrand; Hautier, Geoffroy; Jain, Anubhav; Snyder, G. Jeffrey

2017-02-01

The effective mass is a convenient descriptor of the electronic band structure used to characterize the density of states and electron transport based on a free electron model. While effective mass is an excellent first-order descriptor in real systems, the exact value can have several definitions, each of which describe a different aspect of electron transport. Here we use Boltzmann transport calculations applied to ab initio band structures to extract a density-of-states effective mass from the Seebeck Coefficient and an inertial mass from the electrical conductivity to characterize the band structure irrespective of the exact scattering mechanism. We identify a Fermi Surface Complexity Factor: Nv*K* from the ratio of these two masses, which in simple cases depends on the number of Fermi surface pockets (Nv* ) and their anisotropy K*, both of which are beneficial to high thermoelectric performance as exemplified by the high values found in PbTe. The Fermi Surface Complexity factor can be used in high-throughput search of promising thermoelectric materials.

Self consistent solution of the tJ model in the overdoped regime

NASA Astrophysics Data System (ADS)

Shastry, B. Sriram; Hansen, Daniel

2013-03-01

Detailed results from a recent microscopic theory of extremely correlated Fermi liquids, applied to the t-J model in two dimensions, are presented. The theory is to second order in a parameter λ, and is valid in the overdoped regime of the tJ model. The solution reported here is from Ref, where relevant equations given in Ref are self consistently solved for the square lattice. Thermodynamic variables and the resistivity are displayed at various densities and T for two sets of band parameters. The momentum distribution function and the renormalized electronic dispersion, its width and asymmetry are reported along principal directions of the zone. The optical conductivity is calculated. The electronic spectral function A (k , ω) probed in ARPES, is detailed with different elastic scattering parameters to account for the distinction between LASER and synchrotron ARPES. A high (binding) energy waterfall feature, sensitively dependent on the band hopping parameter t' is noted. This work was supported by DOE under Grant No. FG02-06ER46319.

Band alignment and p -type doping of ZnSnN2

NASA Astrophysics Data System (ADS)

Wang, Tianshi; Ni, Chaoying; Janotti, Anderson

2017-05-01

Composed of earth-abundant elements, ZnSnN2 is a promising semiconductor for photovoltaic and photoelectrochemical applications. However, basic properties such as the precise value of the band gap and the band alignment to other semiconductors are still unresolved. For instance, reported values for the band gap vary from 1.4 to 2.0 eV. In addition, doping in ZnSnN2 remains largely unexplored. Using density functional theory with the Heyd-Scuseria-Ernzerhof hybrid functional, we investigate the electronic structure of ZnSnN2, its band alignment to GaN and ZnO, and the possibility of p -type doping. We find that the position of the valence-band maximum of ZnSnN2 is 0.39 eV higher than that in GaN, yet the conduction-band minimum is close to that in ZnO, which suggests that achieving p -type conductivity is likely as in GaN, yet it may be difficult to control unintentional n -type conductivity as in ZnO. Among possible p -type dopants, we explore Li, Na, and K substituting on the Zn site. We show that while LiZn is a shallow acceptor, NaZn and KZn are deep acceptors, which we trace back to large local relaxations around the Na and K impurities due to the atomic size mismatches.

A probabilistic union model with automatic order selection for noisy speech recognition.

PubMed

Jancovic, P; Ming, J

2001-09-01

A critical issue in exploiting the potential of the sub-band-based approach to robust speech recognition is the method of combining the sub-band observations, for selecting the bands unaffected by noise. A new method for this purpose, i.e., the probabilistic union model, was recently introduced. This model has been shown to be capable of dealing with band-limited corruption, requiring no knowledge about the band position and statistical distribution of the noise. A parameter within the model, which we call its order, gives the best results when it equals the number of noisy bands. Since this information may not be available in practice, in this paper we introduce an automatic algorithm for selecting the order, based on the state duration pattern generated by the hidden Markov model (HMM). The algorithm has been tested on the TIDIGITS database corrupted by various types of additive band-limited noise with unknown noisy bands. The results have shown that the union model equipped with the new algorithm can achieve a recognition performance similar to that achieved when the number of noisy bands is known. The results show a very significant improvement over the traditional full-band model, without requiring prior information on either the position or the number of noisy bands. The principle of the algorithm for selecting the order based on state duration may also be applied to other sub-band combination methods.

Band alignment at β-(AlxGa1-x)2O3/β-Ga2O3 (100) interface fabricated by pulsed-laser deposition

NASA Astrophysics Data System (ADS)

Wakabayashi, Ryo; Hattori, Mai; Yoshimatsu, Kohei; Horiba, Koji; Kumigashira, Hiroshi; Ohtomo, Akira

2018-06-01

High-quality β-(AlxGa1-x)2O3 (x = 0-0.37) films were epitaxially grown on β-Ga2O3 (100) substrates by oxygen-radical-assisted pulsed-laser deposition with repeating alternate ablation of single crystals of β-Ga2O3 and α-Al2O3. The bandgap was tuned from 4.55 ± 0.01 eV (x = 0) to 5.20 ± 0.02 eV (x = 0.37), where bowing behavior was observed. The band alignment at the β-(AlxGa1-x)2O3/β-Ga2O3 interfaces was found to be type-I with conduction- and valence-band offsets of 0.52 ± 0.08 eV (0.37 ± 0.08 eV) and 0.13 ± 0.07 eV (0.02 ± 0.07 eV) for x = 0.37 (0.27), respectively. The large conduction-band offsets are ascribed to the dominant contribution of the cation-site substitution to the conduction band.

Electronic structures of filled tetrahedral semiconductors LiMgN and LiZnN: conduction band distortion

NASA Astrophysics Data System (ADS)

Yu, L. H.; Yao, K. L.; Liu, Z. L.

2004-12-01

The band structures of the filled tetrahedral semiconductors LiMgN and LiZnN, viewed as the zinc-blende (MgN) - and (ZnN) - lattices partially filled with He-like Li + ion interstitials, were studied using the full-potential linearized augmented plane wave method (FP-LAPW) within density functional theory. The conduction band distortions of LiMgN and LiZnN, compared to their “parent” zinc-blende analog AlN and GaN, are discussed. It was found that the insertion of Li + ions at the interstitial sites near the cation or anion pushes the conduction band minimum of the X point in the Brillouin zone upward, relative to that of the Γ point, for both (MgN) - and (ZnN) - lattices (the valence band maximum is at Γ for AlN, GaN, LiMgN, and LiZnN), which provides a method to convert a zinc-blende indirect gap semiconductor into a direct gap material, but the conduction band distortion of the β phase (Li + near the cation) is quite stronger than that of the α phase (Li + near the anion). The total energy calculations show the α phase to be more stable than the β phase for both LiMgN and LiZnN. The Li-N and Mg-N bonds exhibit a strong ionic character, whereas the Zn-N bond has a strong covalent character in LiMgN and LiZnN.

Laboratory investigation on the role of tubular shaped micro resonators phononic crystal insertion on the absorption coefficient of profiled sound absorber

NASA Astrophysics Data System (ADS)

Yahya, I.; Kusuma, J. I.; Harjana; Kristiani, R.; Hanina, R.

2016-02-01

This paper emphasizes the influence of tubular shaped microresonators phononic crystal insertion on the sound absorption coefficient of profiled sound absorber. A simple cubic and two different bodies centered cubic phononic crystal lattice model were analyzed in a laboratory test procedure. The experiment was conducted by using transfer function based two microphone impedance tube method refer to ASTM E-1050-98. The results show that sound absorption coefficient increase significantly at the mid and high-frequency band (600 - 700 Hz) and (1 - 1.6 kHz) when tubular shaped microresonator phononic crystal inserted into the tested sound absorber element. The increment phenomena related to multi-resonance effect that occurs when sound waves propagate through the phononic crystal lattice model that produce multiple reflections and scattering in mid and high-frequency band which increases the sound absorption coefficient accordingly

Chern Insulator Phase in a Lattice of an Organic Dirac Semimetal with Intracellular Potential and Magnetic Modulations

NASA Astrophysics Data System (ADS)

Osada, Toshihito

2017-12-01

We demonstrate that a Chern insulator can be realized on an actual two-dimensional lattice of an organic Dirac semimetal, α-(BEDT-TTF)2I3, by introducing potential and magnetic modulations in a unit cell. It is a topologically-nontrivial insulator that exhibits the quantum Hall effect even at zero magnetic field. We assume a pattern of site potential and staggered plaquette magnetic flux on the lattice to imitate the observed stripe charge ordering pattern. When magnetic modulation is sufficiently large, the system becomes a Chern insulator, where the Berry curvatures around two gapped Dirac cones have the same sign on each band, and one chiral edge state connects the conduction and valence bands at each crystal edge. The present model is an organic version of Haldane's model, which discusses the Chern insulator on a honeycomb lattice with second nearest neighbor couplings.

Electrical transport engineering of semiconductor superlattice structures

NASA Astrophysics Data System (ADS)

Shokri, Aliasghar

2014-04-01

We investigate the influence of doping concentration on band structures of electrons and electrical transmission in a typical aperiodic semiconductor superlattice consisting of quantum well and barrier layers, theoretically. For this purpose, we assume that each unit cell of the superlattice contains alternately two types of material GaAs (as a well) and GaAlAs (as a barrier) with six sublayers of two materials. Our calculations are based on the generalized Kronig-Penny (KP) model and the transfer matrix method within the framework of the parabolic conductance band effective mass approximation in the coherent regime. This model reduces the numerical calculation time and enables us to use the transfer matrix method to investigate transport in the superlattices. We show that by varying the doping concentration and geometrical parameters, one can easily block the transmission of the electrons. The numerical results may be useful in designing of nanoenergy filter devices.

Modeling electron emission and surface effects from diamond cathodes

DOE PAGES

Dimitrov, D. A.; Smithe, D.; Cary, J. R.; ...

2015-02-05

We developed modeling capabilities, within the Vorpal particle-in-cell code, for three-dimensional (3D) simulations of surface effects and electron emission from semiconductor photocathodes. They include calculation of emission probabilities using general, piece-wise continuous, space-time dependent surface potentials, effective mass and band bending field effects. We applied these models, in combination with previously implemented capabilities for modeling charge generation and transport in diamond, to investigate the emission dependence on applied electric field in the range from approximately 2 MV/m to 17 MV/m along the [100] direction. The simulation results were compared to experimental data. For the considered parameter regime, conservation of transversemore » electron momentum (in the plane of the emission surface) allows direct emission from only two (parallel to [100]) of the six equivalent lowest conduction band valleys. When the electron affinity χ is the only parameter varied in the simulations, the value χ = 0.31 eV leads to overall qualitative agreement with the probability of emission deduced from experiments. Including band bending in the simulations improves the agreement with the experimental data, particularly at low applied fields, but not significantly. In this study, using surface potentials with different profiles further allows us to investigate the emission as a function of potential barrier height, width, and vacuum level position. However, adding surface patches with different levels of hydrogenation, modeled with position-dependent electron affinity, leads to the closest agreement with the experimental data.« less

A detailed analysis of the energy levels configuration existing in the band gap of supersaturated silicon with titanium for photovoltaic applications

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 known, the Meyer-Neldel rule typically appears in processes involving multiple excitations, like carrier capture and emission in deep levels, and it is generally observed in disordered systems. The obtained Meyer-Neldel energy value, 15.19 meV, is very close to the value obtained in multicrystalline silicon samples contaminated with iron (13.65 meV), meaning that this energy value could be associated to the phonons energy in this kind of substrates.« less

Transparent, conducting films based on metal/dielectric photonic band gaps

NASA Astrophysics Data System (ADS)

Bloemer, Mark J.; Scalora, Michael; D'Aguanno, G.; Bowden, Charles M.; Baglio, Salvatore; Sibilia, Concita; Centini, Marco; Bertolotti, Mario

1999-07-01

A transparent conductor has been developed based on 1D metal/dielectric photonic band gap structures. Laminated metal/dielectric filters containing 100 nm of silver have been fabricated with > 50% transmittance. Applications for transparent, conducting films include antennas embedded in windshields, electrodes on flat panel displays, electromagnetic shielding, and solar window panes.

Lightning protection design external tank /Space Shuttle/

NASA Technical Reports Server (NTRS)

Anderson, A.; Mumme, E.

1979-01-01

The possibility of lightning striking the Space Shuttle during liftoff is considered and the lightning protection system designed by the Martin Marietta Corporation for the external tank (ET) portion of the Shuttle is discussed. The protection system is based on diverting and/or directing a lightning strike to an area of the spacecraft which can sustain the strike. The ET lightning protection theory and some test analyses of the system's design are reviewed including studies of conductivity and thermal/stress properties in materials, belly band feasibility, and burn-through plug grounding and puncture voltage. The ET lightning protection system design is shown to be comprised of the following: (1) a lightning rod on the forward most point of the ET, (2) a continually grounded, one inch wide conductive strip applied circumferentially at station 371 (belly band), (3) a three inch wide conductive belly band applied over the TPS (i.e. the insulating surface of the ET) and grounded to a structure with eight conductive plugs at station 536, and (4) a two inch thick TPS between the belly bands which are located over the weld lands.

Diverse magnetic quantization in bilayer silicene

NASA Astrophysics Data System (ADS)

Do, Thi-Nga; Shih, Po-Hsin; Gumbs, Godfrey; Huang, Danhong; Chiu, Chih-Wei; Lin, Ming-Fa

2018-03-01

The generalized tight-binding model is developed to investigate the rich and unique electronic properties of A B -bt (bottom-top) bilayer silicene under uniform perpendicular electric and magnetic fields. The first pair of conduction and valence bands, with an observable energy gap, displays unusual energy dispersions. Each group of conduction/valence Landau levels (LLs) is further classified into four subgroups, i.e., the sublattice- and spin-dominated LL subgroups. The magnetic-field-dependent LL energy spectra exhibit irregular behavior corresponding to the critical points of the band structure. Moreover, the electric field can induce many LL anticrossings. The main features of the LLs are uncovered with many van Hove singularities in the density-of-states and nonuniform delta-function-like peaks in the magnetoabsorption spectra. The feature-rich magnetic quantization directly reflects the geometric symmetries, intralayer and interlayer atomic interactions, spin-orbital couplings, and field effects. The results of this work can be applied to novel designs of Si-based nanoelectronics and nanodevices with enhanced mobilities.

Contactless electroreflectance study of strained Zn0.79Cd0.21Se/ZnSe double quantum wells

NASA Astrophysics Data System (ADS)

Tu, R. C.; Su, Y. K.; Lin, D. Y.; Li, C. F.; Huang, Y. S.; Lan, W. H.; Tu, S. L.; Chang, S. J.; Chou, S. C.; Chou, W. C.

1998-01-01

We have studied various excitonic transitions of strained Zn0.79Cd0.21Se/ZnSe double quantum wells, grown by molecular beam epitaxy on (100) GaAs substrates, using contactless electroreflectance (CER) at 15 and 300 K. A number of intersub-band transitions in the CER spectra from the sample have been observed. An analysis of the CER spectra has led to the identification of various excitonic transitions, mnH(L), between the mth conduction band state and the nth heavy (light)-hole band state. The conduction-band offset Qc is used as an adjustable parameter to study the band offset in the strained Zn0.79Cd0.21Se/ZnSe system. The value of Qc is determined to be 0.67±0.03.

Experimental study of IR-signature of water ices between 1 and 2.5 µm : a thermal probe for icy moons

NASA Astrophysics Data System (ADS)

Taffin, C.; Grasset, O.; Le Menn, E.; Le Mouélic, S.

2009-12-01

Near IR signatures of water ices are known to depend on temperature and grain size, a property that could be used to constrain the surface characteristics of icy moons1,2,3. Models indicate that the 1.65 µm absorption band depends strongly on temperature2,4,5 and on grain size. Other bands (1.03, 1.27, 1.50 and 2 µm) show a strong dependence with grain size (e.g. (6) for the 1.03 µm band). But the respective influence of temperature and grain size is still not fully understood. In this work, we focus on the 1.50 and 1.55 µm absorption bands. Characteristics of near-IR spectra of pure ice Ih grains have been experimentally investigated using temperature and pressure ranges relevant for icy moons. Nineteen experiments have been conducted both at microscopic (individual grains smaller than 100 mm) and macroscopic (grains ranging from 200 to 800 µm) scales, using a FTIR spectrometer. Position, area and depth of the four main absorption bands in the near-IR domain (1.50, 1.55, 1.65 and 2 µm) have been studied . It will be shown that the positions of the 1.50 µm and the 1.55 µm bands are very good indicators of grain size and of temperature, respectively (Fig.1). The scaling laws established from experimental data can be used to characterize the surface properties of icy moons. Preliminary tests are conducted on extensively studied regions to validate the approach. An application to the Tiger Stripes on Enceladus will be presented. The estimated temperatures are at first order consistent with those obtained by CIRS7, but they still appear slightly higher in average (between 10 and 20 K). Grain size are also bigger than in a previous model8 but the same tendency is observed, i.e., the grain size is larger on the Tiger Stripes than in the surroundings. Ref. : 1-Fink and Larson, Icarus, 1975. 2-Leto et al. Mem. S.A.It. Suppl. 2005. 3-Grundy, Icarus, 1999. 4-Grundy and Schmitt, JGR. 1998. 5-Mastrapa et al. Icarus, 2008. 6-Nolin and Dozier Rem. Sens. Environ. 2000. 7-Abramov and Spencer, Icarus 2009. 8-Jaumann et al. Icarus, 2007. Figure 1: a) Position of the 1.55 µm band versus temperature for ice (black) and frost (red). For each temperature a dispersion of 10 - 20 cm-1 is observed due to the grain size variations from 200 to 800 µm. b) Position of the 1.50 µm band relative to the grain size at microscopic (black) and macroscopic (red) scales. The grain size of macroscopic samples is estimated using the Nolin and Dozier’s method (6).

Modeling Ballistic Current Flow in Carbon Nanotube Wires

NASA Technical Reports Server (NTRS)

Anantram, M. P.; Biegel, Bryan (Technical Monitor)

2001-01-01

Experiments have shown carbon nanotubes (CNT) to be almost perfect conductors at small applied biases. The features of the CNT band structure, large velocity of the crossing subbands and the small number of modes that an electron close to the band center / Fermi energy can scatter into, are the reasons for the near perfect small bias conductance. We show that the CNT band structure does not help at large applied biases - electrons injected into the non crossing subbands can either be Bragg reflected or undergo Zener-type tunneling. This limits the current carrying capacity of CNT. We point out that the current carrying capacity of semiconductor quantum wires in the ballistic limit is different, owing to its band structure. The second aspect addressed is the relationship of nanotube chirality in determining the physics of metal-nanotube coupling. We show that a metallic-zigzag nanotube couples better than an armchair nanotube to a metal contact. This arises because in the case of armchair nanotubes, while the pi band couples well, the pi* band does not couple well to the metal. In the case of zigzag nanotube both crossing modes couple reasonably well to the metal. Many factors such as the role of curvature, strain and defects will play a role in determining the suitability of nanotubes as nanowires. From the limited view point of metal-nanotube coupling, we feel that metallic-zigzag nanotubes are preferable to armchair nanotubes.

A simplified approach to the band gap correction of defect formation energies: Al, Ga, and In-doped ZnO

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.

Power flow prediction in vibrating systems via model reduction

NASA Astrophysics Data System (ADS)

Li, Xianhui

This dissertation focuses on power flow prediction in vibrating systems. Reduced order models (ROMs) are built based on rational Krylov model reduction which preserve power flow information in the original systems over a specified frequency band. Stiffness and mass matrices of the ROMs are obtained by projecting the original system matrices onto the subspaces spanned by forced responses. A matrix-free algorithm is designed to construct ROMs directly from the power quantities at selected interpolation frequencies. Strategies for parallel implementation of the algorithm via message passing interface are proposed. The quality of ROMs is iteratively refined according to the error estimate based on residual norms. Band capacity is proposed to provide a priori estimate of the sizes of good quality ROMs. Frequency averaging is recast as ensemble averaging and Cauchy distribution is used to simplify the computation. Besides model reduction for deterministic systems, details of constructing ROMs for parametric and nonparametric random systems are also presented. Case studies have been conducted on testbeds from Harwell-Boeing collections. Input and coupling power flow are computed for the original systems and the ROMs. Good agreement is observed in all cases.

Modelling Internal Heterogeneities in Debris-Covered Glaciers: the Potential to Link Morphology and Climate

NASA Astrophysics Data System (ADS)

Stuurman, C. M.; Holt, J.; Levy, J.

2016-12-01

On Earth and Mars, debris-covered glaciers (DCGs) often exhibit arcuate ridges transverse to the flow direction. Additionally, there exists some evidence linking internal structure (which is controlled in part by climate) in DCGs with surface microtopography. A better understanding of the relationship between englacial debris bands, compressional stresses, and debris-covered glacier microtopography will augment understanding of formational environments and mechanisms for terrestrial and martian DCGs. In order to better understand relationships between DCG surface morphology and internal debris bands, we combine field observations with finite-element modeling techniques to relate internal structure of DCGs to their surface morphologies. A geophysical survey including time-domain electromagnetic and ground-penetrating radar techniques of the Galena Creek Rock Glacier, WY was conducted over two field seasons in 2015/2016. Geomorphic analysis by surface observation and photogrammetry, including examination of a cirque-based thermokarst, was used to guide and complement geophysical sounding methods. Very clean ice below a 1 m thick layer of debris was directly observed on the walls of a 40 m diameter thermokarst pond near the accumulation zone. An englacial debris band 0.7 m thick dipping 30o intersected the wall of the pond. Transverse ridges occur at varying ridge-to-ridge wavelengths at different locations on the glacier. The GPR data supports the idea that surface ridges correlate with the intersection of debris layers and the surface. Modelling evidence is consistent with the observation of ridges at debris-layer/surface intersections, with compressional stresses buckling ice up-stream of the debris band.

Trends on band alignments: Validity of Anderson's rule in SnS2- and SnSe2-based van der Waals heterostructures

NASA Astrophysics Data System (ADS)

Koda, Daniel S.; Bechstedt, Friedhelm; Marques, Marcelo; Teles, Lara K.

2018-04-01

Van der Waals (vdW) heterostructures are promising candidates for building blocks in novel electronic and optoelectronic devices with tailored properties, since their electronic action is dominated by the band alignments upon their contact. In this work, we analyze 10 vdW heterobilayers based on tin dichalcogenides by first-principles calculations. Structural studies show that all systems are stable, and that commensurability leads to smaller interlayer distances. Using hybrid functional calculations, we derive electronic properties and band alignments for all the heterosystems and isolated two-dimensional (2D) crystals. Natural band offsets are derived from calculated electron affinities and ionization energies of 11 freestanding 2D crystals. They are compared with band alignments in true heterojunctions, using a quantum mechanical criterion, and available experimental data. For the hBN/SnSe 2 system, we show that hBN suffers an increase in band gap, while leaving almost unchanged the electronic properties of SnSe2. Similarly, MX2 (M = Mo, W; X = S, Se) over SnX2 preserve the natural discontinuities from each side of the heterobilayer. Significant charge transfer occurs in junctions with graphene, which becomes p-doped and forms an Ohmic contact with SnX2. Zirconium and hafnium dichalcogenides display stronger interlayer interactions, leading to larger shifts in band alignments with tin dichalcogenides. Significant orbital overlap is found, which creates zero conduction band offset systems. The validity of the Anderson electron affinity rule is discussed. Failures of this model are traced back to interlayer interaction, band hybridization, and quantum dipoles. The systematic work sheds light on interfacial engineering for future vdW electronic and optoelectronic devices.

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

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

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

1997-04-01

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

Holmium Doped Solid State Laser Resonantly Pumped and Q-Switched by Novel GaSb-Based Photonic Devices

DTIC Science & Technology

2011-08-31

dominant role of inter valence band absorption [7]. Details of the conduction band structure of the particular 0 20 40 60 80 100 0 10 20 30 CW 30s...here the n-cladding composition resulted into material with three valleys in conduction band to have almost the same energy minimum so no inter...emitting GaSb -based diode lasers was improved by utilization of the waveguide structure with asymmetric claddings. The AlGaAsSb p-cladding contained

DFT study of anisotropy effects on the electronic properties of diamond nanowires with nitrogen-vacancy center.

PubMed

Solano, Jesús Ramírez; Baños, Alejandro Trejo; Durán, Álvaro Miranda; Quiroz, Eliel Carvajal; Irisson, Miguel Cruz

2017-09-26

In the development of quantum computing and communications, improvements in materials capable of single photon emission are of great importance. Advances in single photon emission have been achieved experimentally by introducing nitrogen-vacancy (N-V) centers on diamond nanostructures. However, theoretical modeling of the anisotropic effects on the electronic properties of these materials is almost nonexistent. In this study, the electronic band structure and density of states of diamond nanowires with N-V defects were analyzed through first principles approach using the density functional theory and the supercell scheme. The nanowires were modeled on two growth directions [001] and [111]. All surface dangling bonds were passivated with hydrogen (H) atoms. The results show that the N-V introduces multiple trap states within the energy band gap of the diamond nanowire. The energy difference between these states is influenced by the growth direction of the nanowires, which could contribute to the emission of photons with different wavelengths. The presence of these trap states could reduce the recombination rate between the conduction and the valence band, thus favoring the single photon emission. Graphical abstract Diamond nanowires with nitrogen-vacancy centerᅟ.

Optical gain coefficients of silicon: a theoretical study

NASA Astrophysics Data System (ADS)

Tsai, Chin-Yi

2018-05-01

A theoretical model is presented and an explicit formula is derived for calculating the optical gain coefficients of indirect band-gap semiconductors. This model is based on the second-order time-dependent perturbation theory of quantum mechanics by incorporating all the eight processes of photon/phonon emission and absorption between the band edges of the conduction and valence bands. Numerical calculation results are given for Si. The calculated absorption coefficients agree well with the existing fitting formula of experiment data with two modes of phonons: optical phonons with energy of 57.73 meV and acoustic phonons with energy of 18.27 meV near (but not exactly at) the zone edge of the X-point in the dispersion relation of phonons. These closely match with existing data of 57.5 meV transverse optical (TO) phonons at the X4-point and 18.6 meV transverse acoustic (TA) phonons at the X3-point of the zone edge. The calculated results show that the material optical gain of Si will overcome free-carrier absorption if the energy separation of quasi-Fermi levels between electrons and holes exceeds 1.15 eV.

Effect of species structure and dielectric constant on C-band forest backscatter

NASA Technical Reports Server (NTRS)

Lang, R. H.; Landry, R.; Kilic, O.; Chauhan, N.; Khadr, N.; Leckie, D.

1993-01-01

A joint experiment between Canadian and USA research teams was conducted early in Oct. 1992 to determine the effect of species structure and dielectric variations on forest backscatter. Two stands, one red pine and one jack pine, in the Petawawa National Forestry Institute (PNFI) were utilized for the experiment. Extensive tree architecture measurements had been taken by the Canada Centre for Remote Sensing (CCRS) several months earlier by employing a Total Station surveying instrument which provides detailed information on branch structure. A second part of the experiment consisted of cutting down several trees and using dielectric probes to measure branch and needle permittivity values at both sites. The dielectric and the tree geometry data were used in the George Washington University (GWU) Vegetation Model to determine the C band backscattering coefficients of the individual stands for VV polarization. The model results show that backscatter at C band comes mainly from the needles and small branches and the upper portion of the trunks acts only as an attenuator. A discussion of variation of backscatter with specie structure and how dielectric variations in needles for both species may affect the total backscatter returns is provided.

Cobalt (II) oxide and nickel (II) oxide alloys as potential intermediate-band semiconductors: A theoretical study

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

Alidoust, Nima; Lessio, Martina; Carter, Emily A., E-mail: eac@princeton.edu

2016-01-14

Solar cells based on single pn junctions, employing single-gap semiconductors can ideally achieve efficiencies as high as 34%. Developing solar cells based on intermediate-band semiconductors (IBSCs), which can absorb light across multiple band gaps, is a possible way to defy this theoretical limit and achieve efficiencies as high as 60%. Here, we use first principles quantum mechanics methods and introduce CoO and Co{sub 0.25}Ni{sub 0.75}O as possible IBSCs. We show that the conduction band in both of these materials is divided into two distinct bands separated by a band gap. We further show that the lower conduction band (i.e., themore » intermediate band) is wider in Co{sub 0.25}Ni{sub 0.75}O compared with CoO. This should enhance light absorption from the valence band edge to the intermediate band, making Co{sub 0.25}Ni{sub 0.75}O more appropriate for use as an IBSC. Our findings provide the basis for future attempts to partially populate the intermediate band and to reduce the lower band gap in Co{sub 0.25}Ni{sub 0.75}O in order to enhance the potential of this material for use in IBSC solar cell technologies. Furthermore, with proper identification of heterojunctions and dopants, CoO and Co{sub 0.25}Ni{sub 0.75}O could be used in multi-color light emitting diode and laser technologies.« less

Metal-like Band Structures of Ultrathin Si {111} and {112} Surface Layers Revealed through Density Functional Theory Calculations.

PubMed

Tan, Chih-Shan; Huang, Michael H

2017-09-04

Density functional theory calculations have been performed on Si (100), (110), (111), and (112) planes with tunable number of planes for evaluation of their band structures and density of states profiles. The purpose is to see whether silicon can exhibit facet-dependent properties derived from the presence of a thin surface layer having different band structures. No changes have been observed for single to multiple layers of Si (100) and (110) planes with a consistent band gap between the valence band and the conduction band. However, for 1, 2, 4, and 5 Si (111) and (112) planes, metal-like band structures were obtained with continuous density of states going from the valence band to the conduction band. For 3, 6, and more Si (111) planes, as well as 3 and 6 Si (112) planes, the same band structure as that seen for Si (100) and (110) planes has been obtained. Thus, beyond a layer thickness of five Si (111) planes at ≈1.6 nm, normal semiconductor behavior can be expected. The emergence of metal-like band structures for the Si (111) and (112) planes are related to variation in Si-Si bond length and bond distortion plus 3s and 3p orbital electron contributions in the band structure. This work predicts possession of facet-dependent electrical properties of silicon with consequences in FinFET transistor design. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

First-principles calculations of structural, elastic, electronic, and optical properties of perovskite-type KMgH3 crystals: novel hydrogen storage material.

PubMed

Reshak, Ali H; Shalaginov, Mikhail Y; Saeed, Yasir; Kityk, I V; Auluck, S

2011-03-31

We report a first-principles study of structural and phase stability in three different structures of perovskite-types KMgH(3) according to H position. While electronic and optical properties were measured only for stable perovskite-type KMgH(3), our calculated structural parameters are found in good agreement with experiment and other theoretical results. We also study the electronic charge density space distribution contours in the (200), (101), and (100) crystallographic planes, which gives better insight picture of chemical bonding between K-H, K-Mg-H, and Mg-H. Moreover, we have calculated the electronic band structure dispersion, total, and partial density of electron states to study the band gap origin and the contribution of s-band of H, s and p-band of Mg in the valence band, and d-band of K in the conduction band. Furthermore, optical features such as dielectric functions, refractive indices, extinction coefficient, optical reflectivity, absorption coefficients, optical conductivities, and loss functions of stable KMgH(3) were calculated for photon energies up to 40 eV.

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

Radiative recombination in GaN/InGaN heterojunction bipolar transistors

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

Kao, Tsung-Ting; Lee, Yi-Che; Kim, Hee-Jin

2015-12-14

We report an electroluminescence (EL) study on npn GaN/InGaN heterojunction bipolar transistors (HBTs). Three radiative recombination paths are resolved in the HBTs, corresponding to the band-to-band transition (3.3 eV), conduction-band-to-acceptor-level transition (3.15 eV), and yellow luminescence (YL) with the emission peak at 2.2 eV. We further study possible light emission paths by operating the HBTs under different biasing conditions. The band-to-band and the conduction-band-to-acceptor-level transitions mostly arise from the intrinsic base region, while a defect-related YL band could likely originate from the quasi-neutral base region of a GaN/InGaN HBT. The I{sub B}-dependent EL intensities for these three recombination paths are discussed. The resultsmore » also show the radiative emission under the forward-active transistor mode operation is more effective than that using a diode-based emitter due to the enhanced excess electron concentration in the base region as increasing the collector current increases.« less

Photoinduced Charge Transfer from Titania to Surface Doping Site

PubMed Central

Inerbaev, Talgat; Hoefelmeyer, James D.; Kilin, Dmitri S.

2013-01-01

We evaluate a theoretical model in which Ru is substituting for Ti at the (100) surface of anatase TiO2. Charge transfer from the photo-excited TiO2 substrate to the catalytic site triggers the photo-catalytic event (such as water oxidation or reduction half-reaction). We perform ab-initio computational modeling of the charge transfer dynamics on the interface of TiO2 nanorod and catalytic site. A slab of TiO2 represents a fragment of TiO2 nanorod in the anatase phase. Titanium to ruthenium replacement is performed in a way to match the symmetry of TiO2 substrate. One molecular layer of adsorbed water is taken into consideration to mimic the experimental conditions. It is found that these adsorbed water molecules saturate dangling surface bonds and drastically affect the electronic properties of systems investigated. The modeling is performed by reduced density matrix method in the basis of Kohn-Sham orbitals. A nano-catalyst modeled through replacement defect contributes energy levels near the bottom of the conduction band of TiO2 nano-structure. An exciton in the nano-rod is dissipating due to interaction with lattice vibrations, treated through non-adiabatic coupling. The electron relaxes to conduction band edge and then to the Ru cite with faster rate than hole relaxes to the Ru cite. These results are of the importance for an optimal design of nano-materials for photo-catalytic water splitting and solar energy harvesting. PMID:23795229

Photoinduced Charge Transfer from Titania to Surface Doping Site.

PubMed

Inerbaev, Talgat; Hoefelmeyer, James D; Kilin, Dmitri S

2013-05-16

We evaluate a theoretical model in which Ru is substituting for Ti at the (100) surface of anatase TiO 2 . Charge transfer from the photo-excited TiO 2 substrate to the catalytic site triggers the photo-catalytic event (such as water oxidation or reduction half-reaction). We perform ab-initio computational modeling of the charge transfer dynamics on the interface of TiO 2 nanorod and catalytic site. A slab of TiO 2 represents a fragment of TiO 2 nanorod in the anatase phase. Titanium to ruthenium replacement is performed in a way to match the symmetry of TiO 2 substrate. One molecular layer of adsorbed water is taken into consideration to mimic the experimental conditions. It is found that these adsorbed water molecules saturate dangling surface bonds and drastically affect the electronic properties of systems investigated. The modeling is performed by reduced density matrix method in the basis of Kohn-Sham orbitals. A nano-catalyst modeled through replacement defect contributes energy levels near the bottom of the conduction band of TiO 2 nano-structure. An exciton in the nano-rod is dissipating due to interaction with lattice vibrations, treated through non-adiabatic coupling. The electron relaxes to conduction band edge and then to the Ru cite with faster rate than hole relaxes to the Ru cite. These results are of the importance for an optimal design of nano-materials for photo-catalytic water splitting and solar energy harvesting.

Object-based assessment of burn severity in diseased forests using high-spatial and high-spectral resolution MASTER airborne imagery

NASA Astrophysics Data System (ADS)

Chen, Gang; Metz, Margaret R.; Rizzo, David M.; Dillon, Whalen W.; Meentemeyer, Ross K.

2015-04-01

Forest ecosystems are subject to a variety of disturbances with increasing intensities and frequencies, which may permanently change the trajectories of forest recovery and disrupt the ecosystem services provided by trees. Fire and invasive species, especially exotic disease-causing pathogens and insects, are examples of disturbances that together could pose major threats to forest health. This study examines the impacts of fire and exotic disease (sudden oak death) on forests, with an emphasis on the assessment of post-fire burn severity in a forest where trees have experienced three stages of disease progression pre-fire: early-stage (trees retaining dried foliage and fine twigs), middle-stage (trees losing fine crown fuels), and late-stage (trees falling down). The research was conducted by applying Geographic Object-Based Image Analysis (GEOBIA) to MASTER airborne images that were acquired immediately following the fire for rapid assessment and contained both high-spatial (4 m) and high-spectral (50 bands) resolutions. Although GEOBIA has gradually become a standard tool for analyzing high-spatial resolution imagery, high-spectral resolution data (dozens to hundreds of bands) can dramatically reduce computation efficiency in the process of segmentation and object-based variable extraction, leading to complicated variable selection for succeeding modeling. Hence, we also assessed two widely used band reduction algorithms, PCA (principal component analysis) and MNF (minimum noise fraction), for the delineation of image objects and the subsequent performance of burn severity models using either PCA or MNF derived variables. To increase computation efficiency, only the top 5 PCA and MNF and top 10 PCA and MNF components were evaluated, which accounted for 10% and 20% of the total number of the original 50 spectral bands, respectively. Results show that if no band reduction was applied the models developed for the three stages of disease progression had relatively similar performance, where both spectral responses and texture contributed to burn assessments. However, the application of PCA and MNF introduced much greater variation among models across the three stages. For the early-stage disease progression, neither band reduction algorithms improved or retained the accuracy of burn severity modeling (except for the use of 10 MNF components). Compared to the no-band-reduction scenario, band reduction led to a greater level of overestimation of low-degree burns and underestimation of medium-degree burns, suggesting that the spectral variation removed by PCA and MNF was vital for distinguishing between the spectral reflectance from disease-induced dried crowns (still retaining high structural complexity) and fire ash. For the middle-stage, both algorithms improved the model R2 values by 2-37%, while the late-stage models had comparable or better performance to those using the original 50 spectral bands. This could be explained by the loss of tree crowns enabling better signal penetration, thus leading to reduced spectral variation from canopies. Hence, spectral bands containing a high degree of random noise were correctly removed by the band reduction algorithms. Compared to the middle-stage, the late-stage forest stands were covered by large piles of fallen trees and branches, resulting in higher variability of MASTER imagery. The ability of band reduction to improve the model performance for these late-stage forest stands was reduced, because the valuable spectral variation representing the actual late-stage forest status was partially removed by both algorithms as noise. Our results indicate that PCA and MNF are promising for balancing computation efficiency and the performance of burn severity models in forest stands subject to the middle and late stages of sudden oak death disease progression. Compared to PCA, MNF dramatically reduced image spectral variation, generating larger image objects with less complexity of object shapes. Whereas, PCA-based models delivered superior performance in most evaluated cases suggesting that some key spectral variability contributing to the accuracy of burn severity models in diseased forests may have been removed together with true spectral noise through MNF transformations.

Band Structure Engineering and Thermoelectric Properties of Charge-Compensated Filled Skutterudites

PubMed Central

Shi, Xiaoya; Yang, Jiong; Wu, Lijun; Salvador, James R.; Zhang, Cheng; Villaire, William L.; Haddad, Daad; Yang, Jihui; Zhu, Yimei; Li, Qiang

2015-01-01

Thermoelectric properties of semiconductors are intimately related to their electronic band structure, which can be engineered via chemical doping. Dopant Ga in the cage-structured skutterudite Co4Sb12 substitutes Sb sites while occupying the void sites. Combining quantitative scanning transmission electron microscopy and first-principles calculations, we show that Ga dual-site occupancy breaks the symmetry of the Sb-Sb network, splits the deep triply-degenerate conduction bands, and drives them downward to the band edge. The charge-compensating nature of the dual occupancy Ga increases overall filling fraction limit. By imparting this unique band structure feature, and judiciously doping the materials by increasing the Yb content, we promote the Fermi level to a point where carriers are in energetic proximity to these features. Increased participation of these heavier bands in electronic transport leads to increased thermopower and effective mass. Further, the localized distortion from Ga/Sb substitution enhances the phonon scattering to reduce the thermal conductivity effectively. PMID:26456013

Electronic structure and optical properties of iron based chalcogenide FeX2 (X = S, Se, Te) for photovoltaic applications: a first principle study

NASA Astrophysics Data System (ADS)

Ghosh, Anima; Thangavel, R.

2017-11-01

In present work, the electronic structure and optical properties of the FeX2 (X = S, Se, Te) compounds have been evaluated by the density functional theory based on the scalar-relativistic full potential linear augmented plane wave method via Wien2K. From the total energy calculations, it has been found that all the compounds have direct band nature, which determined by iron 3 d states at valance band edge and anion p dominated at conduction band at Γ-point and the fundamental band gap between the valence band and conduction band are estimated 1.40, 1.02 and 0.88 eV respectively with scissor correction for FeS2, FeSe2 and FeTe2 which are close to the experimental values. The optical properties such as dielectric tensor components and the absorption coefficient of these materials are determined in order to investigate their usefulness in photovoltaic applications.

Band structure engineering and thermoelectric properties of charge-compensated filled skutterudites

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

Shi, Xiaoya; Yang, Jiong; Wu, Lijun

2015-10-12

Thermoelectric properties of semiconductors are intimately related to their electronic band structure, which can be engineered via chemical doping. Dopant Ga in the cage-structured skutterudite Co 4Sb 12 substitutes Sb sites while occupying the void sites. Combining quantitative scanning transmission electron microscopy and first-principles calculations, we show that Ga dual-site occupancy breaks the symmetry of the Sb-Sb network, splits the deep triply-degenerate conduction bands, and drives them downward to the band edge. The charge-compensating nature of the dual occupancy Ga increases overall filling fraction limit. By imparting this unique band structure feature, and judiciously doping the materials by increasing themore » Yb content, we promote the Fermi level to a point where carriers are in energetic proximity to these features. Increased participation of these heavier bands in electronic transport leads to increased thermopower and effective mass. Further, the localized distortion from Ga/Sb substitution enhances the phonon scattering to reduce the thermal conductivity effectively.« less

Band Structure Engineering and Thermoelectric Properties of Charge-Compensated Filled Skutterudites

NASA Astrophysics Data System (ADS)

Shi, Xiaoya; Yang, Jiong; Wu, Lijun; Salvador, James R.; Zhang, Cheng; Villaire, William L.; Haddad, Daad; Yang, Jihui; Zhu, Yimei; Li, Qiang

2015-10-01

Thermoelectric properties of semiconductors are intimately related to their electronic band structure, which can be engineered via chemical doping. Dopant Ga in the cage-structured skutterudite Co4Sb12 substitutes Sb sites while occupying the void sites. Combining quantitative scanning transmission electron microscopy and first-principles calculations, we show that Ga dual-site occupancy breaks the symmetry of the Sb-Sb network, splits the deep triply-degenerate conduction bands, and drives them downward to the band edge. The charge-compensating nature of the dual occupancy Ga increases overall filling fraction limit. By imparting this unique band structure feature, and judiciously doping the materials by increasing the Yb content, we promote the Fermi level to a point where carriers are in energetic proximity to these features. Increased participation of these heavier bands in electronic transport leads to increased thermopower and effective mass. Further, the localized distortion from Ga/Sb substitution enhances the phonon scattering to reduce the thermal conductivity effectively.

Interacting Electrons in Graphene: Fermi Velocity Renormalization and Optical Response

NASA Astrophysics Data System (ADS)

Stauber, T.; Parida, P.; Trushin, M.; Ulybyshev, M. V.; Boyda, D. L.; Schliemann, J.

2017-06-01

We have developed a Hartree-Fock theory for electrons on a honeycomb lattice aiming to solve a long-standing problem of the Fermi velocity renormalization in graphene. Our model employs no fitting parameters (like an unknown band cutoff) but relies on a topological invariant (crystal structure function) that makes the Hartree-Fock sublattice spinor independent of the electron-electron interaction. Agreement with the experimental data is obtained assuming static self-screening including local field effects. As an application of the model, we derive an explicit expression for the optical conductivity and discuss the renormalization of the Drude weight. The optical conductivity is also obtained via precise quantum Monte Carlo calculations which compares well to our mean-field approach.

First-principles calculation of intrinsic defect chemistry and self-doping in PbTe

DOE PAGES

Goyal, Anuj; Gorai, Prashun; Toberer, Eric S.; ...

2017-11-10

Semiconductor dopability is inherently limited by intrinsic defect chemistry. In many thermoelectric materials, narrow band gaps due to strong spin-orbit interactions make accurate atomic level predictions of intrinsic defect chemistry and self-doping computationally challenging. For this study, we use different levels of theory to model point defects in PbTe, and compare and contrast the results against each other and a large body of experimental data. We find that to accurately reproduce the intrinsic defect chemistry and known self-doping behavior of PbTe, it is essential to (a) go beyond the semi-local GGA approximation to density functional theory, (b) include spin-orbit coupling,more » and (c) utilize many-body GW theory to describe the positions of individual band edges. The hybrid HSE functional with spin-orbit coupling included, in combination with the band edge shifts from G0W0 is the only approach that accurately captures both the intrinsic conductivity type of PbTe as function of synthesis conditions as well as the measured charge carrier concentrations, without the need for experimental inputs. Our results reaffirm the critical role of the position of individual band edges in defect calculations, and demonstrate that dopability can be accurately predicted in such challenging narrow band gap materials.« less

First-principles calculation of intrinsic defect chemistry and self-doping in PbTe

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

Goyal, Anuj; Gorai, Prashun; Toberer, Eric S.

Semiconductor dopability is inherently limited by intrinsic defect chemistry. In many thermoelectric materials, narrow band gaps due to strong spin-orbit interactions make accurate atomic level predictions of intrinsic defect chemistry and self-doping computationally challenging. For this study, we use different levels of theory to model point defects in PbTe, and compare and contrast the results against each other and a large body of experimental data. We find that to accurately reproduce the intrinsic defect chemistry and known self-doping behavior of PbTe, it is essential to (a) go beyond the semi-local GGA approximation to density functional theory, (b) include spin-orbit coupling,more » and (c) utilize many-body GW theory to describe the positions of individual band edges. The hybrid HSE functional with spin-orbit coupling included, in combination with the band edge shifts from G0W0 is the only approach that accurately captures both the intrinsic conductivity type of PbTe as function of synthesis conditions as well as the measured charge carrier concentrations, without the need for experimental inputs. Our results reaffirm the critical role of the position of individual band edges in defect calculations, and demonstrate that dopability can be accurately predicted in such challenging narrow band gap materials.« less

Exploring possibilities of band gap measurement with off-axis EELS in TEM.

PubMed

Korneychuk, Svetlana; Partoens, Bart; Guzzinati, Giulio; Ramaneti, Rajesh; Derluyn, Joff; Haenen, Ken; Verbeeck, Jo

2018-06-01

A technique to measure the band gap of dielectric materials with high refractive index by means of energy electron loss spectroscopy (EELS) is presented. The technique relies on the use of a circular (Bessel) aperture and suppresses Cherenkov losses and surface-guided light modes by enforcing a momentum transfer selection. The technique also strongly suppresses the elastic zero loss peak, making the acquisition, interpretation and signal to noise ratio of low loss spectra considerably better, especially for excitations in the first few eV of the EELS spectrum. Simulations of the low loss inelastic electron scattering probabilities demonstrate the beneficial influence of the Bessel aperture in this setup even for high accelerating voltages. The importance of selecting the optimal experimental convergence and collection angles is highlighted. The effect of the created off-axis acquisition conditions on the selection of the transitions from valence to conduction bands is discussed in detail on a simplified isotropic two band model. This opens the opportunity for deliberately selecting certain transitions by carefully tuning the microscope parameters. The suggested approach is experimentally demonstrated and provides good signal to noise ratio and interpretable band gap signals on reference samples of diamond, GaN and AlN while offering spatial resolution in the nm range. Copyright © 2018 Elsevier B.V. All rights reserved.

First-principles calculation of intrinsic defect chemistry and self-doping in PbTe

NASA Astrophysics Data System (ADS)

Goyal, Anuj; Gorai, Prashun; Toberer, Eric S.; Stevanović, Vladan

2017-10-01

Semiconductor dopability is inherently limited by intrinsic defect chemistry. In many thermoelectric materials, narrow band gaps due to strong spin-orbit interactions make accurate atomic level predictions of intrinsic defect chemistry and self-doping computationally challenging. Here we use different levels of theory to model point defects in PbTe, and compare and contrast the results against each other and a large body of experimental data. We find that to accurately reproduce the intrinsic defect chemistry and known self-doping behavior of PbTe, it is essential to (a) go beyond the semi-local GGA approximation to density functional theory, (b) include spin-orbit coupling, and (c) utilize many-body GW theory to describe the positions of individual band edges. The hybrid HSE functional with spin-orbit coupling included, in combination with the band edge shifts from G0W0 is the only approach that accurately captures both the intrinsic conductivity type of PbTe as function of synthesis conditions as well as the measured charge carrier concentrations, without the need for experimental inputs. Our results reaffirm the critical role of the position of individual band edges in defect calculations, and demonstrate that dopability can be accurately predicted in such challenging narrow band gap materials.

Far Infrared and Electrical Transport Studies of Oxide - Charge - Induced Localized States in a Model Two-Dimensional System.

NASA Astrophysics Data System (ADS)

Glaser, Evan R.

Far-infrared measurements of intersubband absorption spectra and dc electrical transport studies of n-inversion layers in (100) Si. Metal-Oxide-Semiconductor-Field-Effect-Transistors (MOSFETs) with mobile positive ions in the oxide are performed at temperatures between 1.7 and 80K. The results provide evidence for the existence of impurity bands and for screening of these localized states in this quasi two-dimensional electronic system. The properties of the elec- tronic states in the sub-micron (<10('-6)m) conducting layer of the MOS devices are probed in detail by conductance, capacitance and trans- conductance measurements and by optical absorption measure- ments with the aid of a Far-Infrared Fourier Transform Spectrometer. Data are obtained with positive oxide charge density as a parameter, varied by the drifting at room temperature of controlled amounts of. positive ions ((DELTA)N(,ox)) to the oxide-semiconductor interface (1.3 x 10('11) (LESSTHEQ) (DELTA)N(,ox) (LESSTHEQ) 7.0 x 10('11) cm('-2)) in the presence of positive gate voltages. (3-7V). In addition, high mobility devices in which no positive impurity ions had been purposely introduced are investigated to provide a basis for comparison with the corresponding results from poor mobil- ity devices. Studies are carried out for a wide range of net interfacial. oxide charge densities (2 x 10('10) cm('-2) (LESSTHEQ) N(,ox) (LESSTHEQ) 1 x 10('12) cm('-2)), and substrate source bias voltages (-9V (LESSTHEQ) V(,S) (LESSTHEQ) 1V) with the goal of. attaining a better understanding of the nature of localization effects (e.g., two-dimensional carrier localization), interface scattering, and many-body Coulombic interactions (e.g., screening effects) in these structures. The present measurements provide evidence for the existence of impurity bands and long band tails at low electron densities (n(,s) (LESSTHEQ) N(,ox)) associated with subbands due to both the inequivalent conduction-band valleys and for screening of these. localized states at high electron densities (n(,s) >(, )N(,ox)). In addition, at high inversion layer electron densities the intersubband resonance linewidths at 4.2K as a function of positive oxide charge density are found to be correlated with the corresponding scattering rates determined from the low temperature effective mobilities. The results of these studies are compared with recent experimental investigations of this and similar systems and with predictions of available theoretical models.

Atomistic modeling of BN nanofillers for mechanical and thermal properties: a review.

PubMed

Kumar, Rajesh; Parashar, Avinash

2016-01-07

Due to their exceptional mechanical properties, thermal conductivity and a wide band gap (5-6 eV), boron nitride nanotubes and nanosheets have promising applications in the field of engineering and biomedical science. Accurate modeling of failure or fracture in a nanomaterial inherently involves coupling of atomic domains of cracks and voids as well as a deformation mechanism originating from grain boundaries. This review highlights the recent progress made in the atomistic modeling of boron nitride nanofillers. Continuous improvements in computational power have made it possible to study the structural properties of these nanofillers at the atomistic scale.

Levitation of current carrying states in the lattice model for the integer quantum Hall effect.

PubMed

Koschny, T; Potempa, H; Schweitzer, L

2001-04-23

The disorder driven quantum Hall to insulator transition is investigated for a two-dimensional lattice model. The Hall conductivity and the localization length are calculated numerically near the transition. For uncorrelated and weakly correlated disorder potentials the current carrying states are annihilated by the negative Chern states originating from the band center. In the presence of correlated disorder potentials with correlation length larger than approximately half the lattice constant the floating up of the critical states in energy without merging is observed. This behavior is similar to the levitation scenario proposed for the continuum model.

Thermal and Electrical Transport in Oxide Heterostructures

NASA Astrophysics Data System (ADS)

Ravichandran, Jayakanth

This dissertation presents a study of thermal and electrical transport phenomena in heterostructures of transition metal oxides, with specific interest in understanding and tailoring thermoelectricity in these systems. Thermoelectric energy conversion is a promising method for waste heat recovery and the efficiency of such an engine is directly related to a material dependent figure of merit, Z, given as S2sigma/kappa, where S is thermopower and sigma and kappa are electrical and thermal conductivity respectively. Achieving large figure of merit has been hampered by the coupling between these three thermoelectric coefficients, and the primary aim of this study is to understand the nature of thermoelectricity in complex oxides and identify mechanisms which can allow tuning of one or more thermoelectric coefficients in a favorable manner. Unlike the heavily studied conventional thermoelectric semiconductors, transition metals based complex oxides show conduction band characteristics dominated by d-bands, with much larger effective masses and varying degrees of electron correlations. These systems provide for exotic thermoelectric effects which are typically not explained by conventional theories and hence provide an ideal platform for exploring the limits of thermoelectricity. Meanwhile, oxides are composed of earth abundant elements and have excellent high temperature stability, thus providing compelling technological possibilities for thermoelectrics based power generation. In this dissertation, we address specific aspects of thermoelectricity in model complex oxide systems such as perovskite titanates and layered cobaltates to understand thermal and thermoelectric behavior and explore the tunability of thermoelectricity in these systems. The demonstration of band engineering as a viable method to tune physical properties of materials is explored. The model system used for this case is strontium titanate, where two dopants such as La on the Sr-site and oxygen vacancies are employed to achieve band engineering. This method was used to obtain tunable transparent conducting properties and thermoelectric properties for heavily doped strontium titanate. The second aspect investigated is the use of strongly correlated materials for thermoelectricity. The cobaltates, specifically layered cobaltates, show large thermopower even at very large carrier densities. The coupling of thermopower and electrical conductivity is shown to be weaker for a strongly correlated material such as cobaltate, which opens up possibilities of complete decoupling of all three thermoelectric coefficients. Finally, the thermal properties of complex oxides, specifically in perovskite titanates, is addressed in detail. Thermal conductivity is demonstrated to be a sensitive probe for defects in a system, where processing conditions play a significant role in modulating the crystallinity of the material. The perovskite titanate superlattice system of strontium titanate and calcium titanate is used beat alloy limit. It also shows interesting period thickness dependent thermal properties. The possible origin of this effect is briefly discussed and future directions for this research is also elaborated in detail.

Structural defects and recombination behavior of excited carriers in Cu(In,Ga)Se2 solar cells

NASA Astrophysics Data System (ADS)

Yang, J.; Du, H. W.; Li, Y.; Gao, M.; Wan, Y. Z.; Xu, F.; Ma, Z. Q.

2016-08-01

The carriers' behavior in neutral region (NTR) and space charged region (SCR) of Cu(In,Ga)Se2 thin film based solar cells has been investigated by temperature dependent photoluminescence (PL-T), electroluminescence (EL-T) and current-voltage (IV-T) from 10 to 300 K. PL-T spectra show that three kinds of defects, namely VSe, InCu and (InCu+VCu), are localized within the band gap of NTR and SCR of CIGS layer, corresponding to the energy levels of EC-0.08, EC-0.20 and EC-0.25 eV, respectively. The InCu and (InCu+VCu) deep level defects are non-radiative recombination centers at room temperature. The IV-T and EL-T analysis reveals that the injection modes of electrons from ZnO conduction band into Cu(In,Ga)Se2 layer are tunneling, thermally-excited tunneling and thermionic emission under 10-40, 60-160, and 180-300 K, respectively. At 10-160 K, the electrons tunnel into (InCu+VCu) and Vse defect levels in band gap of SCR and the drifting is involved in the emission bands at 0.96 and 1.07 eV, which is the direct evidence for a tunneling assisted recombination. At 180-300 K, the electrons are directly injected into the Cu(In,Ga)Se2 conduction band, and the emission of 1.13 eV are ascribed to the transitions from the conduction band to the valence band.

Subsurface banding poultry litter impacts greenhouse gas emissions

USDA-ARS?s Scientific Manuscript database

The impact subsurface banding poultry litter (PL) has on greenhouse gas emissions is limited. Thus, a study was conducted in established bermudagrass pastures located in Coastal Plain and Piedmont regions to determine the effects subsurface applying PL has on soil flux using two different band spaci...

Theoretical study of energy states of two-dimensional electron gas in pseudomorphically strained InAs HEMTs taking into account the non-parabolicity of the conduction band

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.

Thin SOI lateral IGBT with band-to-band tunneling mechanism

NASA Astrophysics Data System (ADS)

Fu, Qiang; Tang, Zhaohuan; Tan, Kaizhou; Wang, Zhikuan; Mei, Yong

2017-06-01

In this paper, a novel 200V lateral IGBT on thin SOI layer with a band-to-band tunneling junction near the anode is proposed. The structure and the operating mechanism of the proposed IGBT are described and discussed. Its main feature is that the novel IGBT structure has a unique abrupt doped p++/n++ tunneling junction in the side of the anode. By utilizing the reverse bias characteristics of the tunneling junction, the proposed IGBT can achieve excellent reverse conducting performance. Numerical simulations suggest that a low reverse conduction voltage drop VR=-1.6V at a current density of 100A/cm2 and a soft factor S=0.63 of the build-in diode are achieved.

DSS 13 frequency stability tests performed during May 1985 through March 1986

NASA Technical Reports Server (NTRS)

Otoshi, T. Y.; Franco, M. M.

1986-01-01

Results of station frequency stability testing performed at DSS 13 (Deep Space Station) during May 1985 through March 1986 are presented. The testing was done on X-band uplink and X- and S-band downlink subsystems as well as on end-to-end systems. The subsystem test data are useful for assessing the frequency stability of various prototype X-band uplink or downlink subsystems for purposes of making design improvements. Information derived from extensive testing at DSS 13 will be useful in the preparation of an X-band Uplink Demonstration Experiment to be conducted at DSS 13, and will also be valuable in the preparations of gravity wave experiments to be conducted at other DSN stations in the future.

Cd-free buffer layer materials on Cu2ZnSn(SxSe1-x)4: Band alignments with ZnO, ZnS, and In2S3

NASA Astrophysics Data System (ADS)

Barkhouse, D. Aaron R.; Haight, Richard; Sakai, Noriyuki; Hiroi, Homare; Sugimoto, Hiroki; Mitzi, David B.

2012-05-01

The heterojunctions formed between Cu2ZnSn(SxSe1-x)4 (CZTSSe) and three Cd-free n-type buffers, ZnS, ZnO, and In2S3, were studied using femtosecond ultraviolet photoemission and photovoltage spectroscopy. The electronic properties including the Fermi level location at the interface, band bending in the CZTSSe substrate, and valence and conduction band offsets were determined and correlated with device properties. We also describe a method for determining the band bending in the buffer layer and demonstrate this for the In2S3/CZTSSe system. The chemical bath deposited In2S3 buffer is found to have near optimal conduction band offset (0.15 eV), enabling the demonstration of Cd-free In2S3/CZTSSe solar cells with 7.6% power conversion efficiency.

Polaron physics and crossover transition in magnetite probed by pressure-dependent infrared spectroscopy.

PubMed

Ebad-Allah, J; Baldassarre, L; Sing, M; Claessen, R; Brabers, V A M; Kuntscher, C A

2013-01-23

The optical properties of magnetite at room temperature were studied by infrared reflectivity measurements as a function of pressure up to 8 GPa. The optical conductivity spectrum consists of a Drude term, two sharp phonon modes, a far-infrared band at around 600 cm(-1) and a pronounced mid-infrared absorption band. With increasing pressure both absorption bands shift to lower frequencies and the phonon modes harden in a linear fashion. Based on the shape of the MIR band, the temperature dependence of the dc transport data, and the occurrence of the far-infrared band in the optical conductivity spectrum, the polaronic coupling strength in magnetite at room temperature should be classified as intermediate. For the lower energy phonon mode an abrupt increase of the linear pressure coefficient occurs at around 6 GPa, which could be attributed to minor alterations of the charge distribution among the different Fe sites.

Evolution of the Valley Position in Bulk Transition-Metal Chalcogenides and Their Monolayer Limit.

PubMed

Yuan, Hongtao; Liu, Zhongkai; Xu, Gang; Zhou, Bo; Wu, Sanfeng; Dumcenco, Dumitru; Yan, Kai; Zhang, Yi; Mo, Sung-Kwan; Dudin, Pavel; Kandyba, Victor; Yablonskikh, Mikhail; Barinov, Alexei; Shen, Zhixun; Zhang, Shoucheng; Huang, Yingsheng; Xu, Xiaodong; Hussain, Zahid; Hwang, Harold Y; Cui, Yi; Chen, Yulin

2016-08-10

Layered transition metal chalcogenides with large spin orbit coupling have recently sparked much interest due to their potential applications for electronic, optoelectronic, spintronics, and valleytronics. However, most current understanding of the electronic structure near band valleys in momentum space is based on either theoretical investigations or optical measurements, leaving the detailed band structure elusive. For example, the exact position of the conduction band valley of bulk MoS2 remains controversial. Here, using angle-resolved photoemission spectroscopy with submicron spatial resolution (micro-ARPES), we systematically imaged the conduction/valence band structure evolution across representative chalcogenides MoS2, WS2, and WSe2, as well as the thickness dependent electronic structure from bulk to the monolayer limit. These results establish a solid basis to understand the underlying valley physics of these materials, and also provide a link between chalcogenide electronic band structure and their physical properties for potential valleytronics applications.

Evolution of the Valley Position in Bulk Transition-Metal Chalcogenides and Their Monolayer Limit

DOE PAGES

Yuan, Hongtao; Liu, Zhongkai; Xu, Gang; ...

2016-07-12

Valley physics based on layered transition metal chalcogenides have recently sparked much interest due to their potential spintronics and valleytronics applications. However, most current understanding of the electronic structure near band valleys in momentum space is based on either theoretical investigations or optical measurements, leaving the detailed band structure elusive. For example, the exact position of the conduction band valley of bulk MoS 2 remains controversial. Here, using angle-resolved photoemission spectroscopy with sub-micron spatial resolution (micro- ARPES), we systematically imaged the conduction/valence band structure evolution across representative chalcogenides MoS 2, WS 2 and WSe 2, as well as the thicknessmore » dependent electronic structure from bulk to the monolayer limit. These results establish a solid basis to understand the underlying valley physics of these materials, and also provide a link between chalcogenide electronic band structure and their physical properties for potential valleytronics applications.« less

Infrared spectral marker bands characterizing a transient water wire inside a hydrophobic membrane protein.

PubMed

Wolf, Steffen; Freier, Erik; Cui, Qiang; Gerwert, Klaus

2014-12-14

Proton conduction along protein-bound "water wires" is an essential feature in membrane proteins. Here, we analyze in detail a transient water wire, which conducts protons via a hydrophobic barrier within a membrane protein to create a proton gradient. It is formed only for a millisecond out of three water molecules distributed at inactive positions in a polar environment in the ground state. The movement into a hydrophobic environment causes characteristic shifts of the water bands reflecting their different chemical properties. These band shifts are identified by time-resolved Fourier Transform Infrared difference spectroscopy and analyzed by biomolecular Quantum Mechanical/Molecular Mechanical simulations. A non-hydrogen bonded ("dangling") O-H stretching vibration band and a broad continuum absorbance caused by a combined vibration along the water wire are identified as characteristic marker bands of such water wires in a hydrophobic environment. The results provide a basic understanding of water wires in hydrophobic environments.

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

Mitkova, Maria; Butt, Darryl; Kozicki, Michael

For many decades, various radiation detecting material have been extensively researched, to find a better material or mechanism for radiation sensing. Recently, there is a growing need for a smaller and effective material or device that can perform similar functions of bulkier Geiger counters and other measurement options, which fail the requirement for easy, cheap and accurate radiation dose measurement. Here arises the use of thin film chalcogenide glass, which has unique properties of high thermal stability along with high sensitivity towards short wavelength radiation. The unique properties of chalcogenide glasses are attributed to the lone pair p-shell electrons, whichmore » provide some distinctive optical properties when compared to crystalline material. These qualities are derived from the energy band diagram and the presence of localized states in the band gap. Chalcogenide glasses have band tail states and localized states, along with the two band states. These extra states are primarily due to the lone pair electrons as well as the amorphous structure of the glasses. The localized states between the conductance band (CB) and valence band (VB) are primarily due to the presence of the lone pair electrons, while the band tail states are attributed to the Van der Waal's forces between layers of atoms [1]. Localized states are trap locations within the band gap where electrons from the valence band can hop into, in their path towards the conduction band. Tail states on the other hand are locations near the band gap edges and are known as Urbach tail states (Eu). These states are occupied with many electrons that can participate in the various transformations due to interaction with photons. According to Y. Utsugi et. al.[2], the electron-phonon interactions are responsible for the generation of the Urbach tails. These states are responsible for setting the absorption edge for these glasses and photons with energy near the band gap affect these states. We have studied the effect of x-rays and γ-rays, on thin film chalcogenide glasses and applied them in conjunction with film incorporating a silver source in a new type of radiation sensor for which we have an US patent application [3]. In this report, we give data about our studies regarding our designed radiation sensor along with the testing and performance at various radiation doses. These studies have been preceded by materials characterization research related to the compositional and structural characteristics of the active materials used in the radiation sensor design. During the work on the project, we collected a large volume of material since every experiment was repeated many times to verify the results. We conducted a comprehensive material research, analysis and discussion with the aim to understand the nature of the occurring effects, design different structures to harness these effects, generated models to aid in the understanding the effects, built different device structures and collected data to quantify device performance. These various aspects of our investigation have been detailed in previous quarterly reports. In this report, we present our main results and emphasize on the results pertaining to the core project goals materials development, sensor design and testing and with an emphasis on classifying the appropriate material and design for the optimal application. The report has three main parts: (i) Presentation of the main data; (ii) Bulleted summary of the most important results; (iii) List of the patent, journal publications, conference proceedings and conferences participation, occurring as a result of working on the project.« less

Shot noise and Fano factor in tunneling in three-band pseudospin-1 Dirac-Weyl systems

NASA Astrophysics Data System (ADS)

Zhu, Rui; Hui, Pak Ming

2017-06-01

Tunneling through a potential barrier of height V0 in a two-dimensional system with a band structure consisting of three bands with a flat band intersecting the touching apices of two Dirac cones is studied. Results of the transmission coefficient at various incident angles, conductivity, shot noise, and Fano factor in this pseudospin-1 Dirac-Weyl system are presented and contrasted with those in graphene which is typical of a pseudospin-1/2 system. The pseudospin-1 system is found to show a higher transmission and suppressed shot noise in general. Significant differences in the shot noise and Fano factor due to the super Klein tunneling effect that allows perfect transmission at all incident angles under certain conditions are illustrated. For Fermi energy EF =V0 / 2, super Klein tunneling leads to a noiseless conductivity that takes on the maximum value 2e2 DkF / (πh) for 0 ≤EF ≤V0. This gives rise to a minimum Fano factor, in sharp contrast with that of a local maximum in graphene. For EF =V0, the band structure of pseudospin-1 system no longer leads to a quantized value of the conductivity as in graphene. Both the conductivity and the shot noise show a minimum with the Fano factor approaching 1/4, which is different from the value of 1/3 in graphene.

μ SR study of the noncentrosymmetric superconductor PbTaSe2

NASA Astrophysics Data System (ADS)

Wilson, M. N.; Hallas, A. M.; Cai, Y.; Guo, S.; Gong, Z.; Sankar, R.; Chou, F. C.; Uemura, Y. J.; Luke, G. M.

2017-06-01

We present muon spin rotation and relaxation (μ SR ) measurements on the noncentrosymmetric superconductor PbTaSe2. From measurements in an applied transverse field between Hc 1 and Hc 2, we extract the superfluid density as a function of temperature in the vortex state. These data can be fit with a fully gapped two-band model, consistent with previous evidence from ARPES, thermal conductivity, and resistivity. Furthermore, zero-field measurements show no evidence for a time-reversal symmetry-breaking field greater than 0.05 G in the superconducting state. This makes exotic fully gapped spin-triplet states unlikely, and hence we contend that PbTaSe2 is characterized by conventional BCS s -wave superconductivity in multiple bands.

Noise reduction of a composite cylinder subjected to random acoustic excitation

NASA Technical Reports Server (NTRS)

Grosveld, Ferdinand W.; Beyer, T.

1989-01-01

Interior and exterior noise measurements were conducted on a stiffened composite floor-equipped cylinder, with and without an interior trim installed. Noise reduction was obtained for the case of random acoustic excitation in a diffuse field; the frequency range of interest was 100-800-Hz one-third octave bands. The measured data were compared with noise reduction predictions from the Propeller Aircraft Interior Noise (PAIN) program and from a statistical energy analysis. Structural model parameters were not predicted well by the PAIN program for the given input parameters; this resulted in incorrect noise reduction predictions for the lower one-third octave bands where the power flow into the interior of the cylinder was predicted on a mode-per-mode basis.

A comprehensive evaluation of different radiation models in a gas turbine combustor under conditions of oxy-fuel combustion with dry recycle

NASA Astrophysics Data System (ADS)

Kez, V.; Liu, F.; Consalvi, J. L.; Ströhle, J.; Epple, B.

2016-03-01

The oxy-fuel combustion is a promising CO2 capture technology from combustion systems. This process is characterized by much higher CO2 concentrations in the combustion system compared to that of the conventional air-fuel combustion. To accurately predict the enhanced thermal radiation in oxy-fuel combustion, it is essential to take into account the non-gray nature of gas radiation. In this study, radiation heat transfer in a 3D model gas turbine combustor under two test cases at 20 atm total pressure was calculated by various non-gray gas radiation models, including the statistical narrow-band (SNB) model, the statistical narrow-band correlated-k (SNBCK) model, the wide-band correlated-k (WBCK) model, the full spectrum correlated-k (FSCK) model, and several weighted sum of gray gases (WSGG) models. Calculations of SNB, SNBCK, and FSCK were conducted using the updated EM2C SNB model parameters. Results of the SNB model are considered as the benchmark solution to evaluate the accuracy of the other models considered. Results of SNBCK and FSCK are in good agreement with the benchmark solution. The WBCK model is less accurate than SNBCK or FSCK. Considering the three formulations of the WBCK model, the multiple gases formulation is the best choice regarding the accuracy and computational cost. The WSGG model with the parameters of Bordbar et al. (2014) [20] is the most accurate of the three investigated WSGG models. Use of the gray WSSG formulation leads to significant deviations from the benchmark data and should not be applied to predict radiation heat transfer in oxy-fuel combustion systems. A best practice to incorporate the state-of-the-art gas radiation models for high accuracy of radiation heat transfer calculations at minimal increase in computational cost in CFD simulation of oxy-fuel combustion systems for pressure path lengths up to about 10 bar m is suggested.

Electrical conduction mechanism of LaNi{sub x}Me{sub 1−x}O{sub 3−δ} (Me = Fe, Mn)

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

Niwa, Eiki, E-mail: e-niwa@phys.chs.nihon-u.ac.jp; Department of Integrated Sciences in Physics and Biology, College of Humanities and Sciences, Nihon University, Setagaya-ku, Tokyo 156-8550; Maeda, Hiroki

Graphical abstract: Compositional dependence of (a) electrical conductivity and (b) E{sub a} for hopping conduction of LaNi{sub x}Me{sub 1−x}O{sub 3} (Me = Fe, Mn). - Highlights: • Electrical conduction mechanism of LaNi{sub x}Me{sub 1−x}O{sub 3} (Me = Fe, Mn) was investigated. • Hopping conduction model could be applied for conductivity of both specimens. • The difference of E{sub a} due to that of energy level of Fe and Mn was observed. • Hole concentration estimated by iodimetry increases with increasing Ni content. - Abstract: Electrical conduction mechanism of LaNi{sub x}Fe{sub 1−x}O{sub 3−δ} and LaNi{sub x}Mn{sub 1−x}O{sub 3+δ} expected as Sr-freemore » new cathode material for solid oxide fuel cells was analyzed. Electrical conduction behaviors of both specimens could be well fitted by small polaron hopping conduction model. The electrical conductivity of LaNi{sub x}Fe{sub 1−x}O{sub 3−δ} increased with increasing Ni content, showing agreement with decrease of activation energy for hopping conduction. The decrease of electrical conductivity and increase of activation energy of LaNi{sub x}Mn{sub 1−x}O{sub 3+δ} were observed with increasing Ni content for 0.0 ≤ x ≤ 0.4. Further Ni substitution increased electrical conductivity and decreased activation energy for 0.4 ≤ x ≤ 0.6. It was revealed using iodometry that the difference of hole carrier density between LaNi{sub x}Fe{sub 1−x}O{sub 3−δ} and LaNi{sub x}Mn{sub 1−x}O{sub 3+δ} was small. It was suspected that the origin of the difference of electrical conduction behavior of LaNi{sub x}Fe{sub 1−x}O{sub 3−δ} and LaNi{sub x}Mn{sub 1-x}O{sub 3+δ} was difference of energy level of e{sub g} band composed of Fe 3d or Mn 3d orbitals and their overlapping quantity with O 2p and Ni 3d band.« less

Multiwalled carbon nanotubes and dispersed nanodiamond novel hybrids: Microscopic structure evolution, physical properties, and radiation resilience

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

Gupta, S.; Farmer, J.

2011-01-01

We report the structure and physical properties of novel hybrids of multiwalled carbon nanotubes (MWCNTs) and ultradispersed diamond (UDD) forming nanocomposite ensemble that were subjected to 50, 100, and 10{sup 3} kGy gamma ray doses and characterized using various analytical tools to investigate hierarchical defects evolution. This work is prompted by recent work on single-walled CNTs and UDD ensemble [Gupta et al., J. Appl. Phys. 107, 104308 (2010)] where radiation-induced microscopic defects seem to be stabilized by UDD. The present experiments show similar effects where these hybrids display only a minimal structural modification under the maximum dose. Quantitative analyses ofmore » multiwavelength Raman spectra revealed lattice defects induced by irradiation assessed through the variation in prominent D, G, and 2D bands. A minimal change in the position of D, G, and 2D bands and a marginal increase in intensity of the defect-induced double resonant Raman scattered D and 2D bands are some of the implications suggesting the radiation coupling. The in-plane correlation length (L{sub a}) was also determined following Tunistra-Koenig relation from the ratio of D to G band (I{sub D}/I{sub G}) besides microscopic stress. However, we also suggest the following taking into account of intrinsic defects of the constituents: (a) charge transfer arising at the interface due to the difference in electronegativity of MWCNT C sp{sup 2} and UDD core (C sp{sup 3}) leading to phonon and electron energy renormalization; (b) misorientation of C sp{sup 2} at the interface of MWCNT and UDD shell (C sp{sup 2}) resulting in structural disorder; (c) softening or violation of the q{approx}0 selection rule leading to D band broadening and a minimal change in G band intensity; and (d) normalized intensity of D and G bands with 2D band help to distinguish defect-induced double resonance phenomena. The MWCNT when combined with nanodiamond showed a slight decrease in their conductance further affected by irradiation pointing at relatively good interfacial contact. Furthermore, owing to high thermal and electrical conductivity properties, they can facilitate potentially efficient heat-transfer applications and some results deduced using Nielsen's model is provided.« less

Attosecond optical-field-enhanced carrier injection into the GaAs conduction band

NASA Astrophysics Data System (ADS)

Schlaepfer, F.; Lucchini, M.; Sato, S. A.; Volkov, M.; Kasmi, L.; Hartmann, N.; Rubio, A.; Gallmann, L.; Keller, U.

2018-06-01

Resolving the fundamental carrier dynamics induced in solids by strong electric fields is essential for future applications, ranging from nanoscale transistors1,2 to high-speed electro-optical switches3. How fast and at what rate can electrons be injected into the conduction band of a solid? Here, we investigate the sub-femtosecond response of GaAs induced by resonant intense near-infrared laser pulses using attosecond transient absorption spectroscopy. In particular, we unravel the distinct role of intra- versus interband transitions. Surprisingly, we found that despite the resonant driving laser, the optical response during the light-matter interaction is dominated by intraband motion. Furthermore, we observed that the coupling between the two mechanisms results in a significant enhancement of the carrier injection from the valence into the conduction band. This is especially unexpected as the intraband mechanism itself can accelerate carriers only within the same band. This physical phenomenon could be used to control ultrafast carrier excitation and boost injection rates in electronic switches in the petahertz regime.

Mapping the conduction band edge density of states of γ-In2Se3 by diffuse reflectance spectra

NASA Astrophysics Data System (ADS)

Kumar, Pradeep; Vedeshwar, Agnikumar G.

2018-03-01

It is demonstrated that the measured diffuse reflectance spectra of γ-In2Se3 can be used to map the conduction band edge density of states through Kubelka-Munk analysis. The Kubelka-Munk function derived from the measured spectra almost mimics the calculated density of states in the vicinity of conduction band edge. The calculation of density of states was carried out using first-principles approach yielding the structural, electronic, and optical properties. The calculations were carried out implementing various functionals and only modified Tran and Blaha (TB-MBJ) results tally closest with the experimental result of band gap. The electronic and optical properties were calculated using FP-LAPW + lo approach based on the Density Functional Theory formalism implementing only TB-mBJ functional. The electron and hole effective masses have been calculated as me * = 0.25 m 0 and mh * = 1.11 m 0 , respectively. The optical properties clearly indicate the anisotropic nature of γ-In2Se3.

Swift heavy ion irradiation effects on structural, optical properties and ac conductivity of polypyrrole nanofibers

NASA Astrophysics Data System (ADS)

Hazarika, J.; Kumar, A.

2016-12-01

Polypyrrole (PPy) nanofibers have been synthesized by interfacial polymerization method and irradiated with 160 MeV Ni12+ ions under vacuum with fluences in the range of 1010-1012 ions/cm2. High-resolution transmission electron microscopy results show that upon swift heavy ion (SHI) irradiation the PPy nanofibers become denser. The crystallinity of PPy nanofibers increases upon SHI irradiation, while their d-spacing decreases. Upon SHI irradiation, the polaron absorption band gets red-shifted indicating reduction in the optical band gap energy of the irradiated PPy nanofibers. The indirect optical band gap energy is decreased as compared to corresponding direct optical band gap energy. The number of carbon atoms per conjugation length (N) and carbon atoms per cluster (M) of the SHI-irradiated PPy nanofibers increase with increasing the irradiation fluence. Fourier transform infrared spectra reveal the enhancement in intensity of some characteristic vibration bands upon SHI irradiation. The thermal stability of the PPy nanofibers is enhanced on SHI irradiation. The charge carriers in both pristine and irradiated PPy nanofibers follow the correlated barrier hopping mechanism. Scaling of ac conductivity reveals that the conduction mechanism is independent of the SHI irradiation fluence.

Modeling the effect of 1 MeV electron irradiation on the performance of n+-p-p+ silicon space solar cells

NASA Astrophysics Data System (ADS)

Hamache, Abdelghani; Sengouga, Nouredine; Meftah, Afak; Henini, Mohamed

2016-06-01

Energetic particles such as electrons and protons induce severe degradation on the performance of solar cells used to power satellites and space vehicles. This degradation is usually attributed to lattice damage in the active region of the solar cell. One of the phenomena observed in silicon solar cells exposed to 1 MeV electron irradiation is the anomalous degradation of the short circuit current. It initially decreases followed by a recovery before falling again with increasing electron fluence. This behavior is usually attributed to type conversion of the solar cell active region. The other figures of merit, on the other hand, decrease monotonically. In this work numerical simulator SCAPS (Solar Cell Capacitance Simulator) is used to elucidate this phenomenon. The current-voltage characteristics of a Si n+-p-p+ structure are calculated under air mass zero spectrum with the fluence of 1 MeV electrons as a variable parameter. The effect of irradiation on the solar cell is simulated by a set of defects of which the energy levels lie deep in energy gap of silicon (much larger than the characteristic thermal energy kT far from either the conduction or valence band). Although several types of deep levels are induced by irradiation including deep donors (exchange electrons mainly with the conduction band), deep acceptors (exchange electrons mainly with the valence band) and/or generation-recombination centers (exchange electrons with both the conduction and valence bands), it was found that, only one of them (the shallowest donor) is responsible for the anomalous degradation of the short circuit current. It will be also shown, by calculating the free charge carrier profile in the active region, that this behavior is not related to type conversion but to a lateral widening of the space charge region.

Research on Community Bands: Past, Present, and Future

ERIC Educational Resources Information Center

Rohwer, Debbie

2016-01-01

The purpose of this review of literature was to synthesize findings of studies investigating community bands. This review of literature centers on research that has been conducted on community bands in status studies, historical/cultural studies, pedagogical studies, health and wellness studies, and intergenerational studies. The last section of…

Split-Channel Ballistic Transport in an InSb Nanowire.

PubMed

Estrada Saldaña, Juan Carlos; Niquet, Yann-Michel; Cleuziou, Jean-Pierre; Lee, Eduardo J H; Car, Diana; Plissard, Sébastien R; Bakkers, Erik P A M; De Franceschi, Silvano

2018-04-11

We report an experimental study of one-dimensional (1D) electronic transport in an InSb semiconducting nanowire. A total of three bottom gates are used to locally deplete the nanowire, creating a ballistic quantum point contact with only a few conducting channels. In a magnetic field, the Zeeman splitting of the corresponding 1D sub-bands is revealed by the emergence of conductance plateaus at multiples of e 2 /h, yet we find a quantized conductance pattern largely dependent on the configuration of voltages applied to the bottom gates. In particular, we can make the first plateau disappear, leaving a first conductance step of 2 e 2 / h, which is indicative of a remarkable 2-fold sub-band degeneracy that can persist up to several tesla. For certain gate voltage settings, we also observe the presence of discrete resonant states producing conductance features that can resemble those expected from the opening of a helical gap in the sub-band structure. We explain our experimental findings through the formation of two spatially separated 1D conduction channels.

Electron transport in high aspect ratio semiconductor nanowires and metal-semiconductor interfaces

NASA Astrophysics Data System (ADS)

Sun, Zhuting

We are facing variability problems for modern semiconductor transistors due to the fact that the performances of nominally identical devices in the scale of 10 100 nm could be dramatically different attributed to the small manufacturing variations. Different doping strategies give statistical variations in the number of dopant atom density ND in the channel. The material size gives variations in wire diameter dW. And the immediate environment of the material leads to an additional level of variability. E.g. vacuum-semiconductor interface causes variations in surface state density Ds, metal-semiconductor interface causes variations in Schottky barrier and dielectric semiconductor interface induces dielectric confinement at small scales. To approach these variability problems, I choose Si-doped GaAs nanowires as an example. I investigate transport in Si-doped GaAs nanowire (NW) samples contacted by lithographically patterned Gold-Titanium films as function of temperature T. I find a drastically different temperature dependence between the wire resistance RW, which is relatively weak, and the zero bias resistance RC, which is strong. I show that the data are consistent with a model based on a sharp donor energy level slightly above the bottom of the semiconductor conduction band and develop a simple method for using transport measurements for estimates of the doping density after nanowire growth. I discuss the predictions of effective free carrier density n eff as function of the surface state density Ds and wire size dW. I also describe a correction to the widely used model of Schottky contacts that improves thermodynamic consistency of the Schottky tunnel barrier profile and show that the original theory may underestimate the barrier conductance under certain conditions. I also provide analytical calculations for shallow silicon dopant energy in GaAs crystals, and find the presence of dielectrics (dielectric screening) and free carriers (Coulomb screening) cause a reduction of ionization energy and shift the donor energy level ED upward, accompanying conduction band EC shift downward due to band gap narrowing for doped semiconductor material. The theoretical results are in a reasonable agreement with previous experimental data. I also find that when the material reduces to nanoscale, dielectric confinement and surface depletion compete with both Coulomb screening and dielectric screening that shift the donor level ED down towards the band gap. The calculation should be appropriate for all types of semiconductors and dopant species.

Vacuum chamber for containing particle beams

DOEpatents

Harvey, A.

1985-11-26

A vacuum chamber for containing a charged particle beam in a rapidly changing magnetic environment comprises a ceramic pipe with conducting strips oriented along the longitudinal axis of the pipe and with circumferential conducting bands oriented perpendicular to the longitudinal axis but joined with a single longitudinal electrical connection. When both strips and bands are on the outside of the ceramic pipe, insulated from each other, a high-resistance conductive layer such as nickel can be coated on the inside of the pipe.

Retrieval of ice cloud properties using an optimal estimation algorithm and MODIS infrared observations. Part I: Forward model, error analysis, and information content

PubMed Central

Wang, Chenxi; Platnick, Steven; Zhang, Zhibo; Meyer, Kerry; Yang, Ping

2018-01-01

An optimal estimation (OE) retrieval method is developed to infer three ice cloud properties simultaneously: optical thickness (τ), effective radius (reff), and cloud-top height (h). This method is based on a fast radiative transfer (RT) model and infrared (IR) observations from the MODerate resolution Imaging Spectroradiometer (MODIS). This study conducts thorough error and information content analyses to understand the error propagation and performance of retrievals from various MODIS band combinations under different cloud/atmosphere states. Specifically, the algorithm takes into account four error sources: measurement uncertainty, fast RT model uncertainty, uncertainties in ancillary datasets (e.g., atmospheric state), and assumed ice crystal habit uncertainties. It is found that the ancillary and ice crystal habit error sources dominate the MODIS IR retrieval uncertainty and cannot be ignored. The information content analysis shows that, for a given ice cloud, the use of four MODIS IR observations is sufficient to retrieve the three cloud properties. However, the selection of MODIS IR bands that provide the most information and their order of importance varies with both the ice cloud properties and the ambient atmospheric and the surface states. As a result, this study suggests the inclusion of all MODIS IR bands in practice since little a priori information is available. PMID:29707470

Retrieval of Ice Cloud Properties Using an Optimal Estimation Algorithm and MODIS Infrared Observations. Part I: Forward Model, Error Analysis, and Information Content

NASA Technical Reports Server (NTRS)

Wang, Chenxi; Platnick, Steven; Zhang, Zhibo; Meyer, Kerry; Yang, Ping

2016-01-01

An optimal estimation (OE) retrieval method is developed to infer three ice cloud properties simultaneously: optical thickness (tau), effective radius (r(sub eff)), and cloud-top height (h). This method is based on a fast radiative transfer (RT) model and infrared (IR) observations from the MODerate resolution Imaging Spectroradiometer (MODIS). This study conducts thorough error and information content analyses to understand the error propagation and performance of retrievals from various MODIS band combinations under different cloud/atmosphere states. Specifically, the algorithm takes into account four error sources: measurement uncertainty, fast RT model uncertainty, uncertainties in ancillary datasets (e.g., atmospheric state), and assumed ice crystal habit uncertainties. It is found that the ancillary and ice crystal habit error sources dominate the MODIS IR retrieval uncertainty and cannot be ignored. The information content analysis shows that, for a given ice cloud, the use of four MODIS IR observations is sufficient to retrieve the three cloud properties. However, the selection of MODIS IR bands that provide the most information and their order of importance varies with both the ice cloud properties and the ambient atmospheric and the surface states. As a result, this study suggests the inclusion of all MODIS IR bands in practice since little a priori information is available.

Retrieval of Ice Cloud Properties Using an Optimal Estimation Algorithm and MODIS Infrared Observations. Part I: Forward Model, Error Analysis, and Information Content

NASA Technical Reports Server (NTRS)

Wang, Chenxi; Platnick, Steven; Zhang, Zhibo; Meyer, Kerry; Yang, Ping

2016-01-01

An optimal estimation (OE) retrieval method is developed to infer three ice cloud properties simultaneously: optical thickness (tau), effective radius (r(sub eff)), and cloud top height (h). This method is based on a fast radiative transfer (RT) model and infrared (IR) observations from the MODerate resolution Imaging Spectroradiometer (MODIS). This study conducts thorough error and information content analyses to understand the error propagation and performance of retrievals from various MODIS band combinations under different cloud/atmosphere states. Specifically, the algorithm takes into account four error sources: measurement uncertainty, fast RT model uncertainty, uncertainties in ancillary data sets (e.g., atmospheric state), and assumed ice crystal habit uncertainties. It is found that the ancillary and ice crystal habit error sources dominate the MODIS IR retrieval uncertainty and cannot be ignored. The information content analysis shows that for a given ice cloud, the use of four MODIS IR observations is sufficient to retrieve the three cloud properties. However, the selection of MODIS IR bands that provide the most information and their order of importance varies with both the ice cloud properties and the ambient atmospheric and the surface states. As a result, this study suggests the inclusion of all MODIS IR bands in practice since little a priori information is available.

Studies of the dependence of the microwave radar cross section on ocean surface variables during the FASINEX experiment

NASA Technical Reports Server (NTRS)

Weissman, D. A.; Li, Fuk

1988-01-01

The ability of theoretical radar cross section (RCS) models to predict the absolute magnitude of the ocean radar cross section under a wide variety of sea and atmospheric conditions was studied using experimental data from the FASINEX Experiment. This consists of RCS data from a Ku-band scatterometer mounted on an aircraft (10 separate flights were conducted), a wide variety of atmospheric measurements (including stress) and sea conditions. Theoretical models are tested. Where discrepancies are observed, revisions are hypothesized and evaluated.

Intrinsic Carrier Concentration and Electron Effective Mass in Hg(1-x) Zn(x) Te

NASA Technical Reports Server (NTRS)

Sha, Yi-Gao; Su, Ching-Hua; Lehoczky, S. L.

1997-01-01

In this work, the intrinsic carrier concentration and electron effective mass in Hg(l-x)Zn(x)Te were numerically calculated. We adopt the procedures similar to those used by Su et. al. for calculating intrinsic carrier concentrations in Hg(1-x)Cd(x)Te which solve the exact dispersion relation in Kane model for the calculation of the conduction band electron concentrations and the corresponding electron effective masses. No approximation beyond those inherent in the k centered dot p model was used here.

Studies of the dependence of the microwave radar cross section on ocean surface variables during the FASINEX experiment

NASA Astrophysics Data System (ADS)

Weissman, D. A.; Li, Fuk

1988-08-01

The ability of theoretical radar cross section (RCS) models to predict the absolute magnitude of the ocean radar cross section under a wide variety of sea and atmospheric conditions was studied using experimental data from the FASINEX Experiment. This consists of RCS data from a Ku-band scatterometer mounted on an aircraft (10 separate flights were conducted), a wide variety of atmospheric measurements (including stress) and sea conditions. Theoretical models are tested. Where discrepancies are observed, revisions are hypothesized and evaluated.

On the transport coefficients of hydrogen in the inertial confinement fusion regime

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

Lambert, Flavien; Recoules, Vanina; Decoster, Alain

2011-05-15

Ab initio molecular dynamics is used to compute the thermal and electrical conductivities of hydrogen from 10 to 160 g cm{sup -3} and temperatures up to 800 eV, i.e., thermodynamical conditions relevant to inertial confinement fusion (ICF). The ionic structure is obtained using molecular dynamics simulations based on an orbital-free treatment for the electrons. The transport properties were computed using ab initio simulations in the DFT/LDA approximation. The thermal and electrical conductivities are evaluated using Kubo-Greenwood formulation. Particular attention is paid to the convergence of electronic transport properties with respect to the number of bands and atoms. These calculations aremore » then used to check various analytical models (Hubbard's, Lee-More's and Ichimaru's) widely used in hydrodynamics simulations of ICF capsule implosions. The Lorenz number, which is the ratio between thermal and electrical conductivities, is also computed and compared to the well-known Wiedemann-Franz law in different regimes ranging from the highly degenerate to the kinetic one. This allows us to deduce electrical conductivity from thermal conductivity for analytical model. We find that the coupling of Hubbard and Spitzer models gives a correct description of the behavior of electrical and thermal conductivities in the whole thermodynamic regime.« less

Keeping the band together: evidence for false boundary disruptive coloration in a butterfly.

PubMed

Seymoure, B M; Aiello, A

2015-09-01

There is a recent surge of evidence supporting disruptive coloration, in which patterns break up the animal's outline through false edges or boundaries, increasing survival in animals by reducing predator detection and/or preventing recognition. Although research has demonstrated that false edges are successful for reducing predation of prey, research into the role of internal false boundaries (i.e. stripes and bands) in reducing predation remains warranted. Many animals have stripes and bands that may function disruptively. Here, we test the possible disruptive function of wing band patterning in a butterfly, Anartia fatima, using artificial paper and plasticine models in Panama. We manipulated the band so that one model type had the band shifted to the wing margin (nondisruptive treatment) and another model had a discontinuous band located on the wing margin (discontinuous edge treatment). We kept the natural wing pattern to represent the false boundary treatment. Across all treatment groups, we standardized the area of colour and used avian visual models to confirm a match between manipulated and natural wing colours. False boundary models had higher survival than either the discontinuous edge model or the nondisruptive model. There was no survival difference between the discontinuous edge model and the nondisruptive model. Our results demonstrate the importance of wing bands in reducing predation on butterflies and show that markings set in from the wing margin can reduce predation more effectively than marginal bands and discontinuous marginal patterns. This study demonstrates an adaptive benefit of having stripes and bands. © 2015 European Society For Evolutionary Biology.

Approximate Solution Methods for Spectral Radiative Transfer in High Refractive Index Layers

NASA Technical Reports Server (NTRS)

Siegel, R.; Spuckler, C. M.

1994-01-01

Some ceramic materials for high temperature applications are partially transparent for radiative transfer. The refractive indices of these materials can be substantially greater than one which influences internal radiative emission and reflections. Heat transfer behavior of single and laminated layers has been obtained in the literature by numerical solutions of the radiative transfer equations coupled with heat conduction and heating at the boundaries by convection and radiation. Two-flux and diffusion methods are investigated here to obtain approximate solutions using a simpler formulation than required for exact numerical solutions. Isotropic scattering is included. The two-flux method for a single layer yields excellent results for gray and two band spectral calculations. The diffusion method yields a good approximation for spectral behavior in laminated multiple layers if the overall optical thickness is larger than about ten. A hybrid spectral model is developed using the two-flux method in the optically thin bands, and radiative diffusion in bands that are optically thick.

Electronic transport in disordered MoS2 nanoribbons

NASA Astrophysics Data System (ADS)

Ridolfi, Emilia; Lima, Leandro R. F.; Mucciolo, Eduardo R.; Lewenkopf, Caio H.

2017-01-01

We study the electronic structure and transport properties of zigzag and armchair monolayer molybdenum disulfide nanoribbons using an 11-band tight-binding model that accurately reproduces the material's bulk band structure near the band gap. We study the electronic properties of pristine zigzag and armchair nanoribbons, paying particular attention to the edges states that appear within the MoS2 bulk gap. By analyzing both their orbital composition and their local density of states, we find that in zigzag-terminated nanoribbons these states can be localized at a single edge for certain energies independent of the nanoribbon width. We also study the effects of disorder in these systems using the recursive Green's function technique. We show that for the zigzag nanoribbons, the conductance due to the edge states is strongly suppressed by short-range disorder such as vacancies. In contrast, the local density of states still shows edge localization. We also show that long-range disorder has a small effect on the transport properties of nanoribbons within the bulk gap energy window.

Remarkable optical red shift and extremely high optical absorption coefficient of V-Ga co-doped TiO2

NASA Astrophysics Data System (ADS)

Deng, Quanrong; Han, Xiaoping; Gao, Yun; Shao, Guosheng

2012-07-01

A first attempt has been made to study the effect of codoping of transition metal and sp metal on the electronic structure and associated optical properties of TiO2, through V-Ga codoped thin films. V-Ga codoped rutile TiO2 films were fabricated on fused quartz substrates using pulsed laser ablation, followed by heat treatment at high temperatures. Gigantic redshift in the optical absorption edge was observed in V-Ga co-doped TiO2 materials, from UV to infrared region with high absorption coefficient. Through combined structural characterization and theoretical modeling, this is attributed to the p-d hybridization between the two metals. This leads to additional energy bands to overlap with the minimum of the conduction band, leading to remarkably narrowed band gap free of mid-gap states. The direct-gap of the co-doped phase is key to the remarkably high optical absorption coefficient of the coped titania.

Effects of nanoscale vacuum gap on photon-enhanced thermionic emission devices

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

Wang, Yuan; Liao, Tianjun; Zhang, Yanchao

2016-01-28

A new model of the photon-enhanced thermionic emission (PETE) device with a nanoscale vacuum gap is established by introducing the quantum tunneling effect and the image force correction. Analytic expressions for both the thermionic emission and tunneling currents are derived. The electron concentration and the temperature of the cathode are determined by the particle conservation and energy balance equations. The effects of the operating voltage on the maximum potential barrier, cathode temperature, electron concentration and equilibrium electron concentration of the conduction band, and efficiency of the PETE device are discussed in detail for different given values of the vacuum gapmore » length. The influence of the band gap of the cathode and flux concentration on the efficiency is further analyzed. The maximum efficiency of the PETE and the corresponding optimum values of the band gap and the operating voltage are determined. The results obtained here show that the efficiency of the PETE device can be significantly improved by employing a nanoscale vacuum gap.« less

Interplay between spin-orbit coupling and crystal-field effect in topological insulators

NASA Astrophysics Data System (ADS)

Lee, Hyungjun; Yazyev, Oleg V.

2015-07-01

Band inversion, one of the key signatures of time-reversal invariant topological insulators (TIs), arises mostly due to the spin-orbit (SO) coupling. Here, based on ab initio density-functional calculations, we report a theoretical investigation of the SO-driven band inversion in isostructural bismuth and antimony chalcogenide TIs from the viewpoint of its interplay with the crystal-field effect. We calculate the SO-induced energy shift of states in the top valence and bottom conduction manifolds and reproduce this behavior using a simple one-atom model adjusted to incorporate the crystal-field effect. The crystal-field splitting is shown to compete with the SO coupling, that is, stronger crystal-field splitting leads to weaker SO band shift. We further show how both these effects can be controlled by changing the chemical composition, whereas the crystal-field splitting can be tuned by means of uniaxial strain. These results provide a practical guidance to the rational design of novel TIs as well as to controlling the properties of existing materials.

Response of Thematic Mapper bands to plant water stress

NASA Technical Reports Server (NTRS)

Cibula, W. G.; Zetka, E. F.; Rickman, D. L.

1992-01-01

Changes in leaf reflectance as water content decreases have been hypothesized to occur in the 1.55-1.75 and 2.08-2.35 micron wavelength regions. To evaluate this hypothesis, studies were conducted on ryegrass (Lolium multiflorum Lam.) and oats (Avena sativa L.), which were grown in a controlled, outdoor situation. Both fully-watered control beds and water-stressed beds were periodically examined with a spectroradiometer calibrated against a reflectance reference of polytetrafluoroethylene. The observed changes correspond to those predicted by stochastic leaf models employed by other investigators (leaf reflection increases in the 1.55-1.75 micron region as leaf water content decreases). Although the percentage changes in TM bands 1-3 are nearly as great as those found in TM bands 5 and 7, the absolute values of reflectance change are much lower. It is believed that these patterns are probably characteristic of a broad range of vegetation types. In terms of phenomena detection, these patterns should be considered in any practical remote sensing sensor scenario.

Nanodopant-Induced Band Modulation in AgPbmSbTe2+m-Type Nanocomposites

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

Zhang, Yi; Ke, Xuezhi; Chen, Changfeng

2011-01-01

We elucidate the fundamental physics of nanoscale dopants in narrow band-gap thermoelectric nanocomposites XPbmYTe2+m (X=Ag,Na; Y=Sb,Bi) using first-principles calculations. Our re- sults unveil distinct band-structure modulations, most notably a sizable band-gap widening driven by nanodopant-induced lattice strain and a band split-off at the conduction band minimum caused by the spin-orbit interaction of the dopant Sb or Bi atoms. Boltzmann transport calculations demon- strate that these band modulations have significant but competing effects on high-temperature elec- tron transport behavior. These results offer insights for understanding recent experimental findings and suggest principles for optimizing thermoelectric properties of narrow band-gap semiconductors.

75 FR 35315 - Improving Public Safety Communications in the 800 MHz Band; New 800 MHz Band Plan for Puerto Rico...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-06-22

... Clauses Accordingly, it is ordered, pursuant to Sections 4(i) and 332 of the Communications Act of 1934.... Sprint Nextel and relocating incumbents may agree to conduct face-to-face negotiations or either party.... Sprint Nextel and relocating incumbents may agree to conduct face-to-face negotiations or either party...

Low-Cost, High-Performance Analog Optical Links

DTIC Science & Technology

2006-12-01

connected by tunnel junctions, which permit the forward conduction of current when they are reverse biased . Hence a key step in the development of the... bias voltage, where the measured IV is shown by the dotted curve. The common tunnel junction IV model assumed a triangular-shaped band structure. A... tunneling characteristics with negative differential resistance and a resistance under reverse bias around 12 Ω. This was higher than the previously grown

Influence of non-collisional laser heating on the electron dynamics in dielectric materials

NASA Astrophysics Data System (ADS)

Barilleau, L.; Duchateau, G.; Chimier, B.; Geoffroy, G.; Tikhonchuk, V.

2016-12-01

The electron dynamics in dielectric materials induced by intense femtosecond laser pulses is theoretically addressed. The laser driven temporal evolution of the energy distribution of electrons in the conduction band is described by a kinetic Boltzmann equation. In addition to the collisional processes for energy transfer such as electron-phonon-photon and electron-electron interactions, a non-collisional process for photon absorption in the conduction band is included. It relies on direct transitions between sub-bands of the conduction band through multiphoton absorption. This mechanism is shown to significantly contribute to the laser heating of conduction electrons for large enough laser intensities. It also increases the time required for the electron distribution to reach the equilibrium state as described by the Fermi-Dirac statistics. Quantitative results are provided for quartz irradiated by a femtosecond laser pulse with a wavelength of 800 nm and for intensities in the range of tens of TW cm-2, lower than the ablation threshold. The change in the energy deposition induced by this non-collisional heating process is expected to have a significant influence on the laser processing of dielectric materials.

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

Prokofieva, L. V., E-mail: lprokofieva496@gmail.com; Pshenay-Severin, D. A.; Konstantinov, P. P.

The reliability of determination of model parameters for the Bi{sub 2}Te{sub 3-x}Se{sub x} alloys is improved by extending the concentration and temperature ranges in experimental studies and, correspondingly, in calculations of kinetic coefficients based on the two-band model of the electronic spectrum. The obtained results served as a motivation for a study of the thermoelectric figure of merit for the above-mentioned alloys with x = 0.3, 0.45, and 0.6 and with the electron concentration varied in the range (1-50) x 10{sup 18} cm{sup -3} at temperatures 300-550 K. Comparison of the results showed that the highest efficiency is exhibited bymore » the Bi{sub 2}Te{sub 2.7}Se{sub 0.3} alloy with the absolute value of the thermoelectric power of about 165 {mu}VK{sup -1} at 300 K, and the dimensionless efficiency is equal to 1.2 at 410 K. An appreciable decrease in thermal conductivity in alloys with x = 0.6 at 410 K is related to a larger band gap and could beneficially affect the figure of merit. However, the magnitude of this effect is found to be too small to compensate a decrease in electrical conductivity due to a large fraction of heavy electrons in the concentration and to a high content of selenium.« less

First-principles study on half-metallic ferromagnetic properties of Zn1- x V x Se ternary alloys

NASA Astrophysics Data System (ADS)

Khatta, Swati; Tripathi, S. K.; Prakash, Satya

2017-09-01

The spin-polarised density functional theory along with self-consistent plane-wave pseudopotential is used to investigate the half-metallic ferromagnetic properties of ternary alloys Zn1- x V x Se. The generalized gradient approximation is used for exchange-correlation potential. The equilibrium lattice constants, bulk modulus, and its derivatives are calculated. The calculated spin-polarised energy-band structures reveal that these alloys are half-metallic for x = 0.375 and 0.50 and nearly half-metallic for other values of x. The estimated direct and indirect bandgaps may be useful for the magneto-optical absorption experiments. It is found that there is strong Zn 4s, Se 4p, and V 3d orbital hybridization in the conduction bands of both the spins, while Se 4p and V 3d orbital hybridization predominates in the valence bands of both the spins. The s, p-d, and p-d orbital hybridization reduces the local magnetic moment of V atoms and small local magnetic moments are produced on Zn and Se atoms which get coupled with V atoms in ferromagnetic and antiferromagnetic phases, respectively. The conduction and valence-band-edge splittings and exchange constants predict the ferromagnetism in these alloys. The conduction band-impurity (s and p-d) exchange interaction is more significant for ferromagnetism in these alloys than the valence band-impurity (p-d) exchange interaction.

Coexistence: Threat to the Performance of Heterogeneous Network

NASA Astrophysics Data System (ADS)

Sharma, Neetu; Kaur, Amanpreet

2010-11-01

Wireless technology is gaining broad acceptance as users opt for the freedom that only wireless network can provide. Well-accepted wireless communication technologies generally operate in frequency bands that are shared among several users, often using different RF schemes. This is true in particular for WiFi, Bluetooth, and more recently ZigBee. These all three operate in the unlicensed 2.4 GHz band, also known as ISM band, which has been key to the development of a competitive and innovative market for wireless embedded devices. But, as with any resource held in common, it is crucial that those technologies coexist peacefully to allow each user of the band to fulfill its communication goals. This has led to an increase in wireless devices intended for use in IEEE 802.11 wireless local area networks (WLANs) and wireless personal area networks (WPANs), both of which support operation in the crowded 2.4-GHz industrial, scientific and medical (ISM) band. Despite efforts made by standardization bodies to ensure smooth coexistence it may occur that communication technologies transmitting for instance at very different power levels interfere with each other. In particular, it has been pointed out that ZigBee could potentially experience interference from WiFi traffic given that while both protocols can transmit on the same channel, WiFi transmissions usually occur at much higher power level. In this work, we considered a heterogeneous network and analyzed the impact of coexistence between IEEE 802.15.4 and IEEE 802.11b. To evaluate the performance of this network, measurement and simulation study are conducted and developed in the QualNet Network simulator, version 5.0.Model is analyzed for different placement models or topologies such as Random. Grid & Uniform. Performance is analyzed on the basis of characteristics such as throughput, average jitter and average end to end delay. Here, the impact of varying different antenna gain & shadowing model for this heterogeneous network is considered for the purpose of analysis.

The influence of particle shape on dielectric enhancement in metal-insulator composites

NASA Astrophysics Data System (ADS)

Doyle, W. T.; Jacobs, I. S.

1992-04-01

Disordered suspensions of conducting particles exhibit substantial permittivity enhancements beyond the predictions of the Clausius-Mossotti equation and other purely dipolar approximations. The magnitude of the enhancement depends upon the shape of the particles. A recently developed effective cluster model for spherical particles [Phys. Rev. B 42, 9319 (1990)] that treats a disordered suspension as a mixture, or mesosuspension, of isolated spheres and close-packed spherical clusters of arbitrary size is in excellent agreement with experiments on well-stirred suspensions of spheres over the entire accessible range of volume loading. In this paper, the effective cluster model is extended to be applicable to disordered suspensions of arbitrarily shaped conducting particles. Two physical parameters are used to characterize a general suspension: the angular average polarizability of an isolated particle, and the volume loading at closest packing of the suspension. Multipole interactions within the clusters are treated exactly. External particle-shape-dependent interactions between clusters and isolated particles are treated in the dipole approximation in two ways: explicitly, using the Clausius-Mossotti equation, and implicitly, using the Wiener equation. Both versions of the model are used to find the permittivity of a monodisperse suspension of conducting spheroids, for which the model parameters can be determined independently. The two versions are in good agreement when the axial ratio of the particles is not extreme. The Clausius-Mossotti version of the model yields a mesoscopic analogue of the dielectric virial expansion. It is limited to small volume loadings when the particles have an extremely nonspherical shape. The Wiener equation version of the model holds at all volume loadings for particles of arbitrary shape. Comparison of the two versions of the model leads to a simple physical interpretation of Wiener's equation. The models are compared with experiments of Kelly, Stenoien, and Isbell [J. Appl. Phys. 24, 258 (1953)] on aluminum and zinc particles in paraffin, with Nasuhoglu's experiments on iron particles in oil [Commun. Fac. Sci. Univ. Ankara 4, 108 (1952)], and with new X-band and Kα-band permittivity measurements on Ni-Cr alloy particles in a polyurethane binder.

Electronic conductance of a poly(p-phenylene)-like nanowire in the presence of thermal atomic vibrations

NASA Astrophysics Data System (ADS)

Shariati, Ashrafalsadat; Rabani, Hassan; Mardaani, Mohammad

2017-10-01

We present a theoretical method based on Green’s function technique and tight-binding approach as well as harmonic approximation in order to calculate the coherent electronic conductance of an extended poly(p-phenylene) oligomer in the presence of thermal atomic vibrations. We study two proposed mass-spring models for atomic vibrations: one, including rigid benzene rings connected to each other by vibrating bonds; and in another, the bonds along the oligomer vibrate even in the benzene rings. The electron-phonon (e-ph) interaction influences the electron hopping energies linearly with respect to atomic displacements. The model shows that the conductance spectra exhibit some new energy gaps in the presence of e-ph interaction even at zero temperature. The conductance is more affected by e-ph interaction when the atomic vibrations are supposed to be present in the benzene rings. At the edges of the band energy and central gap, the phonon-assisted phenomena can be observed. Generally, the increasing e-ph interaction strength as well as temperature destroys the electronic conductance especially in the resonance region.

New Global 3D Upper to Mid-mantle Electrical Conductivity Model Based on Observatory Data with Realistic Auroral Sources

NASA Astrophysics Data System (ADS)

Kelbert, A.; Egbert, G. D.; Sun, J.

2011-12-01

Poleward of 45-50 degrees (geomagnetic) observatory data are influenced significantly by auroral ionospheric current systems, invalidating the simplifying zonal dipole source assumption traditionally used for long period (T > 2 days) geomagnetic induction studies. Previous efforts to use these data to obtain the global electrical conductivity distribution in Earth's mantle have omitted high-latitude sites (further thinning an already sparse dataset) and/or corrected the affected transfer functions using a highly simplified model of auroral source currents. Although these strategies are partly effective, there remain clear suggestions of source contamination in most recent 3D inverse solutions - specifically, bands of conductive features are found near auroral latitudes. We report on a new approach to this problem, based on adjusting both external field structure and 3D Earth conductivity to fit observatory data. As an initial step towards full joint inversion we are using a two step procedure. In the first stage, we adopt a simplified conductivity model, with a thin-sheet of variable conductance (to represent the oceans) overlying a 1D Earth, to invert observed magnetic fields for external source spatial structure. Input data for this inversion are obtained from frequency domain principal components (PC) analysis of geomagnetic observatory hourly mean values. To make this (essentially linear) inverse problem well-posed we regularize using covariances for source field structure that are consistent with well-established properties of auroral ionospheric (and magnetospheric) current systems, and basic physics of the EM fields. In the second stage, we use a 3D finite difference inversion code, with source fields estimated from the first stage, to further fit the observatory PC modes. We incorporate higher latitude data into the inversion, and maximize the amount of available information by directly inverting the magnetic field components of the PC modes, instead of transfer functions such as C-responses used previously. Recent improvements in accuracy and speed of the forward and inverse finite difference codes (a secondary field formulation and parallelization over frequencies) allow us to use finer computational grid for inversion, and thus to model finer scale features, making full use of the expanded data set. Overall, our approach presents an improvement over earlier observatory data interpretation techniques, making better use of the available data, and allowing to explore the trade-offs between complications in source structure, and heterogeneities in mantle conductivity. We will also report on progress towards applying the same approach to simultaneous source/conductivity inversion of shorter period observatory data, focusing especially on the daily variation band.

The Aplication of Landsat 8 OLI for Total Suspended Solid (TSS) Mapping in Gajahmungkur Reservoir Wonogiri Regency 2016

NASA Astrophysics Data System (ADS)

Yanti, Apriwida; Susilo, Bowo; Wicaksono, Pramaditya

2016-11-01

Gajahmungkur reservoir is administratively located in Wonogiri Regency, Central Java, with the main function as a flood control in the upstream of Bengawan Solo River. Other functions of the reservoir are as hydroelectric power plant (PLTA), water supply, irrigation, fisheries and tourism. Economic utilization of the reservoir is estimated until 100 years, but it is begun to be threatened by the silting of the reservoir. Eroded materials entering water body will be suspended and accumulated. Suspended Material or TSS (Total Suspended Solid) will increase the turbidity of water, which can affect the quality of water and silting the reservoir. Remote sensing technology can be used to determine the spatial distribution of TSS. The purposes of this study were to 1) utilize and compare the accuracy of single band Landsat 8 OLI for mapping the spatial distribution of TSS and 2) estimate the TSS on Gajahmungkur reservoir surface waters up to the depth of 30 cm. The method used for modelling the TSS spatial distribution is the empirical modelling that integrates image pixel values and field data using correlation analysis and regression analysis. The data used in the empirical modelling are single band of visible, NIR, and SWIR of Landsat 8 OLI, which was acquired on 8 May 2016, and field-measured TSS values based on the field data collection conducted on 12 April 2016. The results revealed that mapping the distribution and the estimated value of TSS in Reservoir Gajahmungkur can be performed more accurately using band 4 (red band). The determinant coefficient between TSS field and TSS value of image using band 4 is 0.5431. The Standard Error (SE) of the predicted TSS value is 16.16 mg/L. The results also showed that the estimated total TSS of May 2016 according to band 4 is 1.087,56 tons. The average estimation of TSS value in up to the depth of 30 cm is 61.61 mg/L. The highest TSS distribution is in the northern parts, which was dominated by eroded materials from Keduang River.

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.

Multiband corrections for the semi-classical simulation of interband tunneling in GaAs tunnel junctions

NASA Astrophysics Data System (ADS)

Louarn, K.; Claveau, Y.; Hapiuk, D.; Fontaine, C.; Arnoult, A.; Taliercio, T.; Licitra, C.; Piquemal, F.; Bounouh, A.; Cavassilas, N.; Almuneau, G.

2017-09-01

The aim of this study is to investigate the impact of multiband corrections on the current density in GaAs tunnel junctions (TJs) calculated with a refined yet simple semi-classical interband tunneling model (SCITM). The non-parabolicity of the considered bands and the spin-orbit effects are considered by using a recently revisited SCITM available in the literature. The model is confronted to experimental results from a series of molecular beam epitaxy grown GaAs TJs and to numerical results obtained with a full quantum model based on the non-equilibrium Green’s function formalism and a 6-band k.p Hamiltonian. We emphasize the importance of considering the non-parabolicity of the conduction band by two different measurements of the energy-dependent electron effective mass in N-doped GaAs. We also propose an innovative method to compute the non-uniform electric field in the TJ for the SCITM simulations, which is of prime importance for a successful operation of the model. We demonstrate that, when considering the multiband corrections and this new computation of the non-uniform electric field, the SCITM succeeds in predicting the electrical characteristics of GaAs TJs, and are also in agreement with the quantum model. Besides the fundamental study of the tunneling phenomenon in TJs, the main benefit of this SCITM is that it can be easily embedded into drift-diffusion software, which are the most widely-used simulation tools for electronic and opto-electronic devices such as multi-junction solar cells, tunnel field-effect transistors, or vertical-cavity surface-emitting lasers.

Room Temperature Interband Cascade Lasers

DTIC Science & Technology

2010-01-01

interband cascade laser (ICL) [6]-[8] is particularly convenient, since the semimetallic band alignment between InAs and GaSb allows the electrons that...superlattice claddings and a non-ohmic part that may be associated with various band discontinuities in the structure . While the latter can probably be...made a radiative transition to the valence band to be transferred readily back to the conduction band via elastic or nearly elastic processes. Our

Tuning the Electronic and Optical Properties of Two-Dimensional Graphene-like C_2N Nanosheet by Strain Engineering

NASA Astrophysics Data System (ADS)

Phuc, Huynh V.; Tuan, Vu V.; Hieu, Nguyen N.; Ilyasov, Victor V.; Fedorov, Igor A.; Hoi, Bui D.; Phuong, Le T. T.; Hieu, Nguyen V.; Feddi, Elmustapha; Nguyen, Chuong V.

2018-05-01

Using density functional theory, we have studied the structural, electronic and optical properties of two-dimensional graphene-like C_2N nanosheet under in-plane strains. Our results indicate that the C_2N nanosheet is a semiconductor with a direct band gap of 1.70 eV at the equilibrium state opening between the highest valence band and lowest conduction band located at the Γ point. The band gap of the C_2N nanosheet decreases with the increasing of both uniaxial/biaxial strains. In the presence of the strain, we found band shift and band splitting of the occupied and unoccupied energy states of the valence and conduction bands, resulting in a decrease of the band gap. Furthermore, the absorption and reflectance spectra for the C_2N nanosheet have a broad peak around 2.6 eV, where a maximum absorption value is up to 3.2 × 10^{-5} cm^{-1} and reflectance is about 0.27%. Moreover, our calculations also show that the optical properties of the C_2N nanosheets can be controlled by applying the biaxial and uniaxial strains. The obtained results might provide potential applications for the C_2N nanosheets in nanoelectronics and optoelectronics.

A Quasi-Classical Model of the Hubbard Gap in Lightly Compensated Semiconductors

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

Poklonski, N. A.; Vyrko, S. A.; Kovalev, A. I.

2016-03-15

A quasi-classical method for calculating the narrowing of the Hubbard gap between the A{sup 0} and A{sup +} acceptor bands in a hole semiconductor or the D{sup 0} and D{sup –} donor bands in an electron semiconductor is suggested. This narrowing gives rise to the phenomenon of a semiconductor transition from the insulator to metal state with an increase in doping level. The major (doping) impurity can be in one of three charge states (–1, 0, or +1), while the compensating impurity can be in states (+1) or (–1). The impurity distribution over the crystal is assumed to be randommore » and the width of Hubbard bands (levels), to be much smaller than the gap between them. It is shown that narrowing of the Hubbard gap is due to the formation of electrically neutral acceptor (donor) states of the quasicontinuous band of allowed energies for holes (electrons) from excited states. This quasicontinuous band merges with the top of the valence band (v band) for acceptors or with the bottom of the conduction band (c band) for donors. In other words, the top of the v band for a p-type semiconductor or the bottom of the c band for an n-type semiconductor is shifted into the band gap. The value of this shift is determined by the maximum radius of the Bohr orbit of the excited state of an electrically neutral major impurity atom, which is no larger than half the average distance between nearest impurity atoms. As a result of the increasing dopant concentration, the both Hubbard energy levels become shallower and the gap between them narrows. Analytical formulas are derived to describe the thermally activated hopping transition of holes (electrons) between Hubbard bands. The calculated gap narrowing with increasing doping level, which manifests itself in a reduction in the activation energy ε{sub 2} is consistent with available experimental data for lightly compensated p-Si crystals doped with boron and n-Ge crystals doped with antimony.« less

Sea Ice Detection Based on an Improved Similarity Measurement Method Using Hyperspectral Data.

PubMed

Han, Yanling; Li, Jue; Zhang, Yun; Hong, Zhonghua; Wang, Jing

2017-05-15

Hyperspectral remote sensing technology can acquire nearly continuous spectrum information and rich sea ice image information, thus providing an important means of sea ice detection. However, the correlation and redundancy among hyperspectral bands reduce the accuracy of traditional sea ice detection methods. Based on the spectral characteristics of sea ice, this study presents an improved similarity measurement method based on linear prediction (ISMLP) to detect sea ice. First, the first original band with a large amount of information is determined based on mutual information theory. Subsequently, a second original band with the least similarity is chosen by the spectral correlation measuring method. Finally, subsequent bands are selected through the linear prediction method, and a support vector machine classifier model is applied to classify sea ice. In experiments performed on images of Baffin Bay and Bohai Bay, comparative analyses were conducted to compare the proposed method and traditional sea ice detection methods. Our proposed ISMLP method achieved the highest classification accuracies (91.18% and 94.22%) in both experiments. From these results the ISMLP method exhibits better performance overall than other methods and can be effectively applied to hyperspectral sea ice detection.

Dielectric function, critical points, and Rydberg exciton series of WSe2 monolayer.

PubMed

Diware, M S; Ganorkar, S P; Park, K; Chegal, W; Cho, H M; Cho, Y J; Kim, Y D; Kim, H

2018-06-13

The complex dielectric function ([Formula: see text]) of WSe 2 monolayer grown by atomic layer deposition is investigated using spectroscopic ellipsometry. Band structure parameters are obtained by standard line-shape analysis of the second-energy-derivative of [Formula: see text] spectra. The fundamental band gap is observed at 2.26 eV, corresponds to transition between valence band (VB) maximum at the K point and conduction band (CB) minimum at Q point in the Brillouin zone (BZ). Two strong so-called A and B excitonic peaks in [Formula: see text] spectra originate from vertical transitions from spin-orbit split (0.43 eV) VB to CB at K point of the BZ. Binding energies of A and B exactions are 0.71 and 0.28 eV, respectively. Well resolved five excited excitons states has been detected within the spectral region between A and B. Energy profile of the Rydberg series shows significant deviation from the hydrogenic behavior, discussed in connection with the 2D hydrogen model. Results presented here will improve our understanding about the optical response of 2D materials and will help to design better optoelectronic applications and validate theoretical considerations.

Dielectric function, critical points, and Rydberg exciton series of WSe2 monolayer

NASA Astrophysics Data System (ADS)

Diware, M. S.; Ganorkar, S. P.; Park, K.; Chegal, W.; Cho, H. M.; Cho, Y. J.; Kim, Y. D.; Kim, H.

2018-06-01

The complex dielectric function () of WSe2 monolayer grown by atomic layer deposition is investigated using spectroscopic ellipsometry. Band structure parameters are obtained by standard line-shape analysis of the second-energy-derivative of spectra. The fundamental band gap is observed at 2.26 eV, corresponds to transition between valence band (VB) maximum at the K point and conduction band (CB) minimum at Q point in the Brillouin zone (BZ). Two strong so-called A and B excitonic peaks in spectra originate from vertical transitions from spin–orbit split (0.43 eV) VB to CB at K point of the BZ. Binding energies of A and B exactions are 0.71 and 0.28 eV, respectively. Well resolved five excited excitons states has been detected within the spectral region between A and B. Energy profile of the Rydberg series shows significant deviation from the hydrogenic behavior, discussed in connection with the 2D hydrogen model. Results presented here will improve our understanding about the optical response of 2D materials and will help to design better optoelectronic applications and validate theoretical considerations.

Sea Ice Detection Based on an Improved Similarity Measurement Method Using Hyperspectral Data

PubMed Central

Han, Yanling; Li, Jue; Zhang, Yun; Hong, Zhonghua; Wang, Jing

2017-01-01

Hyperspectral remote sensing technology can acquire nearly continuous spectrum information and rich sea ice image information, thus providing an important means of sea ice detection. However, the correlation and redundancy among hyperspectral bands reduce the accuracy of traditional sea ice detection methods. Based on the spectral characteristics of sea ice, this study presents an improved similarity measurement method based on linear prediction (ISMLP) to detect sea ice. First, the first original band with a large amount of information is determined based on mutual information theory. Subsequently, a second original band with the least similarity is chosen by the spectral correlation measuring method. Finally, subsequent bands are selected through the linear prediction method, and a support vector machine classifier model is applied to classify sea ice. In experiments performed on images of Baffin Bay and Bohai Bay, comparative analyses were conducted to compare the proposed method and traditional sea ice detection methods. Our proposed ISMLP method achieved the highest classification accuracies (91.18% and 94.22%) in both experiments. From these results the ISMLP method exhibits better performance overall than other methods and can be effectively applied to hyperspectral sea ice detection. PMID:28505135

Band structure and spin texture of Bi2Se3 3 d ferromagnetic metal interface

NASA Astrophysics Data System (ADS)

Zhang, Jia; Velev, Julian P.; Dang, Xiaoqian; Tsymbal, Evgeny Y.

2016-07-01

The spin-helical surface states in a three-dimensional topological insulator (TI), such as Bi2Se3 , are predicted to have superior efficiency in converting charge current into spin polarization. This property is said to be responsible for the giant spin-orbit torques observed in ferromagnetic metal/TI structures. In this work, using first-principles and model tight-binding calculations, we investigate the interface between the topological insulator Bi2Se3 and 3 d -transition ferromagnetic metals Ni and Co. We find that the difference in the work functions of the topological insulator and the ferromagnetic metals shift the topological surface states down about 0.5 eV below the Fermi energy where the hybridization of these surface states with the metal bands destroys their helical spin structure. The band alignment of Bi2Se3 and Ni (Co) places the Fermi energy far in the conduction band of bulk Bi2Se3 , where the spin of the carriers is aligned with the magnetization in the metal. Our results indicate that the topological surface states are unlikely to be responsible for the huge spin-orbit torque effect observed experimentally in these systems.

LANDSAT-4/5 image data quality analysis

NASA Technical Reports Server (NTRS)

Malaret, E.; Bartolucci, L. A.; Lozano, D. F.; Anuta, P. E.; Mcgillem, C. D.

1984-01-01

A LANDSAT Thematic Mapper (TM) quality evaluation study was conducted to identify geometric and radiometric sensor errors in the post-launch environment. The study began with the launch of LANDSAT-4. Several error conditions were found, including band-to-band misregistration and detector-to detector radiometric calibration errors. Similar analysis was made for the LANDSAT-5 Thematic Mapper and compared with results for LANDSAT-4. Remaining band-to-band misregistration was found to be within tolerances and detector-to-detector calibration errors were not severe. More coherent noise signals were observed in TM-5 than in TM-4, although the amplitude was generally less. The scan direction differences observed in TM-4 were still evident in TM-5. The largest effect was in Band 4 where nearly a one digital count difference was observed. Resolution estimation was carried out using roads in TM-5 for the primary focal plane bands rather than field edges as in TM-4. Estimates using roads gave better resolution. Thermal IR band calibration studies were conducted and new nonlinear calibration procedures were defined for TM-5. The overall conclusion is that there are no first order errors in TM-5 and any remaining problems are second or third order.

Classical and numerical approaches to determining V-section band clamp axial stiffness

NASA Astrophysics Data System (ADS)

Barrans, Simon M.; Khodabakhshi, Goodarz; Muller, Matthias

2015-01-01

V-band clamp joints are used in a wide range of applications to connect circular flanges, for ducts, pipes and the turbocharger housing. Previous studies and research on V-bands are either purely empirical or analytical with limited applicability on the variety of V-band design and working conditions. In this paper models of the V-band are developed based on the classical theory of solid mechanics and the finite element method to study the behaviour of theV-bands under axial loading conditions. The good agreement between results from the developed FEA and the classical model support the suitability of the latter to modelV-band joints with diameters greater than 110mm under axial loading. The results from both models suggest that the axial stiffness for thisV-band cross section reaches a peak value for V-bands with radius of approximately 150 mmacross a wide range of coefficients of friction. Also, it is shown that the coefficient of friction and the wedge angle have a significant effect on the axial stiffness of V-bands.

Computational Design of Flat-Band Material.

PubMed

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.

The electronic structure of lithium metagallate.

PubMed

Johnson, N W; McLeod, J A; Moewes, A

2011-11-09

Herein we present a study of the electronic structure of lithium metagallate (LiGaO(2)), a material of interest in the field of optoelectronics. We use soft x-ray spectroscopy to probe the electronic structure of both the valence and conduction bands and compare our measurements to ab initio density functional theory calculations. We use several different exchange-correlation functionals, but find that no single theoretical approach used herein accurately quantifies both the band gap and the Ga 3d(10) states in LiGaO(2). We derive a band gap of 5.6 eV, and characterize electron hybridization in both the valence and conduction bands. Our study of the x-ray spectra may prove useful in analysing spectra from more complicated LiGaO(2) heterostructures. © 2011 IOP Publishing Ltd

Quantum-confinement effects on conduction band structure of rectangular cross-sectional GaAs nanowires

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

Tanaka, H., E-mail: tanaka@semicon.kuee.kyoto-u.ac.jp; Morioka, N.; Mori, S.

2014-02-07

The conduction band structure and electron effective mass of GaAs nanowires with various cross-sectional shapes and orientations were calculated by two methods, a tight-binding method and an effective mass equation taking the bulk full-band structure into account. The effective mass of nanowires increases as the cross-sectional size decreases, and this increase in effective mass depends on the orientations and substrate faces of nanowires. Among [001], [110], and [111]-oriented rectangular cross-sectional GaAs nanowires, [110]-oriented nanowires with wider width along the [001] direction showed the lightest effective mass. This dependence originates from the anisotropy of the Γ valley of bulk GaAs. Themore » relationship between effective mass and bulk band structure is discussed.« less

Rapid assessment and mapping of tree cover in southern African savanna woodlands using a new iPhone App and Landsat 8 imagery

NASA Astrophysics Data System (ADS)

Fuller, D. O.

2016-12-01

Tree cover is a key parameter in climate modeling. It strongly influences CO2 exchanges between the land surface and atmosphere and surface energy balance. We measured percent woody canopy cover (PWCC) in the savanna woodlands of eastern Zambia over a 10-day period in May 2016 using a new iPhone App (CanopyApp) and related these field measurements to Landsat 8 (L8) Band 4 (red) imagery acquired approximately the same time. We then used parameters from the band 4 digital numbers (DNs)-PWCC linear regression to derive a new map of PWCC for the entire L8 scene. Consistent with theory and previous empirical studies, we found that the relationship between L8 band 4 DNs- PWCC was negative and linear (r2 = 0.61, p < 0.05). Interestingly, the relationship between PWCC and L8 band 4 surface reflectance was weaker (r2 = 0.46, p < 0.05) than that for DNs. This suggests that the scene model used in L8 atmospheric correction may not account well for within-pixel shadowing effects and other spatial inhomogeneities from variable soil and background reflectance. Our PWCC map agreed qualitatively with similar percent tree-cover maps based on Landsat level 1 products and past field studies in the area conducted using a hemispherical lens. Our results also compared favorably with other remote sensing studies that have used complex multivariate approaches to estimate tree cover, which suggests that use of a single L8 band 4 is sufficient to estimate PWCC when spectral contrast exists between the grass, soil and tree layers during the austral fall period in southern African savannas.

Latitudinal Variations In Vertical Cloud Structure Of Jupiter As Determined By Ground- based Observation With Multispectral Imaging

NASA Astrophysics Data System (ADS)

Sato, T.; Kasaba, Y.; Takahashi, Y.; Murata, I.; Uno, T.; Tokimasa, N.; Sakamoto, M.

2008-12-01

We conducted ground-based observation of Jupiter with the liquid crystal tunable filter (LCTF) and EM-CCD camera in two methane absorption bands (700-757nm, 872-950nm at 3 nm step: total of 47 wavelengths) to derive detailed Jupiter's vertical cloud structure. The 2-meter reflector telescope at Nishi-Harima astronomical observatory in Japan was used for our observation on 26-30 May, 2008. After a series of image processing (composition of high quality images in each wavelength and geometry calibration), we converted observed intensity to absolute reflectivity at each pixel using standard star. As a result, we acquired Jupiter's data cubes with high-spatial resolution (about 1") and narrow band imaging (typically 7nm) in each methane absorption band by superimposing 30 Jupiter's images obtained in short exposure time (50 ms per one image). These data sets enable us to probe different altitudes of Jupiter from 100 mbar down to 1bar level with higher vertical resolution than using convectional interference filters. To interpret observed center-limb profiles, we developed radiative transfer code based on layer adding doubling algorithm to treat multiple scattering of solar light theoretically and extracted information on aerosol altitudes and optical properties using two-cloud model. First, we fit 5 different profiles simultaneously in continuum data (745-757 nm) to retrieve information on optical thickness of haze and single scattering albedo of cloud. Second, we fit 15 different profiles around 727nm methane absorption band and 13 different profiles around 890 nm methane absorption band to retrieve information on the aerosol altitude location and optical thickness of cloud. In this presentation, we present the results of these modeling simulations and discuss the latitudinal variations of Jupiter's vertical cloud structure.

Ka-band propagation studies using the ACTS propagation terminal and the CSU-CHILL multiparameter, Doppler radar

NASA Technical Reports Server (NTRS)

Beaver, J.; Turk, J.; Bringi, V. N.

1995-01-01

An increase in the demand for satellite communications has led to an overcrowding of the current spectrums being used - mainly at C and Ku bands. To alleviate this overcrowding, new technology is being developed to open up the Ka-band for communications use. One of the first experimental communications satellites using this technology is NASA's Advanced Communications Technology Satellite (ACTS). In Sept. 1993, ACTS was deployed into a geostationary orbit near 100 deg W longitude. The ACTS system employs two Ka-band beacons for propagation experiments, one at 20.185 GHz and another at 27.505 GHz. Attenuation due to rain and tropospheric scintillations will adversely affect new technologies proposed for this spectrum. Therefore, before being used commercially, propagation effects at Ka-band must be studied. Colorado State University is one of eight sites across the United States and Canada conducting propagations studies; each site is equipped with the ACTS propagation terminal (APT). With each site located in a different climatic zone, the main objective of the propagation experiment is to obtain monthly and yearly attenuation statistics. Each site also has secondary objectives that are site dependent. At CSU, the CSU-CHILL radar facility is being used to obtain polarimetric radar data along the ACTS propagation path. During the expected two to four year period of the project, it is hoped to study several significant weather events. The S-band radar will be used to obtain Ka-band attenuation estimates and to initialize propagation models that have been developed, to help classify propagation events measured by the APT. Preliminary attenuation estimates for two attenuation events will be shown here - a bright band case that occurred on 13 May 1994 and a convective case that occurred on 20 Jun. 1994. The computations used to obtain Ka-band attenuation estimates from S-band radar data are detailed. Results from the two events are shown.

First-principle simulations of electronic structure in semicrystalline polyethylene

NASA Astrophysics Data System (ADS)

Moyassari, A.; Unge, M.; Hedenqvist, M. S.; Gedde, U. W.; Nilsson, F.

2017-05-01

In order to increase our fundamental knowledge about high-voltage cable insulation materials, realistic polyethylene (PE) structures, generated with a novel molecular modeling strategy, have been analyzed using first principle electronic structure simulations. The PE structures were constructed by first generating atomistic PE configurations with an off-lattice Monte Carlo method and then equilibrating the structures at the desired temperature and pressure using molecular dynamics simulations. Semicrystalline, fully crystalline and fully amorphous PE, in some cases including crosslinks and short-chain branches, were analyzed. The modeled PE had a structure in agreement with established experimental data. Linear-scaling density functional theory (LS-DFT) was used to examine the electronic structure (e.g., spatial distribution of molecular orbitals, bandgaps and mobility edges) on all the materials, whereas conventional DFT was used to validate the LS-DFT results on small systems. When hybrid functionals were used, the simulated bandgaps were close to the experimental values. The localization of valence and conduction band states was demonstrated. The localized states in the conduction band were primarily found in the free volume (result of gauche conformations) present in the amorphous regions. For branched and crosslinked structures, the localized electronic states closest to the valence band edge were positioned at branches and crosslinks, respectively. At 0 K, the activation energy for transport was lower for holes than for electrons. However, at room temperature, the effective activation energy was very low (˜0.1 eV) for both holes and electrons, which indicates that the mobility will be relatively high even below the mobility edges and suggests that charge carriers can be hot carriers above the mobility edges in the presence of a high electrical field.

NASA Astrophysics Data System (ADS)

2018-05-01

The conduction band electron effective mass under strain is represented by me∗ and valence band heavy hole effective mass is given as mhh∗ =m0 /(γ1 - 2γ2) , where γ1 and γ2 are the Luttinger parameters and m0 is the electron rest mass. All the band parameters used for our simulation are listed in Table 1.

Effects of B site doping on electronic structures of InNbO4 based on hybrid density functional calculations

NASA Astrophysics Data System (ADS)

Lu, M. F.; Zhou, C. P.; Li, Q. Q.; Zhang, C. L.; Shi, H. F.

2018-01-01

In order to improve the photocatalytic activity under visible-light irradiation, we adopted first principle calculations based on density functional theory (DFT) to calculate the electronic structures of B site transition metal element doped InNbO4. The results indicated that the complete hybridization of Nb 4d states and some Ti 3d states contributed to the new conduction band of Ti doped InNbO4, barely changing the position of band edge. For Cr doping, some localized Cr 3d states were introduced into the band gap. Nonetheless, the potential of localized levels was too positive to cause visible-light reaction. When it came to Cu doping, the band gap was almost same with that of InNbO4 as well as some localized Cu 3d states appeared above the top of VB. The introduction of localized energy levels benefited electrons to migrate from valence band (VB) to conduction band (CB) by absorbing lower energy photons, realizing visible-light response.

High-order harmonic generation from a two-dimensional band structure

NASA Astrophysics Data System (ADS)

Jin, Jian-Zhao; Xiao, Xiang-Ru; Liang, Hao; Wang, Mu-Xue; Chen, Si-Ge; Gong, Qihuang; Peng, Liang-You

2018-04-01

In the past few years, harmonic generation in solids has attracted tremendous attention. Recently, some experiments of two-dimensional (2D) monolayer or few-layer materials have been carried out. These studies demonstrated that harmonic generation in the 2D case shows a strong dependence on the laser's orientation and ellipticity, which calls for a quantitative theoretical interpretation. In this work, we carry out a systematic study on the harmonic generation from a 2D band structure based on a numerical solution to the time-dependent Schrödinger equation. By comparing with the 1D case, we find that the generation dynamics can have a significant difference due to the existence of many crossing points in the 2D band structure. In particular, the higher conduction bands can be excited step by step via these crossing points and the total contribution of the harmonic is given by the mixing of transitions between different clusters of conduction bands to the valence band. We also present the orientation dependence of the harmonic yield on the laser polarization direction.

Band alignments at Ga2O3 heterojunction interfaces with Si and Ge

NASA Astrophysics Data System (ADS)

Gibbon, J. T.; Jones, L.; Roberts, J. W.; Althobaiti, M.; Chalker, P. R.; Mitrovic, Ivona Z.; Dhanak, V. R.

2018-06-01

Amorphous Ga2O3 thin films were deposited on p-type (111) and (100) surfaces of silicon and (100) germanium by atomic layer deposition (ALD). X-ray photoelectron spectroscopy (XPS) was used to investigate the band alignments at the interfaces using the Kraut Method. The valence band offsets were determined to be 3.49± 0.08 eV and 3.47± 0.08 eV with Si(111) and Si(100) respectively and 3.51eV± 0.08 eV with Ge(100). Inverse photoemission spectroscopy (IPES) was used to investigate the conduction band of a thick Ga2O3 film and the band gap of the film was determined to be 4.63±0.14 eV. The conduction band offsets were found to be 0.03 eV and 0.05eV with Si(111) and Si(100) respectively, and 0.45eV with Ge(100). The results indicate that the heterojunctions of Ga2O3 with Si(100), Si(111) and Ge(100) are all type I heterojunctions.

Band structure of the quasi two-dimensional purple molybdenum bronze

NASA Astrophysics Data System (ADS)

Guyot, H.; Balaska, H.; Perrier, P.; Marcus, J.

2006-09-01

The molybdenum purple bronze KMo 6O 17 is quasi two-dimensional (2D) metallic oxide that shows a Peierls transition towards a metallic charge density wave state. Since this specific transition is directly related to the electron properties of the normal state, we have investigated the electronic structure of this bronze at room temperature. The shape of the Mo K1s absorption edge reveals the presence of distorted MoO 6 octahedra in the crystallographic structure. Photoemission experiments evidence a large conduction band, with a bandwidth of 800 meV and confirm the metallic character of this bronze. A wide depleted zone separates the conduction band from the valence band that exhibits a fourfold structure, directly connected to the octahedral symmetry of the Mo sites. The band structure is determined by ARUPS in two main directions of the (0 0 1) Brillouin zone. It exhibits some unpredicted features but corroborates the earlier theoretical band structure and Fermi surface. It confirms the hidden one-dimensionality of KMo 6O 17 that has been proposed to explain the origin of the Peierls transition in this 2D compound.

Optoelectronic properties analysis of Ti-substituted GaP.

PubMed

Tablero, C

2005-11-08

A study using first principles of the electronic and optical properties of materials derived from a GaP host semiconductor where one Ti atom is substituted for one of the eight P atoms is presented. This material has a metallic intermediate band sandwiched between the valence and conduction bands of the host semiconductor for 0 < or = U < or = 8 eV where U is the Hubbard parameter. The potential of these materials is that when they are used as an absorber of photons in solar cells, the efficiency is increased significantly with respect to that of the host semiconductor. The results show that the main contribution to the intermediate band is the Ti atom and that this material can absorb photons of lower energy than that of the host semiconductor. The efficiency is increased with respect to that of the host semiconductor mainly because of the absorption from the intermediate to conduction band. As U increases, the contribution of the Ti-d orbitals to the intermediate band varies, increasing the d(z2) character at the bottom of the intermediate band.

A Green's function formulation of the k→ ·p→ theory in the presence of spin-orbit interaction and magnetic field: Application to the electronic structure and related properties of w-GaN

NASA Astrophysics Data System (ADS)

Shadangi, Subrat K.; Mishra, Sambit R.; Tripathi, Gouri S.

2018-01-01

We use a Green's function perturbation formalism in the presence of an applied magnetic field and spin-orbit effects in the effective mass representation (EMR). The lack of lattice translational symmetry of the vector potential in the presence of the magnetic field is considered by redefining the Green's function in terms of the Peierls' phase factor. The equation of motion of the Green's function as a function of a magnetic wave vector was solved using perturbation theory, leading to expressions for the effective mass and the g-factor. We study the electronic structure of wurtzite GaN theoretically using the resulting k→ ·π→ method, where k→ is the electronic wave vector and π→ is the relativistic momentum operator by considering the conduction band edge and three valence bands. The k→ ·π→ Hamiltonians for the conduction band edge and the valence bands are diagonalized, considering the conduction band and one valence band at a time. We obtain electron and hole dispersions. Effects of other bands are considered by using perturbation theory. Resulting dispersions agree with the results of other calculations. In order to study the effective mass and the g-factor, we use the eigenvalues and eigenfunctions obtained after the diagonalization. Our results for the effective masses and the g-factors agree fairly well with available theoretical and experimental results, Temperature dependence of both the electronic effective mass and g-factor is studied and trends obtained agree with the existing experimental data.

Study of surface and bulk electronic structure of II-VI semiconductor nanocrystals using Cu as a nanosensor.

PubMed

Grandhi, G Krishnamurthy; Tomar, Renu; Viswanatha, Ranjani

2012-11-27

Efficiency of the quantum dots based solar cells relies on charge transfer at the interface and hence on the relative alignment of the energy levels between materials. Despite a high demand to obtain size specific band offsets, very few studies exist where meticulous methods like photoelectron spectroscopy are used. However, semiconductor charging during measurements could result in indirect and possibly inaccurate measurements due to shift in valence and conduction band position. Here, in this report, we devise a novel method to study the band offsets by associating an atomic like state with the conduction band and hence obtaining an internal standard. This is achieved by doping copper in semiconductor nanocrystals, leading to the development of a characteristic intragap Cu-related emission feature assigned to the transition from the conduction band to the atomic-like Cu d state. Using this transition we determine the relative band alignment of II-VI semiconductor nanocrystals as a function of size in the below 10 nm size regime. The results are in excellent agreement with the available photoelectron spectroscopy data as well as the theoretical data. We further use this technique to study the excitonic band edge variation as a function of temperature in CdSe nanocrystals. Additionally, surface electronic structure of CdSe nanocrystals have been studied using quantitative measurements of absolute quantum yield and PL decay studies of the Cu related emission and the excitonic emission. The role of TOP and oleic acid as surface passivating ligand molecules has been studied for the first time.

Superconductivity versus bound-state formation in a two-band superconductor with small Fermi energy: Applications to Fe pnictides/chalcogenides and doped SrTiO3

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 Fe pnictides and Fe chalcogenides in which a superconducting gap has been detected on the bands that do not cross the Fermi level, and to FeSe, in which the superconducting gap is comparable to the Fermi energy. We apply the results for the model with two electron bands to Nb-doped SrTiO3 and argue that our theory explains the rapid increase of Tc when both bands start crossing the Fermi level.

Effect of the LHCII pigment-protein complex aggregation on photovoltaic properties of sensitized TiO2 solar cells.

PubMed

Yang, Yiqun; Jankowiak, Ryszard; Lin, Chen; Pawlak, Krzysztof; Reus, Michael; Holzwarth, Alfred R; Li, Jun

2014-10-14

A modified dye-sensitized solar cell consisting of a thin TiO2 barrier layer sensitized with natural trimeric light-harvesting complex II (LHCII) from spinach was used as a biomimetic model to study the effects of LHCII aggregation on the photovoltaic properties. The aggregation of individual trimers induced molecular reorganization, which dramatically increased the photocurrent. The morphology of small- and large-size LHCII aggregates deposited on a surface was confirmed by atomic force microscopy. Enhanced LHCII immobilization was accomplished via electrostatic interaction with amine-functionalized photoanodes. The photocurrent responses of the assembled solar cells under illumination at three characteristic wavelength bands in the UV-Vis absorption spectra of LHCII solutions confirmed that a significant photocurrent was generated by LHCII photosensitizers. The enhanced photocurrent by large aggregated LHCII is shown to correlate with the quenching in the far-red fluorescence deriving from chlorophyll-chlorophyll charge transfer states that are effectively coupled with the TiO2 surface and thus inject electrons into the TiO2 conduction band. The large aggregated LHCII with more chlorophyll-chlorophyll charge transfer states is a much better sensitizer since it injects electrons more efficiently into the conduction band of TiO2 than the small aggregated LHCII mostly consisting of unquenched chlorophyll excited state. The assembled solar cells demonstrated remarkable stability in both aqueous buffer and acetonitrile electrolytes over 30 days.

Optical signatures of spin-orbit exciton in bandwidth-controlled S r2Ir O4 epitaxial films via high-concentration Ca and Ba doping

NASA Astrophysics Data System (ADS)

Souri, M.; Kim, B. H.; Gruenewald, J. H.; Connell, J. G.; Thompson, J.; Nichols, J.; Terzic, J.; Min, B. I.; Cao, G.; Brill, J. W.; Seo, A.

2017-06-01

We have investigated the electronic and optical properties of (Sr1-xC ax ) 2Ir O4 (x = 0 -0.375 ) and (Sr1-yB ay ) 2Ir O4 (y = 0 -0.375 ) epitaxial thin films, in which the bandwidth is systematically tuned via chemical substitutions of Sr ions by Ca and Ba. Transport measurements indicate that the thin-film series exhibits insulating behavior, similar to the Jeff=1 /2 spin-orbit Mott insulator S r2Ir O4 . As the average A-site ionic radius increases from (Sr1-xC ax ) 2Ir O4 to (Sr1-yB ay ) 2Ir O4 , optical conductivity spectra in the near-infrared region shift to lower energies, which cannot be explained by the simple picture of well-separated Jeff=1 /2 and Jeff=3 /2 bands. We suggest that the two-peak-like optical conductivity spectra of the layered iridates originates from the overlap between the optically forbidden spin-orbit exciton and the intersite optical transitions within the Jeff=1 /2 band. Our experimental results are consistent with this interpretation as implemented by a multiorbital Hubbard model calculation: namely, incorporating a strong Fano-like coupling between the spin-orbit exciton and intersite d -d transitions within the Jeff=1 /2 band.

Radiative interactions in chemically reacting compressible nozzle flows using Monte Carlo simulations

NASA Technical Reports Server (NTRS)

Liu, J.; Tiwari, Surendra N.

1994-01-01

The two-dimensional spatially elliptic Navier-Stokes equations have been used to investigate the radiative interactions in chemically reacting compressible flows of premixed hydrogen and air in an expanding nozzle. The radiative heat transfer term in the energy equation is simulated using the Monte Carlo method (MCM). The nongray model employed is based on the statistical narrow band model with an exponential-tailed inverse intensity distribution. The spectral correlation has been considered in the Monte Carlo formulations. Results obtained demonstrate that the effect of radiation on the flow field is minimal but its effect on the wall heat transfer is significant. Extensive parametric studies are conducted to investigate the effects of equivalence ratio, wall temperature, inlet flow temperature, and the nozzle size on the radiative and conductive wall fluxes.

Simulation of cortico-basal ganglia oscillations and their suppression by closed loop deep brain stimulation.

PubMed

Grant, Peadar F; Lowery, Madeleine M

2013-07-01

A new model of deep brain stimulation (DBS) is presented that integrates volume conduction effects with a neural model of pathological beta-band oscillations in the cortico-basal ganglia network. The model is used to test the clinical hypothesis that closed-loop control of the amplitude of DBS may be possible, based on the average rectified value of beta-band oscillations in the local field potential. Simulation of closed-loop high-frequency DBS was shown to yield energy savings, with the magnitude of the energy saved dependent on the strength of coupling between the subthalamic nucleus and the remainder of the cortico-basal ganglia network. When closed-loop DBS was applied to a strongly coupled cortico-basal ganglia network, the stimulation energy delivered over a 480 s period was reduced by up to 42%. Greater energy reductions were observed for weakly coupled networks, as the stimulation amplitude reduced to zero once the initial desynchronization had occurred. The results provide support for the application of closed-loop high-frequency DBS based on electrophysiological biomarkers.

Tuning transport properties on graphene multiterminal structures by mechanical deformations

NASA Astrophysics Data System (ADS)

Latge, Andrea; Torres, Vanessa; Faria, Daiara

The realization of mechanical strain on graphene structures is viewed as a promise route to tune electronic and transport properties such as changing energy band-gaps and promoting localization of states. Using continuum models, mechanical deformations are described by effective gauge fields, mirrored as pseudomagnetic fields that may reach quite high values. Interesting symmetry features are developed due to out of plane deformations on graphene; lift sublattice symmetry was predicted and observed in centrosymmetric bumps and strained nanobubbles. Here we discuss the effects of Gaussian-like strain on a hexagonal graphene flake connected to three leads, modeled as perfect graphene nanoribbons. The Green function formalism is used within a tight-binding approximation. For this particular deformation sharp resonant states are achieved depending on the strained structure details. We also study a fold-strained structure in which the three leads are deformed extending up to the very center of the hexagonal flake. We show that conductance suppressions can be controlled by the strain intensity and important transport features are modeled by the electronic band structure of the leads.

A general methodology for maximum likelihood inference from band-recovery data

USGS Publications Warehouse

Conroy, M.J.; Williams, B.K.

1984-01-01

A numerical procedure is described for obtaining maximum likelihood estimates and associated maximum likelihood inference from band- recovery data. The method is used to illustrate previously developed one-age-class band-recovery models, and is extended to new models, including the analysis with a covariate for survival rates and variable-time-period recovery models. Extensions to R-age-class band- recovery, mark-recapture models, and twice-yearly marking are discussed. A FORTRAN program provides computations for these models.

Theory of the Quantized Hall Conductance in Periodic Systems: a Topological Analysis.

NASA Astrophysics Data System (ADS)

Czerwinski, Michael Joseph

The integral quantization of the Hall conductance in two-dimensional periodic systems is investigated from a topological point of view. Attention is focused on the contributions from the electronic sub-bands which arise from perturbed Landau levels. After reviewing the theoretical work leading to the identification of the Hall conductance as a topological quantum number, both a determination and interpretation of these quantized values for the sub-band conductances is made. It is shown that the Hall conductance of each sub-band can be regarded as the sum of two terms which will be referred to as classical and nonclassical. Although each of these contributions individually leads to a fractional conductance, the sum of these two contributions does indeed yield an integer. These integral conductances are found to be given by the solution of a simple Diophantine equation which depends on the periodic perturbation. A connection between the quantized value of the Hall conductance and the covering of real space by the zeroes of the sub-band wavefunctions allows for a determination of these conductances under more general potentials. A method is described for obtaining the conductance values from only those states bordering the Brillouin zone, and not the states in its interior. This method is demonstrated to give Hall conductances in agreement with those obtained from the Diophantine equation for the sinusoidal potential case explored earlier. Generalizing a simple gauge invariance argument from real space to k-space, a k-space 'vector potential' is introduced. This allows for a explicit identification of the Hall conductance with the phase winding number of the sub-band wavefunction around the Brillouin zone. The previously described division of the Hall conductance into classical and nonclassical contributions is in this way made more rigorous; based on periodicity considerations alone, these terms are identified as the winding numbers associated with (i) the basis states and (ii) the coefficients of these basis states, respectively. In this way a general Diophantine equation, independent of the periodic potential, is obtained. Finally, the use of the 'parallel transport' of state vectors in the determination of an overall phase convention for these states is described. This is seen to lead to a simple and straightforward method for determining the Hall conductance. This method is based on the states directly, without reference to the particular component wavefunctions of these states. Mention is made of the generality of calculations of this type, within the context of the geometric (or Berry) phases acquired by systems under an adiabatic modification of their environment.

Electrons and phonons in layered and monolayer vanadium pentoxide

NASA Astrophysics Data System (ADS)

Lambrecht, Walter R. L.

Vanadium pentoxide (V2O5) is a layered material with the potential for interesting new properties when made in 2D mono- or few-layer form. Its band structure is characterized by a split-off conduction band. The lowest conduction band is separated from the rest of the conduction bands by about 1 eV and consists of V-dxy orbitals, non-bonding to the oxygens by symmetry. This narrow band has dispersion essentially along the direction of chains occurring in the layer. When this band becomes half-filled by doping, spin-splitting occurs accompanied by an antiferromagnetic coupling between nearest neighbors along the chain direction. This situation is well known to occur in the so-called ladder compound NaV2O5 , which was extensively studied in the late 90s as a potential spin-Peierls or charge ordering compound. However, the monolayer form of V2O5 may allow for other ways to control the doping by gating, removing vanadyl oxygens, adsorption of alkali metals, nanoribbon formation, etc. Our calculations predict a switch from antiferromagnetic to ferromagnetic coupling for doping slightly less than half filling of the split-off band. In this talk we will discuss our recent work on the electronic band structure of both bulk and monolayer V2O5 as well as the phonons. We find that the quasi-particle self-consistent GW method strongly overestimates the band gap. Lattice polarization corrections of the screening are required because of the large LO/TO phonon frequency ratios. Excitonic effects may also be expected to be fairly large. We find that some of the vibrational modes, notably the vanadyl-oxygen bond stretch perpendicular to the layer, unexpectedly shows a strong blue shift. This is explained in terms of reduced screening affecting the long-range dipole components of the force constants. Supported by AFOSR and DOE. Work done with Churna Bhandari, Mark van Schilfgaarde and Andre Schleiffe.

Interplay of Coulomb interactions and disorder in three-dimensional quadratic band crossings without time-reversal symmetry and with unequal masses for conduction and valence bands

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.

Vibration band gaps for elastic metamaterial rods using wave finite element method

NASA Astrophysics Data System (ADS)

Nobrega, E. D.; Gautier, F.; Pelat, A.; Dos Santos, J. M. C.

2016-10-01

Band gaps in elastic metamaterial rods with spatial periodic distribution and periodically attached local resonators are investigated. New techniques to analyze metamaterial systems are using a combination of analytical or numerical method with wave propagation. One of them, called here wave spectral element method (WSEM), consists of combining the spectral element method (SEM) with Floquet-Bloch's theorem. A modern methodology called wave finite element method (WFEM), developed to calculate dynamic behavior in periodic acoustic and structural systems, utilizes a similar approach where SEM is substituted by the conventional finite element method (FEM). In this paper, it is proposed to use WFEM to calculate band gaps in elastic metamaterial rods with spatial periodic distribution and periodically attached local resonators of multi-degree-of-freedom (M-DOF). Simulated examples with band gaps generated by Bragg scattering and local resonators are calculated by WFEM and verified with WSEM, which is used as a reference method. Results are presented in the form of attenuation constant, vibration transmittance and frequency response function (FRF). For all cases, WFEM and WSEM results are in agreement, provided that the number of elements used in WFEM is sufficient to convergence. An experimental test was conducted with a real elastic metamaterial rod, manufactured with plastic in a 3D printer, without local resonance-type effect. The experimental results for the metamaterial rod with band gaps generated by Bragg scattering are compared with the simulated ones. Both numerical methods (WSEM and WFEM) can localize the band gap position and width very close to the experimental results. A hybrid approach combining WFEM with the commercial finite element software ANSYS is proposed to model complex metamaterial systems. Two examples illustrating its efficiency and accuracy to model an elastic metamaterial rod unit-cell using 1D simple rod element and 3D solid element are demonstrated and the results present good approximation to the experimental data.

Are faults preferential flow paths through semiarid and arid vadose zones?

NASA Astrophysics Data System (ADS)

Sigda, John M.; Wilson, John L.

2003-08-01

Numerous faults crosscut the poorly lithified, basin-fill sands found in New Mexico's Rio Grande rift and in other extensional regimes. The deformational processes that created these faults sharply reduced both fault porosity and fault saturated hydraulic conductivity by altering grains and pores, particularly in structures referred to as deformation bands. The resulting pore distribution changes, which create barriers to saturated flow, should enhance fault unsaturated flow relative to parent sand under the relatively dry conditions of the semiarid southwest. We report the first measurements of unsaturated hydraulic properties for undisturbed fault materials, using samples from a small-displacement normal fault and parent sands in the Bosque del Apache Wildlife Refuge, central New Mexico. Fault samples were taken from a narrow zone of deformation bands. The unsaturated flow apparatus (UFA) centrifuge system was used to measure both relative permeability and moisture retention curves. We compared these relations and fitted hydraulic conductivity-matric potential models to test whether the fault has significantly different unsaturated hydraulic properties than its parent sand. Saturated conductivity is 3 orders of magnitude less in the fault than the undeformed sand. As matric potential decreases from 0 to -200 cm, unsaturated conductivity decreases roughly 1 order of magnitude in the fault but 5-6 orders of magnitude in undeformed sands. Fault conductivity is greater by 2-6 orders of magnitude at matric potentials between -200 and -1000 cm, which are typical potentials for semiarid and arid vadose zones. Fault deformation bands have much higher air-entry matric potential values than parent sands and remain close to saturation well after the parent sands have begun to approach residual moisture content. Under steady state, one-dimensional, gravity-driven flow conditions, moisture transport and solute advection is 102-106 times larger in the fault material than parent sands. Faults are sufficiently conductive to hasten the downward movement of water and solutes through vadose-zone sands under semiarid and arid conditions like those in the Rio Grande rift, thereby potentially enhancing recharge, contaminant migration, and diagenesis.

Synergistic Strategy to Enhance the Thermoelectric Properties of CoSbS1-xSex Compounds via Solid Solution.

PubMed

Yao, Wei; Yang, Dingfeng; Yan, Yanci; Peng, Kunling; Zhan, Heng; Liu, Anping; Lu, Xu; Wang, Guoyu; Zhou, Xiaoyuan

2017-03-29

High thermal conductivity of CoSbS-based limited its own prospect application in thermoelectric energy conversion. Solid solution is an effective approach to optimize the performance of thermoelectric materials with high lattice thermal conductivity because of the enhanced phonons scattering from disorder atoms. In this paper, we have synthesized and measured the thermoelectric properties of solid solution CoSbS 1-x Se x (x = 0, 0.05, 0.10, 0.15, 0.20, 0.30) series samples. The collaborative optimization (enhancing the power factors and reducing the thermal conductivities) to add zT values were realized via substitution of S atoms with the isoelectronic Se atoms in the matrix. Meanwhile, the lowest room temperature lattice thermal conductivity in CoSbS-based materials is obtained (4.72 W m -1 K -1 ) at present. Benefiting from the results of synergistic strategy, a zT of 0.35 was achieved at 923 K for sample CoSbS 0.85 Se 0.15 , a 59% improvement as compared with that of the pristine CoSbS. Band calculation demonstrated that CoSbS 0.85 Se 0.15 present a similar band dispersion with CoSbS. The mechanism of point defect scattering for reducing the lattice thermal conductivity at room temperature, was also analyzed by the Callaway model. The contributions to decrease the room temperature lattice thermal conductivity from the mass and the strain fluctuation in the crystal are comparable. These results can also be extended to other high-efficiency thermoelectric materials with stiff bond and smaller Gruneisen parameters.

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.

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.

Estimation of Soil Moisture Under Vegetation Cover at Multiple Frequencies

NASA Astrophysics Data System (ADS)

Jadghuber, Thomas; Hajnsek, Irena; Weiß, Thomas; Papathanassiou, Konstantinos P.

2015-04-01

Soil moisture under vegetation cover was estimated by a polarimetric, iterative, generalized, hybrid decomposition and inversion approach at multiple frequencies (X-, C- and L-band). Therefore the algorithm, originally designed for longer wavelength (L-band), was adapted to deal with the short wavelength scattering scenarios of X- and C-band. The Integral Equation Method (IEM) was incorporated together with a pedo-transfer function of Dobson et al. to account for the peculiarities of short wavelength scattering at X- and C-band. DLR's F-SAR system acquired fully polarimetric SAR data in X-, C- and L-band over the Wallerfing test site in Lower Bavaria, Germany in 2014. Simultaneously, soil and vegetation measurements were conducted on different agricultural test fields. The results indicate a spatially continuous inversion of soil moisture in all three frequencies (inversion rates >92%), mainly due to the careful adaption of the vegetation volume removal including a physical constraining of the decomposition algorithm. However, for X- and C-band the inversion results reveal moisture pattern inconsistencies and in some cases an incorrectly high inversion of soil moisture at X-band. The validation with in situ measurements states a stable performance of 2.1- 7.6vol.% at L-band for the entire growing period. At C- and X-band a reliable performance of 3.7-13.4vol.% in RMSE can only be achieved after distinct filtering (X- band) leading to a loss of almost 60% in spatial inversion rate. Hence, a robust inversion for soil moisture estimation under vegetation cover can only be conducted at L-band due to a constant availability of the soil signal in contrast to higher frequencies (X- and C-band).

Effect of narrow band nonuniformity on unsteady heat up of water vapor under radiation-conduction combined heat transfer

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

Okamoto, Tatsuyuki; Tanaka, Tomohiro; Morimune, Atsushi

Effect of narrow band nonuniformity on unsteady heat up process of water vapor under radiation-conduction combined heat transfer is examined by comparing the result of numerical simulations with and without incorporation of narrow band nonuniformity. The authors propose a rational and comprehensive computational approach for incorporating the narrow band nonuniformity into numerical simulations of radiative heat transfer when the considered field is nonisothermal. Results of examination exhibited that the contribution of radiative heat transfer to the heat up rate of water vapor may be almost twice overestimated, if the narrow band nonuniformity effect is neglected. Separate analyses of radiative energymore » attributed to wall emission and gas emission clarified that the absorption of wall emission is overestimated and, on the contrary, the absorption of radiation energy emitted by water vapor itself is underestimated if the narrow band nonuniformity is neglected. The reason why such over- or under-estimation is induced is understood by examining the influence of line overlap parameter on the transmittance averaged within a narrow band. Smaller value of line overlap parameter {gamma}/d means more violent narrow band nonuniformity. The broken lines show the narrow band transmittance for flat incident power spectrum, and the solid lines show that for the radiative emission from the absorbing gas itself. It is also clarified that the disregard of the narrow band nonuniformity give rise to serious error in the estimation of absorption rate of wall and gas emission even in the case where the disregard of narrow band nonuniformity bring little change to the temperature distribution. The results illustrated in this paper suggest that the narrow band nonuniformity should not be neglected.« less

A physical model for the reverse leakage current in (In,Ga)N/GaN light-emitting diodes based on nanowires

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

Musolino, M.; Treeck, D. van, E-mail: treeck@pdi-berlin.de; Tahraoui, A.

2016-01-28

We investigated the origin of the high reverse leakage current in light emitting diodes (LEDs) based on (In,Ga)N/GaN nanowire (NW) ensembles grown by molecular beam epitaxy on Si substrates. To this end, capacitance deep level transient spectroscopy (DLTS) and temperature-dependent current-voltage (I-V) measurements were performed on a fully processed NW-LED. The DLTS measurements reveal the presence of two distinct electron traps with high concentrations in the depletion region of the p-i-n junction. These band gap states are located at energies of 570 ± 20 and 840 ± 30 meV below the conduction band minimum. The physical origin of these deep level states is discussed. Themore » temperature-dependent I-V characteristics, acquired between 83 and 403 K, show that different conduction mechanisms cause the observed leakage current. On the basis of all these results, we developed a quantitative physical model for charge transport in the reverse bias regime. By taking into account the mutual interaction of variable range hopping and electron emission from Coulombic trap states, with the latter being described by phonon-assisted tunnelling and the Poole-Frenkel effect, we can model the experimental I-V curves in the entire range of temperatures with a consistent set of parameters. Our model should be applicable to planar GaN-based LEDs as well. Furthermore, possible approaches to decrease the leakage current in NW-LEDs are proposed.« less

Microstructure and conductance-slope of InAs/GaSb tunnel diodes

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

Iutzi, Ryan M., E-mail: iutzi@mit.edu; Fitzgerald, Eugene A.

2014-06-21

InAs/GaSb and similar materials systems have generated great interest as a heterojunction for tunnel field effect transistors (TFETs) due to favorable band alignment. However, little is currently understood about how such TFETs are affected by materials defects and nonidealities. We present measurements of the conductance slope for various InAs/GaSb heterojunctions via two-terminal electrical measurements, which removes three-terminal parasitics and enables direct study on the effect of microstructure on tunnelling. Using this, we can predict how subthreshold swings in TFETs can depend on microstructure. We also demonstrate growth and electrical characterization for structures grown by metalorganic chemical vapor deposition (MOCVD)—a generallymore » more scalable process compared with molecular beam epitaxy (MBE). We determine that misfit dislocations and point defects near the interface can lead to energy states in the band-gap and local band bending that result in trap-assisted leakage routes and nonuniform band alignment across the junction area that lower the steepness of the conductance slope. Despite the small lattice mismatch, misfit dislocations still form in InAs on GaSb due to relaxation as a result of large strain from intermixed compositions. This can be circumvented by growing GaSb on InAs, straining the GaSb underlayer, or lowering the InAs growth temperature in the region of the interface. The conductance slope can also be improved by annealing the samples at higher temperatures, which we believe acts to annihilate point defects and average out major fluctuations in band alignment across the interface. Using a combination of these techniques, we can greatly improve the steepness of the conductance slope which could result in steeper subthreshold swings in TFETs in the future.« less

Characterization of Lorenz number with Seebeck coefficient measurement

DOE PAGES

Kim, Hyun -Sik; Gibbs, Zachary M.; Tang, Yinglu; ...

2015-04-01

In analyzing zT improvements due to lattice thermal conductivity (κ L ) reduction, electrical conductivity (σ) and total thermal conductivity (κ Total ) are often used to estimate the electronic component of the thermal conductivity (κ E ) and in turn κ L from κ L = ~ κ Total - LσT. The Wiedemann-Franz law, κ E = LσT, where L is Lorenz number, is widely used to estimate κ E from σ measurements. It is a common practice to treat L as a universal factor with 2.44 × 10⁻⁸ WΩK⁻² (degenerate limit). However, significant deviations from the degenerate limitmore » (approximately 40% or more for Kane bands) are known to occur for non-degenerate semiconductors where L converges to 1.5 × 10⁻⁸ WΩK⁻² for acoustic phonon scattering. The decrease in L is correlated with an increase in thermopower (absolute value of Seebeck coefficient (S)). Thus, a first order correction to the degenerate limit of L can be based on the measured thermopower, |S|, independent of temperature or doping. We propose the equation: (where L is in 10⁻⁸ WΩK⁻² and S in μV/K) as a satisfactory approximation for L. This equation is accurate within 5% for single parabolic band/acoustic phonon scattering assumption and within 20% for PbSe, PbS, PbTe, Si₀.₈Ge₀.₂ where more complexity is introduced, such as non-parabolic Kane bands, multiple bands, and/or alternate scattering mechanisms. The use of this equation for L rather than a constant value (when detailed band structure and scattering mechanism is not known) will significantly improve the estimation of lattice thermal conductivity. L = 1.5 + exp [-|S|116]« less

Modeling the Radiance of the Moon for On-orbit Calibration

USGS Publications Warehouse

Stone, T.C.; Kieffer, H.H.; Becker, K.J.; ,

2003-01-01

The RObotic Lunar Observatory (ROLO) project has developed radiometric models of the Moon for disk-integrated irradiance and spatially resolved radiance. Although the brightness of the Moon varies spatially and with complex dependencies upon illumination and viewing geometry, the surface photometric properties are extremely stable, and therefore potentially knowable to high accuracy. The ROLO project has acquired 5+ years of spatially resolved lunar images in 23 VNIR and 9 SWIR filter bands at phase angles up to 90??. These images are calibrated to exoatmospheric radiance using nightly stellar observations in a band-coupled extinction algorithm and a radiometric scale based upon observations of the star Vega. An effort is currently underway to establish an absolute scale with direct traceability to NIST radiometric standards. The ROLO radiance model performs linear fitting of the spatially resolved lunar image data on an individual pixel basis. The results are radiance images directly comparable to spacecraft observations of the Moon. Model-generated radiance images have been produced for the ASTER lunar view conducted on 14 April 2003. The radiance model is still experimental - simplified photometric functions have been used, and initial results show evidence of computational instabilities, particularly at the lunar poles. The ROLO lunar image dataset is unique and extensive and presents opportunities for development of novel approaches to lunar photometric modeling.

Effect of B, N, Ge, Sn, K doping on electronic-transport properties of (5, 0) zigzag carbon nanotube

NASA Astrophysics Data System (ADS)

Kamalian, Monir; Seyed Jalili, Yousef; Abbasi, Afshin

2018-04-01

In this paper the effect of impurity on the electronic properties and quantum conductance of zigzag (5, 0) carbon nanotube have been studied by using the Density Functional Theory (DFT) combined with Non-Equilibrium Green’s Function (NEGF) formalism with TranSIESTA software. The effect of Boron (B), Nitrogen (N), Germanium (Ge), Tin (Sn) and Potassium (K) impurities on the CNT conduction behavior and physical characteristics, like density of states (DOS), band structure, transmission coefficients and quantum conductance was considered and discussed simultaneously. The current‑voltage (I‑V) curves of all the proposed models were studied for comparative study under low-bias conditions. The distinct changes in conductance reported as the positions, number and type of dopants was varied in central region of the CNT between two electrodes at different bias voltages. This suggested conductance enhancement mechanism for the charge transport in the doped CNT at different positions is important for the design of CNT based nanoelectronic devices. The results show that Germanium, Tin and Potassium dopant atoms has increased the conductance of the model manifold than other doping atoms furthermore 10 Boron and 10 Nitrogen dopant atoms showed the amazing property of Negative Differential Resistance (NDR).