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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Efficient calculation of carrier scattering rates from first principles

Abstract The electronic transport behaviour of materials determines their suitability for technological applications. We develop a computationally efficient method for calculating carrier scattering rates of solid-state semiconductors and insulators from first principles inputs. The present method extends existing polar and non-polar electron-phonon coupling, ionized impurity, and piezoelectric scattering mechanisms formulated for isotropic band structures to support highly anisotropic materials. We test the formalism by calculating the electronic transport properties of 23 semiconductors, including the large 48 atom CH 3 NH 3 PbI 3 hybrid perovskite, and comparing the results against experimental measurements and more detailed scattering simulations. The Spearman rank coefficient of mobility against experiment ( r s = 0.93) improves significantly on results obtained using a constant relaxation time approximation ( r s = 0.52). We find our approach offers similar accuracy to state-of-the art methods at approximately 1/500th the computational cost, thus enabling its use in high-throughput computational workflows for the accurate screening of carrier mobilities, lifetimes, and thermoelectric power.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Experimental and theoretical study of hole scattering in RF sputtered p-type Cu 2 O thin films

One of the key materials of interest for p-type oxide semiconductor thin film electronics is cuprous oxide (Cu 2 O), due to its relatively high hole mobility. Here, in this work, we use experiments, analytical models, and density functional theory calculations to study the scattering mechanisms that determine Hall mobility in two Cu 2 O samples. First, we examine a polycrystalline Cu 2 O thin film deposited by RF magnetron sputtering, and second, a single-crystalline Cu2O bulk substrate. Temperature-dependent Hall measurements indicate that neutral impurity and grain boundary scattering are dominant for the polycrystalline Cu 2 O thin film, while phonon scattering is dominant for single-crystalline Cu 2 O. Our first-principles calculations show that the room-temperature intrinsic hole mobility of Cu 2 O is 106 cm 2 V –1 s –1 , indicating the great promise of the material for p-type electronic devices. This intrinsic mobility is limited by phonon scattering, with the most dominant scattering modes having phonon energies of 88.4 and 17.1 meV. These results indicate that the key pathways to increase the hole mobility in Cu 2 O thin films are by reducing the impurity concentration and by increasing grain size. Our work thus sets the stage for the future development of high performance Cu 2 O-based p-type thin film transistors.

36 MATERIALS SCIENCE↗
NASA NTRS1984

Synthetic aperture radar images of ocean waves, theories of imaging physics and experimental tests

The physical mechanism for the synthetic Aperture Radar (SAR) imaging of ocean waves is investigated through the use of analytical models. The models are tested by comparison with data sets from the SEASAT mission and airborne SAR's. Dominant ocean wavelengths from SAR estimates are biased towards longer wavelengths. The quasispecular scattering mechanism agrees with experimental data. The Doppler shift for ship wakes is that of the mean sea surface.

Vesecky, J. F.↗
DOE OSTI2022

Generalized design principles for hydrodynamic electron transport in anisotropic metals

Interactions of charge carriers with lattice vibrations, or phonons, play a critical role in unconventional electronic transport of metals and semimetals. Recent observations of phonon-mediated collective electron flow in bulk semimetals, termed electron hydrodynamics, present new opportunities in the search for strong electron-electron interactions in high carrier density materials. Here we present the general transport signatures of such a second-order scattering mechanism, along with analytical limits at the Eliashberg level of theory. We study electronic transport, using ab initio calculations, in finite-size channels of semimetallic ZrSiS and TaAs 2 with and without topological band crossings, respectively. The order of magnitude separation between momentum-relaxing and momentum-conserving scattering length scales across a wide temperature range make both of them promising candidates for further experimental observation of electron hydrodynamics. More generally, our calculations suggest that the hydrodynamic transport regime does not, to first order, rely on the topological nature of the bands. Finally, we discuss general design principles guiding future search for hydrodynamic candidates, based on the analytical formulation and our ab initio predictions. Further, we find that systems with strong electron-phonon interactions, reduced electronic phase space, and suppressed phonon-phonon scattering at temperatures of interest are likely to feature hydrodynamic electron transport. We predict that layered and/or anisotropic semimetals composed of half-filled d shells and light group V/VI elements with lower crystal symmetry are promising candidates to observe hydrodynamic phenomena in the future.

36 MATERIALS SCIENCE↗
NASA NTRS1982

Low-energy ion distribution functions on a magnetically quiet day at geostationary altitude /L = 7/

Ion energy and pitch angle distribution functions are examined for a magnetically quiet day using averaged data from ATS 6. For both field-aligned and perpendicular fluxes, the populations have a mixture of characteristic energies, and the distribution functions can be fairly well approximated by Maxwellian distributions over three different energy bands in the range 3-600 eV. Pitch angle distributions varying with local time, and energy distributions are used to compute total ion density. Pitch angle scattering mechanisms responsible for the observed transformation of pitch angle distribution are examined, and it is found that a magnetic noise of a certain power spectral density belonging to the electromagnetic ion cyclotron mode near the ion cyclotron frequency can be effective in trapping the field aligned fluxes by pitch angle scattering.

Singh, N.↗
DOE OSTI2021

Multigroup Scattering in Monte Carlo Radiation Transport Codes [Slides]

Legendre truncations to multigroup scattering distributions are not amenable to Monte Carlo sampling due to negative values. We have implemented two moment-preserving methods in MGMC that capture the shape of the truncation, are non-negative over [-1, 1], and can be efficiently sampled on CPUs and GPUs. MGMC can now simulate neutrons with anisotropic scattering mechanics and MGMC shows good agreement with LANL production codes PARTISN.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1997

MEASUREMENT OF THE NOISE IMPROVEMENT OF A 34-METER CASSEGRAIN ANTENNA RETROFITTED WITH A LOW-BACKSCATTERING STRUT

Large axially-symmetric ground-based dual-reflector antennas are used in a variety of applications simultaneously requiring very high gain and very low noise (e.g., satellite communications, radio astronomy, deep-space communications, and radar). In these systems, reducing the noise by 10 % is equivalent to increasing the antenna gain by roughly 0.5 dB. Since the early days of radio-astronomy this fact has continuously driven efforts to reduce the noise of front-end low-noise amplifiers--a major noise contributor. As the performance of the front-end amplifiers improved, the relative importance of the noise generated by the surrounding warm ground increased, causing the antenna noise to become a major factor in the overall system sensitivity. Since large ground-based reflectors have been around for several decades, the various electrical and mechanical parameters affecting their performance have received considerable attention and are generally well understood. However, the impact of the subreflector supporting struts on the antenna noise performance remains a source of uncertainty. The reason for this stems from the usually large electrical dimensions involved, which precludes the accurate modeling of the various strut-scattering mechanisms. For the particular antennas used on NASA's Deep Space Network, which have been designed to minimize all noise sources, several studies have typically reported measured noise temperatures between 2 and 3 K (at approx. 8.45 GHz, antenna pointing at zenith), attributed to the struts and other unknown effects (see for example [1] and [2]). With this in mind, an effort has recently been conducted to determine optimal strut shapes to reduce the associated noise contribution [3].

Prata, A., Jr.↗
NASA NTRS2012

Iterative Atmospheric Correction Scheme and the Polarization Color of Alpine Snow

Characterization of the Earth's surface is crucial to remote sensing, both to map geomorphological features and because subtracting this signal is essential during retrievals of the atmospheric constituents located between the surface and the sensor. Current operational algorithms model the surface total reflectance through a weighted linear combination of a few geometry-dependent kernels, each devised to describe a particular scattering mechanism. The information content of these measurements is overwhelmed by that of instruments with polarization capabilities: proposed models in this case are based on the Fresnel reflectance of an isotropic distribution of facets. Because of its remarkable lack of spectral contrast, the polarized reflectance of land surfaces in the shortwave infrared spectral region, where atmospheric scattering is minimal, can be used to model the surface also at shorter wavelengths, where aerosol retrievals are attempted based on well-established scattering theories. In radiative transfer simulations, straightforward separation of the surface and atmospheric contributions is not possible without approximations because of the coupling introduced by multiple reflections. Within a general inversion framework, the problem can be eliminated by linearizing the radiative transfer calculation, and making the Jacobian (i.e., the derivative expressing the sensitivity of the reflectance with respect to model parameters) available at output. We present a general methodology based on a Gauss-Newton iterative search, which automates this procedure and eliminates de facto the need of an ad hoc atmospheric correction. In this case study we analyze the color variations in the polarized reflectance measured by the NASA Goddard Institute of Space Studies Research Scanning Polarimeter during a survey of late-season snowfields in the High Sierra. This insofar unique dataset presents challenges linked to the rugged topography associated with the alpine environment and a likely high water content due to melting. The analysis benefits from ancillary information provided by the NASA Langley High Spectral Resolution Lidar deployed on the same aircraft. The results obtained from the iterative scheme are contrasted against the surface polarized reflectance obtained ignoring multiple reflections, via the simplistic subtraction of the atmospheric scattering contribution. Finally, the retrieved reflectance is modeled after the scattering properties of a dense collection of ice crystals at the surface. Confirming that the polarized reflectance of snow is spectrally flat would allow to extend the techniques already in use for polarimetric retrievals of aerosol properties over land to the large portion of snow-covered pixels plaguing orbital and suborbital observations.

Polarized BRDF↗
NASA NTRS1992

Polarization effects and multipolarization SAR

Imaging radar polarimeters are usually implemented using a Synthetic Aperture Radar (SAR) approach to give a high resolution image in two dimensions: range and azimuth. For each pixel in the image a polarimetric SAR gives sufficient information to characterize the polarimetric scattering properties of the imaged area (or target) as seen by the radar. Using a polarimetric SAR system as opposed to a single-polarization SAR system provides significantly more information about the target scattering mechanisms and allows better discrimination between different types of surfaces. In these notes a brief overview of SAR polarimetry is offered. The notes are intended as a text to accompany a lecture on SAR polarimetry as part of an AGARD-NATO course. Covered in the notes are the following: the polarization properties of electromagnetic waves; the concepts of radar scattering and measuring radar backscatter with a SAR; polarization synthesis; scattering matrix, Stokes matrix, and covariance matrix representations of polarimetric SAR data; polarization signature plots; design and calibration of polarimetric SAR systems; polarization filtering for target detection; fitting a simple model to polarimetric SAR measurements of naturally occurring features; and supervised classification of polarimetric SAR data.

Freeman, Anthony↗
NASA NTRS1991

Edge wave visualization

Scattering mechanisms that involve edge waves are addressed. The behavior of edge waves and their interaction with flat, perfectly conducting plates are depicted in the time domain through a visualization of surface currents that flow on the surface, as an incident Gaussian pulse of energy washes over the surface. Viewing these surface currents allows a very clear physical interpretation and appreciation of the scattering process.

Dominek, Allen K.↗
NASA NTRS1992

A very efficient RCS data compression and reconstruction technique, volume 4

A very efficient compression and reconstruction scheme for RCS measurement data was developed. The compression is done by isolating the scattering mechanisms on the target and recording their individual responses in the frequency and azimuth scans, respectively. The reconstruction, which is an inverse process of the compression, is granted by the sampling theorem. Two sets of data, the corner reflectors and the F-117 fighter model, were processed and the results were shown to be convincing. The compression ratio can be as large as several hundred, depending on the target's geometry and scattering characteristics.

Tseng, N. Y.↗
NASA NTRS2003

Dyakonov-Perel Effect on Spin Dephasing in n-Type GaAs

A paper presents a study of the contribution of the Dyakonov-Perel (DP) effect to spin dephasing in electron-donor-doped bulk GaAs in the presence of an applied steady, moderate magnetic field perpendicular to the growth axis of the GaAs crystal. (The DP effect is an electron-wave-vector-dependent spin-state splitting of the conduction band, caused by a spin/orbit interaction in a crystal without an inversion center.) The applicable Bloch equations of kinetics were constructed to include terms accounting for longitudinal optical and acoustic phonon scattering as well as impurity scattering. The contributions of the aforementioned scattering mechanisms to spin-dephasing time in the presence of DP effect were examined by solving the equations numerically. Spin-dephasing time was obtained from the temporal evolution of the incoherently summed spin coherence. Effects of temperature, impurity level, magnetic field, and electron density on spin-dephasing time were investigated. Spin-dephasing time was found to increase with increasing magnetic field. Contrary to predictions of previous simplified treatments of the DP effect, spin-dephasing time was found to increase with temperature in the presence of impurity scattering. These results were found to agree qualitatively with results of recent experiments.

Ning, C. Z.↗
DOE OSTI2021

Phonon- and defect-limited electron and hole mobility of diamond and cubic boron nitride: A critical comparison

Diamond and cBN are two of the most promising ultra-wide bandgap semiconductors for applications in high-power high-frequency electronic devices. Despite extensive studies on carrier transport in these materials, there are large discrepancies in their reported carrier mobilities. In this work, we investigate the phonon- and dopant-limited electron and hole mobilities of cBN and diamond with atomistic first-principles calculations in order to understand their fundamental upper bounds to carrier transport. Our results show that although the phonon-limited electron mobilities are comparable between cBN and diamond, the hole mobility is significantly lower in cBN due to its heavier hole effective mass. Moreover, although lattice scattering dominates the mobility at low doping, neutral impurity scattering becomes the dominant scattering mechanism at higher dopant concentrations due to the high dopant ionization energies. Our analysis provides critical insights and reveals the intrinsic upper limits to the carrier mobilities of diamond and cBN as a function of doping and temperature for applications in high-power electronic devices.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Piezoelectric Electron-Phonon Interaction from Ab Initio Dynamical Quadrupoles: Impact on Charge Transport in Wurtzite GaN

First-principles calculations of $\textit{e}$-ph interactions are becoming a pillar of electronic structure theory. However, the current approach is incomplete. The piezoelectric (PE) $\textit{e}$-ph interaction, a long-range scattering mechanism due to acoustic phonons in noncentrosymmetric polar materials, is not accurately described at present. Current calculations include short-range $\textit{e}$-ph interactions (obtained by interpolation) and the dipolelike Frölich long-range coupling in polar materials, but lack important quadrupole effects for acoustic modes and PE materials. Here we derive and compute the long-range $\textit{e}$-ph interaction due to dynamical quadrupoles, and apply this framework to investigate $\textit{e}$-ph interactions and the carrier mobility in the PE material wurtzite GaN. In this work, we show that the quadrupole contribution is essential to obtain accurate $\textit{e}$-ph matrix elements for acoustic modes and to compute PE scattering. Our work resolves the outstanding problem of correctly computing $\textit{e}$-ph interactions for acoustic modes from first principles, and enables studies of $\textit{e}$-ph coupling and charge transport in PE materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1993

First radar echoes from cumulus clouds

In attempting to use centimeter-wavelength radars to investigate the early stage of precipitation formation in clouds, 'mantle echoes' are rediscovered and shown to come mostly from scattering by small-scale variations in refractive index, a Bragg kind of scattering mechanism. This limits the usefulness of single-wavelength radar for studies of hydrometeor growth, according to data on summer cumulus clouds in North Dakota, Hawaii, and Florida, to values of reflectivity factor above about 10 dBZe with 10-cm radar, 0 dBZe with 5-cm radar, and -10 dBZe with 3-cm radar. These are limits at or above which the backscattered radar signal from the kinds of clouds observed can be assumed to be almost entirely from hydrometeors or (rarely) other particulate material such as insects. Dual-wavelength radar data can provide the desired information about hydrometeors at very low reflectivity levels if assumptions can be made about the inhomogeneities responsible for the Bragg scattering. The Bragg scattering signal itself probably will be a useful way to probe inhomogeneities one-half the radar wavelength in scale for studying cloud entrainment and mixing processes. However, this use is possible only before scattering from hydrometeors dominates the radar return.

Knight, Charles A.↗
NASA NTRS1992

Comparison of Goldstone and Magellan radar data in the equatorial plains of Venus

Goldstone radar observations of the equatorial plains of Venus provide complementary information to that obtained by Magellan. Different radar scattering mechanisms dominate each system, leading to sampling of different surface properties. Comparison of image data and derived parameters indicate that: (1) relatively high dielectric constants on impact-related parabolic features are detected in Goldstone backscatter, Magellan reflectivity, and Magellan emissivity data; the dielectric effects are overwhelmed by roughness-related signatures in Magellan synthetic aperture radar (SAR) data; (2) lava flows in Navka Planitia show dielectric variations both among and within flows; higher dielectric constants on the perimeter of some flows may by due to a decrease in vesicularity; (3) some volcanic domes are relatively smooth at the wavelength scale and probably consist of low-density deposits; (4) comparisons of Magellan SAR data with rough surface scattering models and SAR data of terrestrial surfaces indicate that the roughness characteristics of the equatorial plains surfaces are comparable to modified terrestrial lava flows; and (5) scattering properties of an equatorial 'ridge belt' structure suggest highly weathered or soil-dominated surfaces.

Plaut, Jeffrey J.↗
DOE OSTI2021

Visualizing band selective enhancement of quasiparticle lifetime in a metallic ferromagnet

Abstract Electrons navigate more easily in a background of ordered magnetic moments than around randomly oriented ones. This fundamental quantum mechanical principle is due to their Bloch wave nature and also underlies ballistic electronic motion in a perfect crystal. As a result, a paramagnetic metal that develops ferromagnetic order often experiences a sharp drop in the resistivity. Despite the universality of this phenomenon, a direct observation of the impact of ferromagnetic order on the electronic quasiparticles in a magnetic metal is still lacking. Here we demonstrate that quasiparticles experience a significant enhancement of their lifetime in the ferromagnetic state of the low-density magnetic semimetal EuCd 2 As 2 , but this occurs only in selected bands and specific energy ranges. This is a direct consequence of the magnetically induced band splitting and the multi-orbital nature of the material. Our detailed study allows to disentangle different electronic scattering mechanisms due to non-magnetic disorder and magnon exchange. Such high momentum and energy dependence quasiparticle lifetime enhancement can lead to spin selective transport and potential spintronic applications.

36 MATERIALS SCIENCE↗