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Results for “Density of States”

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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Developing a bright 17 keV x-ray source for probing high-energy-density states of matter at high spatial resolution

A set of experiments were performed on the National Ignition Facility (NIF) to develop and optimize a bright, 17 keV x-ray backlighter probe using laser-irradiated Nb foils. High-resolution one-dimensional imaging was achieved using a 15 μm wide slit in a Ta substrate to aperture the Nb He{sub α} x-rays onto an open-aperture, time integrated camera. To optimize the x-ray source for imaging applications, the effect of laser pulse shape and spatial profile on the target was investigated. Two laser pulse shapes were used—a “prepulse” shape that included a 3 ns, low-intensity laser foot preceding the high-energy 2 ns square main laser drive, and a pulse without the laser foot. The laser spatial profile was varied by the use of continuous phase plates (CPPs) on a pair of shots compared to beams at best focus, without CPPs. A comprehensive set of common diagnostics allowed for a direct comparison of imaging resolution, total x-ray conversion efficiency, and x-ray spectrum between shots. The use of CPPs was seen to reduce the high-energy tail of the x-ray spectrum, whereas the laser pulse shape had little effect on the high-energy tail. The measured imaging resolution was comparably high for all combinations of laser parameters, but a higher x-ray flux was achieved without phase plates. This increased flux was the result of smaller laser spot sizes, which allowed us to arrange the laser focal spots from multiple beams and produce an x-ray source which was more localized behind the slit aperture. Our experiments are a first demonstration of point-projection geometry imaging at NIF at the energies (>10 keV) necessary for imaging denser, higher-Z targets than have previously been investigated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

State densities of heavy nuclei in the static-path plus random-phase approximation

We report that nuclear state densities are important inputs to statistical models of compound-nucleus reactions. State densities are often calculated with self-consistent mean-field approximations that do not include important correlations and must be augmented with empirical collective enhancement factors. Here, we benchmark the static-path plus random-phase approximation (SPA + RPA) to the state density in a chain of samarium isotopes 148–155 Sm against exact results (up to statistical errors) obtained with the shell-model Monte Carlo (SMMC) method. The SPA + RPA method incorporates all static fluctuations beyond the mean field together with small-amplitude quantal fluctuations around each static fluctuation. Using a pairing plus quadrupole interaction, we show that the SPA + RPA state densities agree well with the exact SMMC densities for both the even- and odd-mass isotopes. For the even-mass isotopes, we also compare our results with mean-field state densities calculated with the finite-temperature Hartree-Fock-Bogoliubov (HFB) approximation. We find that the SPA + RPA repairs the deficiencies of the mean-field approximation associated with broken rotational symmetry in deformed nuclei and with the violation of particle-number conservation in the pairing condensate. In particular, in deformed nuclei the SPA + RPA reproduces the rotational enhancement of the state density relative to the mean-field state density.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Modeling of free electronic state density in hydrogenic plasmas based on nearest neighbor approximation

Most conventional atomic models in a plasma do not treat the effect of the plasma on the free-electron state density. Using a nearest neighbor approximation, the state densities in hydrogenic plasmas for both bound and free electrons were evaluated and the effect of the plasma on the atomic model (especially for the state density of the free electron) was studied. The model evaluates the electron-state densities using the potential distribution formed by the superposition of the Coulomb potentials of two ions. The potential from one ion perturbs the electronic state density on the other. Using this new model, one can evaluate the free-state density without making any ad-hoc assumptions. The resulting contours of the average ionization degree, given as a function of the plasma temperature and density, are shifted slightly to lower temperatures because of the effect of the increasing free-state density.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Direct local parametrization of nuclear state densities using the back-shifted Bethe formula

Level densities are often parametrized using the back-shifted Bethe formula (BBF) for nuclei that possess experimental data for s-wave neutron resonance average spacings and a complete discrete level sequence at low excitation energies. However, these parametrizations require the additional modeling of the dependence of the spin-cutoff parameter on excitation energy. Here, in this work, we avoid the need to model the spin distribution of level densities by using the experimental data to parametrize directly the state densities, for which the BBF does not depend on the spin-cutoff parameter. This approach allows for a local parameterization of state densities that is independent of the spin-cutoff parameter. We provide these parameters in a tabulated form for applications in nuclear reaction calculations and for testing microscopic approaches to state densities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Excited-State Densities from Time-Dependent Density Functional Response Theory

While the variational principle for excited-state energies leads to a route to obtaining excited-state densities from time-dependent density functional theory, relatively little attention has been paid to the quality of the resulting densities in real space obtained with different exchange-correlation functional approximations or how nonadiabatic approximations developed for energies of states of double-excitation character perform for their densities. Here we derive an expression directly in real space for the excited-state density, which includes the case of nonadiabatic kernels and consequently is able, for the first time, to yield densities of states of double-excitation character. Under some well-defined simplifications, we compare the performance of the local-density approximation and exact-exchange approximation, which are in a sense at the opposite extremes of the fundamental functional approximations, on local and charge-transfer excitations in one-dimensional model systems and show that the dressed Time-Dependent Density Functional Theory (TDDFT) approach gives good densities of double excitations.

approximation↗
DOE OSTI2014

Gate-control efficiency and interface state density evaluated from capacitance-frequency-temperature mapping for GaN-based metal-insulator-semiconductor devices

We present an analysis method for GaN-based metal-insulator-semiconductor (MIS) devices by using capacitance-frequency-temperature (C-f-T) mapping to evaluate the gate-control efficiency and the interface state density, both exhibiting correlations with the linear-region intrinsic transconductance. The effectiveness of the method was exemplified by application to AlN/AlGaN/GaN MIS devices to elucidate the properties of AlN-AlGaN interfaces depending on their formation processes. Using the C-f-T mapping, we extract the gate-bias-dependent activation energy with its derivative giving the gate-control efficiency, from which we evaluate the AlN-AlGaN interface state density through the Lehovec equivalent circuit in the DC limit. It is shown that the gate-control efficiency and the interface state density have correlations with the linear-region intrinsic transconductance, all depending on the interface formation processes. In addition, we give characterization of the AlN-AlGaN interfaces by using X-ray photoelectron spectroscopy, in relation with the results of the analysis.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Effects of argon gas pressure on its metastable-state density in high-density plasmas

The effect of argon gas pressure on its metastable density in inductively coupled plasmas (ICPs) is investigated by using the laser-induced fluorescence method. Our results show that the metastable-state density of argon varies with the gas pressure depending on the measurement position; the density decreases with the pressure at a position far from the ICP antenna, whereas it increases with the pressure at a position near the antenna. This contrast in the metastable-state density trend with the pressure is explained by considering the electron temperature variations at the two measurement positions. The theoretical interpretation and calculation using a global model are also addressed in detail in this paper.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Electrical properties and the determination of interface state density from I–V, C–f and G–f measurements in Ir/Ru/n-InGaN Schottky barrier diode

The electrical properties of the Ir/Ru Schottky contacts on n-InGaN have been investigated by current-voltage (I–V), capacitance-voltage (C–V), capacitance-frequency (C–f) and conductance-frequency (G–f) measurements. The obtained mean barrier height and ideality factor from I–V are 0.61 eV and 1.89. The built-in potential, doping concentration and barrier height values are also estimated from the C–V measurements and the corresponding values are 0.62 V, 1.20 × 1017 cm{sup –3} and 0.79 eV, respectively. The interface state density (N{sub SS}) obtained from forward bias I–V characteristics by considering the series resistance (R{sub S}) values are lower without considering the series resistance (R{sub S}). Furthermore, the interface state density (N{sub SS}) and relaxation time (τ) are also calculated from the experimental C–f and G–f measurements. The N{sub SS} values obtained from the I–V characteristics are almost three orders higher than the N{sub SS} values obtained from the C–f and G–f measurements. The experimental results depict that N{sub SS} and τ are decreased with bias voltage. The frequency dependence of the series resistance (R{sub S}) is attributed to the particular distribution density of interface states.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Accurate Kohn-Sham auxiliary system from the ground-state density of solids

The Kohn-Sham (KS) system is an auxiliary system whose effective potential is unknown in most cases. It is in principle determined by the ground-state density and it has been found numerically for some low-dimensional systems by inverting the KS equations starting from a given accurate density. For solids, only approximate results are available. In this work, we determine accurate exchange-correlation (xc) potentials for Si and NaCl using the ground-state densities obtained from auxiliary field quantum Monte Carlo calculations. We show that these xc potentials can be rationalized as an ensemble of a few local functions of the density, whose form depends on the specific environment and can be well characterized by the gradient of the density and the local kinetic energy density. Further, the KS band structure can be obtained with high accuracy. The true KS band gap turns out to be larger than the prediction of the local density approximation, but significantly smaller than the measurable photoemission gap, which confirms previous estimates. Finally, our findings show that the conjecture that very different xc potentials can lead to very similar densities and other KS observables is true also in solids, which questions the meaning of details of the potentials and, at the same time, confirms the stability of the KS system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Fourier spectrum based extraction of an equivalent trap state density in indium gallium zinc oxide transistors

Segregating the dynamics of gate bias induced threshold voltage shift, and in particular, charge trapping in thin film transistors (TFTs) based on time constants provides insight into the different mechanisms underlying TFTs instability. In this Letter we develop a representation of the time constants and model the magnitude of charge trapped in the form of an equivalent density of created trap states. This representation is extracted from the Fourier spectrum of the dynamics of charge trapping. Using amorphous In-Ga-Zn-O TFTs as an example, the charge trapping was modeled within an energy range of ΔE{sub t}≈ 0.3 eV and with a density of state distribution as D{sub t}(E{sub t−j})=D{sub t0}exp(−ΔE{sub t}/kT)with D{sub t0} = 5.02 × 10{sup 11} cm{sup −2} eV{sup −1}. Such a model is useful for developing simulation tools for circuit design.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Electroweak probes of ground state densities

Background: Elastic electron scattering has been used for decades to paint the most accurate picture of the proton distribution in atomic nuclei. This stands in stark contrast to the neutron distribution that is traditionally probed using hadronic reactions that are hindered by large uncertainties in the reaction mechanism. Spurred by new experimental developments, it is now possible to gain valuable insights into the neutron distribution using exclusively electroweak probes. Purpose: In this work, we aim to assess the information content and complementarity of the following three electroweak experiments in constraining the neutron distribution of atomic nuclei: (a) parity-violating elastic electron scattering, (b) coherent elastic neutrino-nucleus scattering, and (c) elastic electron scattering of unstable nuclei. Methods: Relativistic mean-field models informed by the properties of finite nuclei and neutron stars are used to compute ground state densities and form factors of a variety of nuclei. All the models follow the same fitting protocol, except for the assumed—and presently unknown—value of the neutron skin thickness of 208 Pb. This enables one to tune the density dependence of the symmetry energy without compromising the success in reproducing well known physical observables. Results: We found that the ongoing PREX-II and upcoming CREX campaigns at Jefferson Lab will play a vital role in constraining the weak form factor of xenon and argon, liquid noble gases that are used for the detection of both neutrinos and dark matter particles. Conclusions: Remarkable new advances in experimental physics have opened a new window into ground state densities of atomic nuclei using solely electroweak probes. The diversity and versatility of these experiments reveal powerful correlations that impose important nuclear structure constraints. In turn, these constraints provide quantitative theoretical uncertainties that are instrumental in searches for new physics and insights into the behavior of dense matter.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Using ground state and excited state density functional theory to decipher 3d dopant defects in GaN

Abstract Using ground state density functional theory (DFT) and implementing an occupation-constrained DFT (occ-DFT) for self-consistent excited state calculations, we decipher the electronic structure of the Mn dopant and other 3 d defects in GaN across the band gap. Our analysis, validated with broad agreement with defect levels (ground-state calculations) and photoluminescence data (excited-state calculations), mandates reinterpretation and reassignment of 3 d defect data in GaN. The Mn Ga defect is determined to span stable charge states from (1−) in n -type GaN through (2+) in p -type GaN. The Mn(2+) is predicted to be a d 2 ground state spin triplet defect with a singlet excited state, isoelectronic with the defect associated with the 1.19 eV photoluminescence in n -type GaN. The combined analysis of defect levels and excited states invites reassessment of all d 2 -capable dopants in GaN. We demonstrate that the 1.19 eV defect, a candidate defect for optically controlled quantum applications, cannot be the Cr(1+) assumed in literature and instead must be the V(0). The combined ground-state/excited-state DFT analysis is shown to be able to chemically fingerprint defects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Building an Equation of State Density Ladder

The confluence of major theoretical, experimental, and observational advances are providing a unique perspective on the equation of state of dense neutron-rich matter—particularly its symmetry energy—and its imprint on the mass-radius relation for neutron stars. In this contribution, we organize these developments in an equation of the state density ladder. Of particular relevance to this discussion are the impact of the various rungs on the equation of state and the identification of possible discrepancies among the various methods. A preliminary analysis identifies possible tension between laboratory measurements and gravitational-wave detections that could indicate the emergence of a phase transition in the stellar core.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Sources of error and methods to improve accuracy in interface state density analysis using quasi-static capacitance–voltage measurements in wide bandgap semiconductors

Characterizing interface trap states in commercial wide bandgap devices using frequency-based measurements requires unconventionally high probing frequencies to account for both fast and slow traps associated with wide bandgap materials. The C - ψs technique has been suggested as a viable quasi-static method for determining the interface trap state densities in wide bandgap systems, but the results are shown to be susceptible to errors in the analysis procedure. Here this work explores the primary sources of errors present in the C - ψs technique using an analytical model that describes the apparent response for wide bandgap MOS capacitor devices. Measurement noise is shown to greatly impact the linear fitting routine of the 1/C$^{*2}_s$ vs Ψ s plot to calibrate the additive constant in the surface potential/gate voltage relationship, and an inexact knowledge of the oxide capacitance is also shown to impede interface trap state analysis near the band edge. In addition, a slight nonlinearity that is typically present throughout the 1/C$^{*2}_s$ vs Ψ s plot hinders the accurate estimation of interface trap densities, which is demonstrated for a fabricated n-SiC MOS capacitor device. Methods are suggested to improve quasi-static analysis, including a novel method to determine an approximate integration constant without relying on a linear fitting routine.

42 ENGINEERING↗
DOE OSTI2014

Observation of a new high-β and high-density state of a magnetospheric plasma in RT-1

A new high-β and high-density state is reported for a plasma confined in a laboratory magnetosphere. In order to expand the parameter regime of an electron cyclotron resonance heating experiment, the 8.2 GHz microwave power of the Ring Trap 1 device has been upgraded with the installation of a new waveguide system. The rated input power launched from a klystron was increased from 25 to 50 kW, which enabled the more stable formation of a hot-electron high-β plasma. The diamagnetic signal (the averaged value of four magnetic loops signals) of a plasma reached 5.2 mWb. According to a two-dimensional Grad-Shafranov analysis, the corresponding local β value is close to 100%.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Changes in Hydrogen Concentration and Defect State Density at the Poly-Si/SiOx/c-Si Interface Due to Firing

We determined the density of defect states of poly-Si/SiOx/c-Si junctions featuring a wet chemical interfacial oxide from lifetime measurements using the MarcoPOLO model to calculate recombination and contact resistance in poly-Si/SiOx/c-Si-junctions. In samples that did not receive any hydrogen treatment, the Dit,cSi is about 2 × 1012 cm-2 eV1 before firing and rises to 3–7 × 1012 cm2 eV1 during firing at measured peak temperatures between 620 °C and 863 °C. To address the question of why AlOx/SiNy stacks in contrast to pure SiNy layers for hydrogenation during firing provides better passivation quality, we have measured the hydrogen concentrations at the poly-Si/SiOx/c-Si interface as a function of AlOx layer thickness and compared these to J0 and calculated Dit,c-Si values. We observe an increase of the hydrogen concentration at the SiOx/c-Si interface upon firing as a function of the firing temperature that exceeds the defect concentrations at the interface several times. However, the AlOx layer thickness appears to cause an increase in hydrogen concentration at the SiOx/c-Si interface in these samples rather than exhibiting a hydrogen blocking property.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2015

An investigation of Ar metastable state density in low pressure dual-frequency capacitively coupled argon and argon-diluted plasmas

An tunable diode laser absorption spectroscopy has been used to determine the Ar*({sup 3}P{sub 2}) and Ar*({sup 3}P{sub 0}) metastable atoms densities in dual-frequency capacitively coupled plasmas. The effects of different control parameters, such as high-frequency power, gas pressure and content of Ar, on the densities of two metastable atoms and electron density were discussed in single-frequency and dual-frequency Ar discharges, respectively. Particularly, the effects of the pressure on the axial profile of the electron and Ar metastable state densities were also discussed. Furthermore, a simple rate model was employed and its results were compared with experiments to analyze the main production and loss processes of Ar metastable states. It is found that Ar metastable state is mainly produced by electron impact excitation from the ground state, and decayed by diffusion and collision quenching with electrons and neutral molecules. Besides, the addition of CF{sub 4} was found to significantly increase the metastable destruction rate by the CF{sub 4} quenching, especially for large CF{sub 4} content and high pressure, it becomes the dominant depopulation process.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗