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Results for “electron localization”

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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
NASA NTRS1973

Electron pitch angle distributions throughout the magnetosphere as observed on Ogo 5.

A survey of the equatorial pitch angle distributions of energetic electrons is provided for all local times out to radial distances of 20 earth radii on the night side of the earth and to the magnetopause on the day side of the earth. In much of the inner magnetosphere and in the outer magnetosphere on the day side of the earth, the normal loss cone distribution prevails. The effects of drift shell splitting - i.e., the appearance of pitch angle distributions with minimums at 90 deg, called butterfly distributions - become apparent in the early afternoon magnetosphere at extended distances, and the distribution is observed in to 5.5 earth radii in the nighttime magnetosphere. Inside about 9 earth radii the pitch angle effects are quite energy-dependent. Beyond about 9 earth radii in the premidnight magnetosphere during quiet times the butterfly distribution is often observed. It is shown that these electrons cannot survive a drift to dawn without being considerably modified. The role of substorm activity in modifying these distributions is identified.

West, H. I., Jr.↗
DOE OSTI2026

The origin of metallic conductivity in Pt 3 O 4 : a first principles study

The platinum oxide Pt 3 O 4 exhibits metallic conductivity even though it contains square-planar PtO4 units, which in related oxides such as PtO are usually associated with insulating behavior. To identify the electronic origin of this anomalous metallicity, we performed a comprehensive first-principles study using the PBE and r 2 SCAN functionals together with Hubbard U corrections and spin-orbit coupling (SOC). Structural benchmarks show that r 2 SCAN with SOC and a moderate U value (<4 eV) reproduces the experimental lattice constants and formation enthalpy, whereas larger U values (~8 eV) destabilize the cubic structure. Across all functionals and U values considered in this work, Pt 3 O 4 remains metallic. Analyses of the projected density of states, band structures, charge-density isosurfaces, and bonding characteristics demonstrate that the dominant contribution to the metallic character originates from delocalized Pt–O–Pt hybridized antibonding states at the Fermi level. Direct Pt–Pt interactions are present but contribute less strongly to the conductivity. Bader charge analysis reveals only weak Pt charge disproportionation, consistent with mixed Pt II /Pt III character, and a small charge-transfer energy that prevents localization of the Pt 5d electrons even at elevated U. In contrast, PtO develops a Mott or charge-transfer gap under modest U despite having the same PtO 4 coordination environment. These findings demonstrate that persistent Pt–O–Pt covalency is the primary driver of metallicity in Pt 3 O 4 and support the view that this phase can remain conductive under oxygen reduction and oxygen evolution reaction conditions in fuel cell and electrolyzer environments.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Carrier Localization and Spontaneous Formation of Two-Dimensional Polarization Domain in Halide Perovskites

Halide perovskites are known for their rich phase diagram and superior performance in diverse optoelectronics applications. The latter property is often attributed to the long electron-hole recombination time, whose underlying physical mechanism has been a long-standing controversy. In this Letter, we investigate the transport and localization properties of electron and hole carriers in a prototypical halide perovskite (CsPbBr 3 ), through ab initio tight-binding nonadiabatic dynamics approach for large-scale (tens of nm size) supercell calculations, to simulate electron and ion dynamics on the same footing. Here, we found distinct structural, lattice polarization, and electron-phonon coupling properties at low (below 100 K) and high temperatures, consistent with experimental observations. In particular, at low temperature we find spontaneous formation of polar grain boundaries in the nonpolar bulk systems, which result in two-dimensional polarization patterns that serve to localize and separate electrons and holes. We reveal phonon-assisted variable-range hopping mostly responsible for low-temperature transport, and their characteristic frequency correlates with temperature-dependent phonon power spectrum and energy oscillation frequency in nonadiabatic dynamics. We answer the critical questions of long electron-hole recombination lifetime at low temperature and offer the correlation among polarization domains, electron-phonon couplings, and photocarrier dynamics.

Carrier generation & recombination↗
NASA NTRS1990

Spatial relationships between region 2 field-aligned currents and electron and ion precipitation in the evening sector

The equatorward cutoff of ion and electron precipitation in relation to the evening region 2 field-aligned current during isolated substorms has been investigated using the magnetic field and plasma data obtained from the Dynamics Explorer 2 satellite. The equatorward boundaries of the region 2 currents relative to those of central plasma sheet (CPS) electron precipitation are determined predominantly by magnetic local time and subsequently change with substorm phases. With approaching midnight, the equatorward boundary of CPS electron precipitation extends toward and eventually equatorward of that of the region 2 current. On the other hand, the equatorward boundary of the region 2 current coincides well with that of 10-20 keV ion precipitation during the whole course of substorms. It is proposed that these ions originate in the so-called Alfven layer and that the location of this inner boundary determines the lower latitude boundary of the region 2 current.

Fujii, R.↗
NASA NTRS1994

Simultaneous measurements of waves and precipitating electrons near the equator in the outer radiation belt

An investigation of wave-particle interactions is made using several simultaneous electron and wave measurements performed at near-equatorial positions from the Combined Release and Radiation Effects Satellite (CRRES) satellite. Bursts of electron precipitation were observed, most frequently at local times near dawn. Examples of bursts are presented in which the fluxes of the precipitating electrons and the wave intensities are correlated with coefficients as high as 0.7. During bursts the frequencies of the enhanced waves spanned a wide range from 311 Hz to 3.11 kHz, and the energies of the enhanced electrons were in the range 1.7 keV to 288 keV. The changes of the precipitating fluxes were generally less pronounced at the lowest energies. On the basis of electron-cyclotron resonant calculations using the cold plasma densities and ambient magnetic fields taken from the CRRES measurements it was found that the wave frequencies and precipitating electron energies were generally consistent with those expected from electron resonance with parallel propagating whistler waves. The electron data of principal concern here were acquired in and about the loss cone with narrow angular resolution spectrometers covering the energy range 340 eV to 5 MeV. The wave data included electric field measurements spanning frequencies from 5 Hz to 400 kHz and magnetic field measurements from 5 Hz to 10 kHz.

Imhof, W. L.↗
NASA NTRS1985

Inference of equatorial field-line-integrated electron density values using whistlers

The nighttime electron density integrated along a magnetic field line at very small L-values (about 1.06) is inferred by comparing whistler dispersions, measured from a sounding rocket, with model ionospheric calculations. At a local time of 0500 LT, the electron density in the F-layer valley was found to be about 1000 per cu cm. It is suggested that this technique can be applied to earlier times in the local evening to determine ionospheric conditions which benefit the growth of low-latitude plasma instabilities.

Anderson, D. N.↗
NASA NTRS1978

Electron temperatures in the F region of the ionosphere - Theory and observations

The theory and observations relating to electron temperatures in the F region of the ionosphere are reviewed. The review is divided into three basic parts. In the first part the theory concerning electron heating, cooling, and energy transport processes is reviewed, and all the relevant expressions are updated. In the second part the behavior of F region electron temperatures, as measured by satellites, rockets, and incoherent scatter radars, is discussed. This portion covers electron temperature variations with altitude, latitude, local time, season, geomagnetic activity, and solar cycle. The third part is primarily devoted to a discussion of the various attempts to compare measured and calculated F region electron temperatures.

Schunk, R. W.↗
NASA NTRS1983

High latitude electromagnetic plasma wave emissions

The principal types of electromagnetic plasma wave emission produced in the high latitude auroral regions are reviewed. Three types of radiation are described: auroral kilometric radiation, auroral hiss, and Z mode radiation. Auroral kilometric radiation is a very intense radio emission generated in the free space R-X mode by electrons associated with the formation of discrete auroral arcs in the local evening. Theories suggest that this radiation is an electron cyclotron resonance instability driven by an enhanced loss cone in the auroral acceleration region at altitudes of about 1 to 2 R sub E. Auroral hiss is a somewhat weaker whistler mode emission generated by low energy (100 eV to 10 keV) auroral electrons. The auroral hiss usually has a V shaped frequency time spectrum caused by a freqency dependent beaming of the whistler mode into a conical beam directed upward or downward along the magnetic field.

Gurnett, D. A.↗
NASA NTRS1969

Technique for pinpointing submicron particles in the electron microprobe

Series of electron micrographs at successively lower magnifications can localize the substrate area sufficiently for a particle to be picked up by the beam of the electron microprobe. This approach could be modified to apply to fractographic studies, particularly of oxidation products stripped from fractures.

Miller, E. L.↗
NASA NTRS1995

On the modeling and optimization of Schottky varactor frequency multipliers at submillimeter wavelengths

Schottky varactor frequency multipliers are used to generate local oscillator power at millimeter and submillimeter wavelengths. The equivalent circuit of the Schottky varactor contains a junction capacitance, a junction conductance, a series resistance and a model for electron velocity saturation. A millimeter wavelengths the equivalent circuits is affected by the edge effects, which are due to the small-area circular anode. The correction factors due to the edge effect for the junction capacitance and for the series resistance are available in the literature. In this work the electron velocity saturation is modeled by limiting the velocity of the transition front between the depleted and undepleted layer. By using this model the maximum current of the diode is given by the actual area of the transition front between depleted and undepleted layers, and is therefore related to the capacitance correction factor. The new model has been tested by analyzing a two diode balanced doubler for 160 GHz presented earlier in the literature. The agreement between the theoretical results and the measurements is excellent. The new diode model is useful in optimization of varactors for high millimeter and submillimeter wave frequencies.

TRT-THEORETICAL↗
DOE OSTI2024

Defect-Limited Mobility and Defect Thermochemistry in Mixed A-Cation Tin Perovskites: (CH3NH3)1-xCsxSnBr3

Hybrid organic-inorganic semiconductors crystallizing in the perovskite structure present a significant opportunity for realizing defect-tolerant semiconductors. In this work, we examine the solid solution, (CH3NH3)1-xCsxSnBr3, and identify the thermochemistry dictating the intrinsic carrier concentrations and how local structural distortions influences this electronic behavior. This family of compounds exhibits the expected systematic trend in decreasing optical gap with the cesium to methylammonium A-site mixing ratio, x, in the visible region. However, the carrier mobility, as determined from time-resolved microwave conductivity measurements, trends opposite to that expected from first-principles calculations combined with Boltzmann scattering theory calculations of the carrier mobility. We propose that this is a result of increasing carrier scattering with x in (CH3NH3)1-xCsxSnBr3 due to a significant increase in the carrier density with x. By examining the dependence of the carrier density as a function of x, we infer the compositional-dependence of the average enthalpy and nonconfigurational entropy per defect. While diffraction reveals a cubic aristotypic perovskite structure as a function of x at room temperature, the pair distribution functions obtained from synchrotron X-ray total scattering from these materials are better described by symmetry-adapted displacement modes of the Pm3m crystal structure, which we attribute to a large degree of anharmonic dynamics of the atom positions. This analysis shows that CH3NH3+-rich compositions retain mostly linear Sn-Br-Sn bonding environments through the displacements, while Cs+-rich compositions lead to more significantly bent Sn-Br-Sn environments. We propose that these bent bonding arrangements in Cs-rich compositions yield a higher propensity for defect formation. This also provides a rationale for carrier trapping that gives rise to anomalous microwave transients. Together, these results provide insight into the structure-dynamics-properties relationships in this highly anharmonic system with high amplitude atomic motions and low defect formation energies.

defect thermochemistry↗
DOE OSTI2025

Formation and optical properties of indium nanoparticle arrays for deep-UV plasmonics

We utilize a combined computational-experimental approach to examine the influence of indium nanoparticle (NP) array distributions on deep-ultraviolet (UV) plasmon resonances. For photon energies < 5.7 eV, analysis of ellipsometric spectra reveals an increase in silicon reflectance induced by indium NP arrays on silicon. For various energies in the range 5.7–7.0 eV, a decrease in reflectance is induced by the NP arrays. Similar trends in reflectance are predicted from finite-difference time-domain (FDTD) simulations using NP size distributions extracted from atomic-force micrographs as input. In addition, in the energy range of 7.4–9.2 eV, the FDTD simulations reveal reflectance minima, characteristic of localized surface plasmon resonances. Here, electron energy-loss spectroscopy collected from individual indium NPs reveals the presence of LSPR at ≈ 8 eV, further supporting the promise of indium NP arrays on silicon for deep-UV plasmonics.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Toward the origins of binding energy shifts and “satellites” formation during plasma-XPS measurements

In-plasma x-ray photoelectron spectroscopy (plasma-XPS) emerges as a powerful platform for real-time, in situ chemical analysis under conditions relevant to semiconductor processing and other plasma-enabled technologies. This study investigates the origins of binding energy (BE) shifts and the formation of “satellite” peaks observed during plasma-XPS measurements across conductive, dielectric, and gas-phase systems. Using a standard laboratory-based ambient pressure XPS apparatus coupled with an alternating current (AC)-driven capacitively coupled plasma source, we demonstrate that metastable surface species, such as transient Au oxides, can be detected during plasma exposure, revealing chemical states that are hardly accessible using conventional ultrahigh vacuum (UHV) XPS. In dielectric samples (e.g., undoped diamond, sapphire), we observe pressure- and plasma-type-dependent BE shifts of more than 50 eV, attributed to x-ray-induced and plasma-mediated surface charging. These shifts are mitigated at higher pressures/plasmas or in electronegative plasmas (e.g., O 2 ), the latter due to enhanced charge compensation mechanisms involving slow negative ions. For gas-phase species, AC-plasma excitation leads to spectral broadening and the emergence of “satellite” peaks with energy separations of a few electron volts, linked to oscillating local plasma potentials in the probing volume. Furthermore, these findings highlight the complex and important interplay between plasma parameters, surface charging, and local electric fields in shaping XPS spectra. Overall, plasma-XPS emerges as a critical metrological tool for probing transient surface chemistry, with implications for semiconductor processing, material synthesis, and plasma diagnostics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Distinguishing surface and bulk electromagnetism via their dynamics in an intrinsic magnetic topological insulator

The indirect exchange interaction between local magnetic moments via surface electrons has been long predicted to bolster the surface ferromagnetism in magnetic topological insulators (MTIs), which facilitates the quantum anomalous Hall effect. This unconventional effect is critical to determining the operating temperatures of future topotronic devices. However, the experimental confirmation of this mechanism remains elusive, especially in intrinsic MTIs. Here, we combine time-resolved photoemission spectroscopy with time-resolved magneto-optical Kerr effect measurements to elucidate the unique electromagnetism at the surface of an intrinsic MTI MnBi 2 Te 4 . Theoretical modeling based on 2D Ruderman-Kittel-Kasuya-Yosida interactions captures the initial quenching of a surface-rooted exchange gap within a factor of two but overestimates the bulk demagnetization by one order of magnitude. This mechanism directly explains the sizable gap in the quasi-2D electronic state and the nonzero residual magnetization in even-layer MnBi 2 Te 4 . Furthermore, it leads to efficient light-induced demagnetization comparable to state-of-the-art magnetophotonic crystals, promising an effective manipulation of magnetism and topological orders for future topotronics.

74 ATOMIC AND MOLECULAR PHYSICS↗