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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Experimental study of upper sd shell nuclei and evolution of sd-fp shell gap

The intruder orbitals from the fp shell play important role in the structure of nuclei around the line of stability in the upper sd shell. Experimentally we have studied {sup 35}Cl, {sup 30}P, {sup 36}Cl, {sup 37}Ar and {sup 34}Cl in this mass region using the INGA setup. Large basis cross-shell shell model calculations have indicated the need for change of the sd-fp energy gap for reliable reproduction of negative parity and high spin positive parity states. Indication of population of states of large deformation has been found in our data. Theoretical interpretation of these states has been discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2012

Band gap tuning and optical absorption in type-II InAs/GaSb mid infrared short period superlattices: 14 bands K Dot-Operator p study

The MBE growth of short-period InAs/GaSb type-II superlattice structures, varied around 20.5 A InAs/24 A GaSb were [J. Applied physics, 96, 2580 (2004)] carried out by Haugan et al. These SLs were designed to produce devices with an optimum mid-infrared photoresponse and a sharpest photoresponse cutoff. We have used a realistic and reliable 14-band k.p formalism description of the superlattice electronic band structure to calculate the absorption coefficient in such short-period InAs/GaSb type-II superlattices. The parameters for this formalism are known from fitting to independent experiments for the bulk materials. The band-gap energies are obtained without any fitting parameters, and are in good agreement with experimental data.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Pseudomorphic GeSn/Ge(001) quantum wells: Examining indirect band gap bowing

A study of the bandgap character of compressively strained GeSn{sub 0.060-0.091}/Ge(001) quantum wells grown by molecular beam epitaxy is reported. The built-in strain in GeSn wells leads to an increased separation between L and {Gamma} conduction band minima. The prevalent indirect interband transitions in GeSn were probed by photoluminescence spectroscopy. As a result we could simulate the L-valley bowing parameter in GeSn alloys, b{sub L} = 0.80 {+-} 0.06 eV at 10 K. From this we conclude that even compressively strained GeSn/Ge(001) alloys could become direct band gap semiconductors at the Sn-fraction higher than 17.0 at. %.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Electronic properties of graphene nano-flakes: Energy gap, permanent dipole, termination effect, and Raman spectroscopy

The electronic properties of graphene nano-flakes (GNFs) with different edge passivation are investigated by using density functional theory. Passivation with F and H atoms is considered: C{sub N{sub c}} X{sub N{sub x}} (X = F or H). We studied GNFs with 10 < N{sub c} < 56 and limit ourselves to the lowest energy configurations. We found that: (i) the energy difference Δ between the highest occupied molecular orbital and the lowest unoccupied molecular orbital decreases with N{sub c}, (ii) topological defects (pentagon and heptagon) break the symmetry of the GNFs and enhance the electric polarization, (iii) the mutual interaction of bilayer GNFs can be understood by dipole-dipole interaction which were found sensitive to the relative orientation of the GNFs, (iv) the permanent dipoles depend on the edge terminated atom, while the energy gap is independent of it, and (v) the presence of heptagon and pentagon defects in the GNFs results in the largest difference between the energy of the spin-up and spin-down electrons which is larger for the H-passivated GNFs as compared to F-passivated GNFs. Our study shows clearly the effect of geometry, size, termination, and bilayer on the electronic properties of small GNFs. This study reveals important features of graphene nano-flakes which can be detected using Raman spectroscopy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Band gap tunning in BN-doped graphene systems with high carrier mobility

Using density functional theory, we present a comparative study of the electronic properties of BN-doped graphene monolayer, bilayer, trilayer, and multilayer systems. In addition, we address a superlattice of pristine and BN-doped graphene. Five doping levels between 12.5% and 75% are considered, for which we obtain band gaps from 0.02 eV to 2.43 eV. We demonstrate a low effective mass of the charge carriers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Electronic band gap reduction and intense luminescence in Co and Mn ion-implanted SiO{sub 2}

Cobalt and manganese ions are implanted into SiO{sub 2} over a wide range of concentrations. For low concentrations, the Co atoms occupy interstitial locations, coordinated with oxygen, while metallic Co clusters form at higher implantation concentrations. For all concentrations studied here, Mn ions remain in interstitial locations and do not cluster. Using resonant x-ray emission spectroscopy and Anderson impurity model calculations, we determine the strength of the covalent interaction between the interstitial ions and the SiO{sub 2} valence band, finding it comparable to Mn and Co monoxides. Further, we find an increasing reduction in the SiO{sub 2} electronic band gap for increasing implantation concentration, due primarily to the introduction of Mn- and Co-derived conduction band states. We also observe a strong increase in a band of x-ray stimulated luminescence at 2.75 eV after implantation, attributed to oxygen deficient centers formed during implantation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Band gap narrowing in zinc oxide-based semiconductor thin films

A simple expression is proposed for the band gap narrowing (or shrinkage) in semiconductors using optical absorption measurements of spin coated 1 at. % Ga-doped ZnO (with additional 0–1.5 at. % zinc species) thin films as ΔE{sub BGN} = Bn{sup 1/3} [1 − (n{sub c}/n){sup 1/3}], where B is the fitting parameter, n is carrier concentration, and n{sub c} is the critical density required for shrinkage onset. Its uniqueness lies in not only describing variation of ΔE{sub BGN} correctly but also allowing deduction of n{sub c} automatically for several M-doped ZnO (M: Ga, Al, In, B, Mo) systems. The physical significance of the term [1 − (n{sub c}/n){sup 1/3}] is discussed in terms of carrier separation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

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

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

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Direct band gap electroluminescence from bulk germanium at room temperature using an asymmetric fin type metal/germanium/metal structure

We demonstrated direct band gap (DBG) electroluminescence (EL) at room temperature from n-type bulk germanium (Ge) using a fin type asymmetric lateral metal/Ge/metal structure with TiN/Ge and HfGe/Ge contacts, which was fabricated using a low temperature (<400 °C) process. Small electron and hole barrier heights were obtained for TiN/Ge and HfGe/Ge contacts, respectively. DBG EL spectrum peaked at 1.55 μm was clearly observed even at a small current density of 2.2 μA/μm. Superlinear increase in EL intensity was also observed with increasing current density, due to superlinear increase in population of elections in direct conduction band. The efficiency of hole injection was also clarified.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Effect of thermal annealing on structure and optical band gap of Se{sub 66}Te{sub 25}In{sub 9} thin films

Thin films of a-Se{sub 66}Te{sub 25}In{sub 9} have been deposited onto a chemically cleaned glass substrate by thermal evaporation technique under vacuum. Glassy nature of the films has been ascertained by X-ray diffraction pattern. The analysis of absorption spectra, measured at normal incidence, in the spectral range 400-1100 nm has been used for the optical characterization of thin films under investigation. The effect of thermal annealing on structure and optical band gap (E{sub g}) of a-Se{sub 66}Te{sub 25}In{sub 9} have been studied.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Tuning the electronic band gap of graphene by oxidation

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

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Band gap bowing parameter in pseudomorphic Al{sub x}Ga{sub 1−x}N/GaN high electron mobility transistor structures

A method for evaluation of aluminium composition in pseudomorphic Al{sub x}Ga{sub 1−x}N layer from the measured photoluminescence (PL) peak energy is presented here. The layers were grown by metalorganic chemical vapor deposition and characterized by high resolution X-ray diffraction (HRXRD), PL, cathodoluminescence, and atomic force microscopy. We estimated the value of biaxial stress in pseudomorphic Al{sub x}Ga{sub 1−x}N layers grown on sapphire and silicon carbide substrates using HRXRD scans. The effect of biaxial stress on the room temperature band edge luminescence in pseudomorphic Al{sub x}Ga{sub 1−x}N/GaN layers for various aluminium compositions in the range of 0.2 < x < 0.3 was determined. The value of pressure coefficient of band gap was also estimated. The stress corrected bowing parameter in Al{sub x}Ga{sub 1−x}N was determined as 0.50 ± 0.06 eV. Our values match well with the theoretically obtained value of bowing parameter from the density functional theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Miscibility gap and phonon thermodynamics of Fe-Au alloys studied by inelastic neutron scattering and nuclear-resonant inelastic x-ray scattering

Recent measurements of the phonon spectra of several Au-rich alloys of face-centered-cubic Fe-Au using inelastic neutron scattering and nuclear-resonant inelastic x-ray scattering are summarized. The Wills-Harrison model, accounting for charge transfer upon alloying, is used to explain the observed negative excess vibrational entropy of mixing, which increases the miscibility gap temperature in the system by an estimated maximum of 550 K and we adjudicate to a charge transfer from the Fe to the Au atoms that results in an increase in the electron density in the free-electron-like states and in stronger sd-hybridization. When Au is the solvent, this softens the Fe–Fe bonds but stiffens the Au–Au and Au–Fe bonds which results in a net stiffening relative to the elemental components.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Effects of electron beam parameters and velocity spread on radio frequency output of a photonic band gap cavity gyrotron oscillator

In this paper, the effects of electron beam parameters and velocity spread on the RF behavior of a metallic photonic band gap (PBG) cavity gyrotron operating at 35 GHz with TE{sub 041}–like mode have been theoretically demonstrated. PBG cavity is used here to achieve a single mode operation of the overmoded cavity. The nonlinear time-dependent multimode analysis has been used to observe the beam-wave interaction behavior of the PBG cavity gyrotron, and a commercially available PIC code “CST Particle Studio” has been reconfigured to obtain 3D simulation results in order to validate the analytical values. The output power for this typical PBG gyrotron has been obtained ∼108 kW with ∼15.5% efficiency in a well confined TE{sub 041}–like mode, while all other competing modes have significantly low values of power output. The output power and efficiency of a gyrotron depend highly on the electron beam parameters and velocity spread. The influence of several electron beam parameters, e.g., beam voltage, beam current, beam velocity pitch factor, and DC magnetic field, on the PBG gyrotron operations has been investigated. This study would be helpful in optimising the electron beam parameters and estimating accurate RF output power of the high frequency PBG cavity based gyrotron oscillators.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Direct observation of a gap opening in topological interface states of MnSe/Bi{sub 2}Se{sub 3} heterostructure

High-quality MnSe(111) film was bilayer-by-bilayer grown epitaxially onto the Bi{sub 2}Se{sub 3}(111) surface using molecular beam epitaxy. Reversal scenario with quintuple layer-by-layer growth of Bi{sub 2}Se{sub 3} onto the MnSe film was also realized. Angle-resolved photoemission spectroscopy measurements of Bi{sub 2}Se{sub 3} capped with two bi-layers of MnSe revealed that an energy gap of about 90 meV appears at the Dirac point of the original Bi{sub 2}Se{sub 3} surface, possibly due to breaking the time-reversal symmetry on the Bi{sub 2}Se{sub 3} surface by magnetic proximity effect from MnSe.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Extended two-temperature model for ultrafast thermal response of band gap materials upon impulsive optical excitation

Thermal modeling and numerical simulations have been performed to describe the ultrafast thermal response of band gap materials upon optical excitation. A model was established by extending the conventional two-temperature model that is adequate for metals, but not for semiconductors. It considers the time- and space-dependent density of electrons photoexcited to the conduction band and accordingly allows a more accurate description of the transient thermal equilibration between the hot electrons and lattice. Ultrafast thermal behaviors of bismuth, as a model system, were demonstrated using the extended two-temperature model with a view to elucidating the thermal effects of excitation laser pulse fluence, electron diffusivity, electron-hole recombination kinetics, and electron-phonon interactions, focusing on high-density excitation.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Resonant tunneling diode based on band gap engineered graphene antidot structures

The present work demonstrates the operation and performance of double barrier Graphene Antidot Resonant Tunnel Diode (DBGA-RTD). Non-Equilibrium Green’s Function (NEGF) frame work with tight-binding Hamiltonian and 2-D Poisson equations were solved self-consistently for device study. The interesting feature in this device is that it is an all graphene RTD with band gap engineered graphene antidot tunnel barriers. Another interesting new finding is that it shows negative differential resistance (NDR), which involves the resonant tunneling in the graphene quantum well through both the electron and hole bound states. The Graphene Antidot Lattice (GAL) barriers in this device efficiently improved the Peak to Valley Ratio to approximately 20 even at room temperature. A new fitting model is developed for the number of antidots and their corresponding effective barrier width, which will help in determining effective barrier width of any size of actual antidot geometry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Zero-n gap in one dimensional photonic crystal

We study a one-dimensional (1-D) photonic crystal composed of Double Positive (DPS) and Double Negative (DNG) material. This structure shows omnidirectional photonic bandgap, which is insensitive with angle of incidence and polarization. To study the effect of structural parameters on the photonic band structure, we have calculated photonic band gap at various thicknesses of DPS and DNG.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗