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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Electron tunneling spectroscopy study of electrically active traps in AlGaN/GaN high electron mobility transistors

We investigate the energy levels of electron traps in AlGaN/GaN high electron mobility transistors by the use of electron tunneling spectroscopy. Detailed analysis of a typical spectrum, obtained in a wide gate bias range and with both bias polarities, suggests the existence of electron traps both in the bulk of AlGaN and at the AlGaN/GaN interface. The energy levels of the electron traps have been determined to lie within a 0.5 eV band below the conduction band minimum of AlGaN, and there is strong evidence suggesting that these traps contribute to Frenkel-Poole conduction through the AlGaN barrier.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Nonlinear space charge dynamics in mixed ionic-electronic conductors: Resistive switching and ferroelectric-like hysteresis of electromechanical response

We performed self-consistent modelling of nonlinear electrotransport and electromechanical response of thin films of mixed ionic-electronic conductors (MIEC) allowing for steric effects of mobile charged defects (ions, protons, or vacancies), electron degeneration, and Vegard stresses. We establish correlations between the features of the nonlinear space-charge dynamics, current-voltage, and bending-voltage curves for different types of the film electrodes. A pronounced ferroelectric-like hysteresis of the bending-voltage loops and current maxima on the double hysteresis current-voltage loops appear for the electron-transport electrodes. The double hysteresis loop with pronounced humps indicates a memristor-type resistive switching. The switching occurs due to the strong nonlinear coupling between the electronic and ionic subsystems. A sharp meta-stable maximum of the electron density appears near one open electrode and moves to another one during the periodic change of applied voltage. Our results can explain the nonlinear nature and correlation of electrical and mechanical memory effects in thin MIEC films. The analytical expression proving that the electrically induced bending of MIEC films can be detected by interferometric methods is derived.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

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

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

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

The Coulomb, exchange, and correlation components of the electron-electron repulsion in harmonium atoms

Highly accurate Coulomb, exchange, and correlation components of the electron-electron repulsion energies of the three-electron harmonium atoms in the {sup 2}P{sub −} and {sup 4}P{sub +} states are obtained for 19 values of the confinement strength ω ranging from 10{sup −3} to 10{sup 3}. The computed data are consistent with their ω → 0 and ω → ∞ asymptotics that are given by closed-form algebraic expressions. Robust approximants that accurately reproduce the actual values of the energy components while strictly conforming to these limits are constructed, opening an avenue to stringent tests capable of predicting the performance of electronic structure methods for systems with varying extents of the dynamical and nondynamical electron correlation. The values of the correlation components, paired with the computed 1-matrices are expected to be particularly useful in the context of benchmarking of approximate density matrix functionals.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

Electroluminescence of hot electrons in AlGaN/GaN high-electron-mobility transistors under radio frequency operation

Hot electrons in AlGaN/GaN high electron mobility transistors are studied during radio frequency (RF) and DC operation by means of electroluminescence (EL) microscopy and spectroscopy. The measured EL intensity is decreased under RF operation compared to DC at the same average current, indicating a lower hot electron density. This is explained by averaging the DC EL intensity over the measured load line used in RF measurements, giving reasonable agreement. In addition, the hot electron temperature is lower by up to 15% under RF compared to DC, again at least partially explainable by the weighted averaging along the specific load line. However, peak electron temperature under RF occurs at high V{sub DS} and low I{sub DS} where EL is insignificant suggesting that any wear-out differences between RF and DC stress of the devices will depend on the balance between hot-carrier and field driven degradation mechanisms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Positive semidefinite tensor factorizations of the two-electron integral matrix for low-scaling ab initio electronic structure

Tensor factorization of the 2-electron integral matrix is a well-known technique for reducing the computational scaling of ab initio electronic structure methods toward that of Hartree-Fock and density functional theories. The simplest factorization that maintains the positive semidefinite character of the 2-electron integral matrix is the Cholesky factorization. In this paper, we introduce a family of positive semidefinite factorizations that generalize the Cholesky factorization. Using an implementation of the factorization within the parametric 2-RDM method [D. A. Mazziotti, Phys. Rev. Lett. 101, 253002 (2008)], we study several inorganic molecules, alkane chains, and potential energy curves and find that this generalized factorization retains the accuracy and size extensivity of the Cholesky factorization, even in the presence of multi-reference correlation. The generalized family of positive semidefinite factorizations has potential applications to low-scaling ab initio electronic structure methods that treat electron correlation with a computational cost approaching that of the Hartree-Fock method or density functional theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Electronic Raman scattering and the renormalization of the electron spectrum in LuB{sub 12}

The electronic Raman scattering in LuB{sub 12} single crystals of various isotope compositions is studied in the temperature range 10–650 K. The shape and the energy position of spectral maxima depend on the direction and magnitude of a probe wavevector, the temperature, and the excitation symmetry and remain unchanged when the isotope composition changes. Experimental spectra are compared with the spectra simulated on the basis of a calculated electronic structure. The experimental results are successfully described when the electron spectrum renormalization effects caused by electron–phonon coupling are taken into account. This confirms that the origin of the observed spectra in LuB{sub 12} is due to Raman scattering by electrons. A comparison of the calculated and experimental data makes it possible to determine the coupling constant (λ{sub ep} = 0.32) that gives the correct superconducting transition temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗