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At least 289 records · Page 16

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NASA NTRS2017

Influence of Containment on the Growth of Germanium-Silicon in Microgravity

This investigation involves the comparison of results achieved from three types of crystal growth of germanium and germanium-silicon alloys: Float zone growth, Bridgman growth, and Detached Bridgman growth. The fundamental goal of the proposed research is to determine the influence of containment on the processing-induced defects and impurity incorporation in germanium-silicon (GeSi) crystals (silicon concentration in the solid up to 5%) for three different growth configurations in order to quantitatively assess the improvements of crystal quality possible by detached growth.

Volz, M. P.↗

DOE OSTI2021

Optimal carrier concentration for FeSb 2 colossal thermopower

Crystals of FeSb 2 correlated narrow-gap semiconductor host colossal thermopower values. By tuning the impurity level here, we demonstrate that electron-phonon scattering that transfers phonon momentum to electrons is efficient only for certain optimal carrier concentration in the low-mobility band. Phonon drag acting on such states in crystals with high phonon mean free path enhances thermopower to colossal values, whereas for different carrier concentration, dominant thermal transport mechanism is electronic diffusion. This highlights the dual nature of correlated in-gap states that take part in the phonon drag but also reduce phonon mean free path.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2003

Paramagnetic Attraction of Impurity-Helium Solids

Impurity-helium solids are formed when a mixture of impurity and helium gases enters a volume of superfluid helium. Typical choices of impurity gas are hydrogen deuteride, deuterium, nitrogen, neon and argon, or a mixture of these. These solids consist of individual impurity atoms and molecules as well as clusters of impurity atoms and molecules covered with layers of solidified helium. The clusters have an imperfect crystalline structure and diameters ranging up to 90 angstroms, depending somewhat on the choice of impurity. Immediately following formation the clusters aggregate into loosely connected porous solids that are submerged in and completely permeated by the liquid helium. Im-He solids are extremely effective at stabilizing high concentrations of free radicals, which can be introduced by applying a high power RF dis- charge to the impurity gas mixture just before it strikes the super fluid helium. Average concentrations of 10(exp 19) nitrogen atoms/cc and 5 x 10(exp 18) deuterium atoms/cc can be achieved this way. It shows a typical sample formed from a mixture of atomic and molecular hydrogen and deuterium. It shows typical sample formed from atomic and molecular nitrogen. Much of the stability of Im-He solids is attributed to their very large surface area to volume ratio and their permeation by super fluid helium. Heat resulting from a chance meeting and recombination of free radicals is quickly dissipated by the super fluid helium instead of thermally promoting the diffusion of other nearby free radicals.

Bernard, E. P.↗

DOE OSTI2021

Combined experimental-theoretical study of electron mobility-limiting mechanisms in SrSnO 3

The discovery and development of ultra-wide bandgap (UWBG) semiconductors is crucial to accelerate the adoption of renewable power sources. This necessitates an UWBG semiconductor that exhibits robust doping with high carrier mobility over a wide range of carrier concentrations. Here we demonstrate that epitaxial thin films of the perovskite oxide Nd x Sr 1 – x SnO 3 (SSO) do exactly this. Nd is used as a donor to successfully modulate the carrier concentration over nearly two orders of magnitude, from 3.7 × 10 18 cm –3 to 2.0 × 10 20 cm –3 . Despite being grown on lattice-mismatched substrates and thus having relatively high structural disorder, SSO films exhibited the highest room-temperature mobility, ~70 cm 2 V –1 s –1 , among all known UWBG semiconductors in the range of carrier concentrations studied. The phonon-limited mobility is calculated from first principles and supplemented with a model to treat ionized impurity and Kondo scattering. This produces excellent agreement with experiment over a wide range of temperatures and carrier concentrations, and predicts the room-temperature phonon-limited mobility to be 76–99 cm 2 V –1 s –1 depending on carrier concentration. This work establishes a perovskite oxide as an emerging UWBG semiconductor candidate with potential for applications in power electronics

36 MATERIALS SCIENCE↗

NASA NTRS1986

Photo Hall-effect characterization of closely compensated Ge:Be

The temperature dependence of the free-carrier concentration in germanium doped with the double acceptor Be has been investigated using the photo Hall-effect technique and found to be strongly temperature dependent when the residual shallow impurities are closely compensated. Close compensation of shallow levels was achieved by controlling the concentration of a beryllium-hydrogen acceptor complex A(Be,H) which is present in crystals grown under a H2 atmosphere. This complex can be removed with high-temperature annealing. An increase of up to two orders of magnitude in free-carrier lifetime as a function of temperature is found to occur between 5 and 11 K in closely compensated material due to the population inversion of ionized centers created by optical pumping.

Germer, T. A.↗

NASA NTRS1997

Development of 256 x 256 Element Impurity Band Conduction Infrared Detector Arrays for Astronomy

This report describes the work performed on a one and a half year advance technology program to develop Impurity Band Conduction (IBC) detectors with very low dark current, high quantum efficiency, and with good repeatable processes. The program fabricated several epitaxial growths of Si:As detecting layers from 15 to 35 microns thick and analyzed the performance versus the thickness and the Arsenic concentration of these epitaxial layers. Some of the epitaxial runs did not yield because of excessive residual impurities. The thicker epitaxial layers and the ones with higher Arsenic concentration resulted in good detectors with low dark currents and good quantum efficiency. The program hybridized six detector die from the best detector wafers to a low noise, 256 x 256 readout array and delivered the hybrids to NASA Ames for a more detailed study of the performance of the detectors.

Domingo, George↗

DOE OSTI2020

Investigation of impurity driven corrosion behavior in molten 2LiF-BeF 2 salt

A 1000 -h corrosion experiment of 316H stainless steel at 700 °C investigated the role of metal fluoride impurities CrF 2 and FeF 2 in LiF-BeF 2 (66-34 mole %) (FLiBe) salt. Inductively coupled plasma-optical emission spectroscopy (ICP-OES) demonstrated the ability to measure changes in the concentration of these fluorides in FLiBe salt. Cyclic voltammetry (CV) showed the potential for real-time quantitative concentration measurement of corrosion products in the molten salt. Materials characterization revealed that both impurity species influence the dissolution of Cr from the alloy. The collective results from these analysis methods advance the understanding of the influence impurities have on materials corrosion.

2LiF-BeF2↗

DOE OSTI2025

Unique & challenging aspects of plutonium metal standards exchange program for actinide measurements

The Los Alamos National Laboratory exchange program is the only program of its kind for the distribution of plutonium (Pu) standards materials with a range of impurity contents to multiple laboratories for destructive measurements of elemental concentration. This paper discusses statistical methods used to address challenges in Pu metal exchange data by way of two case studies. Challenges include how to evaluate a data set when a large fraction of the values are minimum detection limits (MDLs), and how to determine potential outliers with limited in-formation on the true spread of the data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

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↗

NASA NTRS1977

Friction and wear properties of three hard refractory coatings applied by radiofrequency sputtering

The adherence, friction, and wear properties of thin hard refractory compound coatings applied to 440C bearing steel by radiofrequency sputtering were investigated. Friction and wear tests were done with nonconforming pin on disk specimens. The compounds examined were chromium carbide, molybdenum silicide, and titanium carbide. The adherence, friction, and wear were markedly improved by the application of a bias voltage to the bearing steel substrate during coating deposition. Analysis by X-ray photoelectron spectroscopy indicated that the improvement may be due to a reduction in impurities in bias deposited coatings. A fivefold reduction in oxygen concentration in MoSi2 coating by biasing was noted. Chromium carbide was not effective as an antiwear coating. Molybdenum silicide provided some reduction in both friction and wear. Titanium carbide exhibited excellent friction and antiwear properties at light loads. Plastic flow and transfer of the coating material onto the pin specimen appears to be important in achieving low friction and wear.

Brainard, W. A.↗

NASA NTRS1981

A thermochemical model of radiation damage and annealing applied to GaAs solar cells

Calculations of the equilibrium conditions for continuous radiation damage and thermal annealing are reported. The calculations are based on a thermochemical model developed to analyze the incorporation of point imperfections in GaAs, and modified by introducing the radiation to produce native lattice defects rather than high-temperature and arsenic atmospheric pressure. The concentration of a set of defects, including vacancies, divacancies, and impurity vacancy complexes, are calculated as a function of temperature. Minority carrier lifetimes, short circuit current, and efficiency are deduced for a range of equilibrium temperatures. The results indicate that GaAs solar cells could have a mission life which is not greatly limited by radiation damage.

Conway, E. J.↗

NASA NTRS1986

Flat-plate solar array project. Volume 2: Silicon material

The goal of the Silicon Material Task, a part of the Flat Plate Solar Array (FSA) Project, was to develop and demonstate the technology for the low cost production of silicon of suitable purity to be used as the basic material for the manufacture of terrestrial photovoltaic solar cells. Summarized are 11 different processes for the production of silicon that were investigated and developed to varying extent by industrial, university, and Government researchers. The silane production section of the Union Carbide Corp. (UCC) silane process was developed completely in this program. Coupled with Siemens-type chemical vapor deposition reactors, the process was carried through the pilot stage. The overall UCC process involves the conversion of metallurgical-grade silicon to silane followed by decomposition of the silane to purified silicon. The other process developments are described to varying extents. Studies are reported on the effects of impurities in silicon on both silicon-material properties and on solar cell performance. These studies on the effects of impurities yielded extensive information and models for relating specific elemental concentrations to levels of deleterious effects.

Lutwack, R.↗

NASA NTRS1994

Electronic characterization of defects in narrow gap semiconductors

We use a Green's function technique to calculate the position of deep defects in narrow gap semiconductors. We consider substitutional (including antisite), vacancy, and interstitial (self and foreign) deep defects. We also use perturbation theory to look at the effect of nonparabolic bands on shallow defect energies and find nonparabolicity can increase the binding by 10 percent or so. We consider mercury cadmium telluride (MCT), mercury zinc telluride (MZT), and mercury zinc selenide (MZS). For substitutional and interstitial defects we look at the situation with and without relaxation. For substitutional impurities in MCT, MZT, and MZS, we consider x (the concentration of Cd or Zn) in the range 0.1 less than x less than 0.3 and also consider appropriate x so E(sub g) = 0.1 eV for each of the three compounds. We consider several cation site s-like deep levels and anion site p-like levels. For E(sub g) = 0.1 eV, we also consider the effects of relaxation. Similar comments apply to the interstitial deep levels whereas no relaxation is considered for the ideal vacancy model. Relaxation effects can be greater for the interstitial than the substitutional cases. Specific results are given in figures and tables and comparison to experiment is made in a limited number of cases. We find, for example, that I, Se, S, Rn, and N are possible cation site, s-like deep levels in MCT and Zn and Mg are for anion site, p-like levels (both levels for substitutional cases). The corresponding cation and anion site levels for interstitial deep defects are (Au, Ag, Hg, Cd, Cu, Zn) and (N, Ar, O, F). For the substitutional cases we have some examples of relaxation moving the levels into the band gap, whereas for the interstitial case we have examples where relaxation moves it out of the band gap. Future work involves calculating the effects of charge state interaction and seeing the effect of relaxation on vacancy levels.

Patterson, James D.↗

NASA NTRS1995

Spontaneous dewetting of a perfluoropolyether

Eight different production lots of a commercial perfluoropolyether (PFPE) based on hexafluoropropene oxide (HFPO) were applied to polished metal surfaces by spinning. One of the lots repeatedly dewetted from a clean 440C steel surface, forming droplets on the surface, whereas the other seven did not dewet. This dewetting phenomenon also repeatedly occurred on 2024 aluminum and 1018 steel, but not on copper or gold. Fourier transform infrared microspectroscopy (mu-FTIR) was used to determine thickness and uniformity of the PFPE films. The dewetting lot was found to dewet from 440C steel at a film thickness greater than 520 A. A portion of the dewetting lot was heated at 316 C for 12 days in the presence of oxygen and M-50 steel. This fluid did not dewet. Sequentially, samples of the dewetting lot were filtered either with an alumina or a silica cartridge which can remove polar impurities. Neither of the filtered samples dewetted from 440C steel. It was concluded that an unknown impurity, both thermally labile and polar, present at very low concentration and undetected by our analytical techniques (FTIR, proton NMR, or F-19 NMR), was responsible for the dewetting phenomenon.

Shogrin, Bradley↗

DOE OSTI2023

Unraveling the nature of sulfide ions in hydrometallurgical recycling of NCM622 cathode material

The use of lithium-ion batteries (LIBs) has increased dramatically since its initial inception in the late 20th century. Such a surge in the LIB market and industry has resulted in a huge demand for mineral resources. Besides, the large scale of production will lead to massive amounts of waste batteries in the end. As such, recycling is seen as an end-of-pipe process to resolve sustainability and environmental concerns. The hydrometallurgical recycling is considered to be the most prominent method to recover cathode materials from spent LIBs owing to its high leaching efficiency and low energy costs. A series of procedures including pretreatment of the spent LIBs, acid leaching of the black mass, chemical co-precipitation of the hydroxide precursor, and sintering of the cathode active material need to be operated precisely. In this aspect, the impurities introduced during the process could pose a serious threat to the reaction stability as well as recycling consistency. Here, the impact of sulfide ions on recovered LiNi 0.6 Co 0.2 Mn 0.2 O 2 (NCM622) cathode material with the method of hydrometallurgy is first investigated in detail. This study shows that hydrometallurgical process is not obviously influenced by sulfide impurity. No signs of secondary phase or impurity inclusion are spotted in synthesized cathodes. Under 5 at % sulfide concentration conditions, the obtained NCM622 cathode exhibits a capacity of 159.4 mAh/g after 100 cycles at 1/3C, which is at the same level as virgin benchmark. The difference in rate performance between cathodes with and without additional sulfide is less than 2 % or even smaller. In short, the results indicate a neutral status of sulfide ions in hydrometallurgical recycling.

25 ENERGY STORAGE↗

NASA NTRS1976

Characterization of iron-doped lithium niobate for holographic storage applications

A comprehensive characterization of chemical and holographic properties of eight systematically chosen Fe:LiNbO3 crystals is performed in order to determine optimum performance of the crystals in holographic storage and display applications. The discussion covers determination of Fe(2+) and Fe(3+) ion concentrations in Fe:LiNbO3 system from optical absorption and EPR measurements; establishment of the relation between the photorefractive sensitivity of Fe(2+) and Fe(3+) concentrations; study of the spectral dependence, the effect of oxygen annealing, and of other impurities on the photorefractive sensitivity; analysis of the diffraction efficiency curves for different crystals and corresponding sensitivities with the dynamic theory of hologram formation; and determination of the bulk photovoltaic fields as a function of Fe(2+) concentrations. In addition to the absolute Fe(2+) concentration, the relative concentrations of Fe(2+) and Fe(3+) ions are also important in determining the photorefractive sensitivity. There exists an optimal set of crystal characteristics for which the photorefractive sensitivity is most favorable.

Shah, R. R.↗

DOE OSTI2024

Electron mobility of SnO 2 from first principles

The transparent conducting oxide SnO 2 is a wide bandgap semiconductor that is easily n-type doped and widely used in various electronic and optoelectronic applications. Experimental reports of the electron mobility of this material vary widely depending on the growth conditions and doping concentrations. In this work, we calculate the electron mobility of SnO 2 from first principles to examine the temperature and doping concentration dependence and to elucidate the scattering mechanisms that limit transport. We include both electron–phonon scattering and electron-ionized impurity scattering to accurately model scattering in a doped semiconductor. Furthermore, we find a strongly anisotropic mobility that favors transport in the direction parallel to the c-axis. At room temperature and intrinsic carrier concentrations, the low-energy polar-optical phonon modes dominate scattering, while ionized-impurity scattering dominates above 10 18 cm −3 .

36 MATERIALS SCIENCE↗

NASA NTRS1991

Composition dependence of superconductivity in YBa2(Cu(3-x)Al(x))Oy

Eleven different compositions in the system YBa2(Cu(3-x)Al(x))O(y) (x = 0 to 0.3) have been synthesized and characterized by electrical resistivity measurements, powder x-ray diffraction, and scanning electron microscopy. The superconducting transition temperature T sub c (onset) was almost unaffected by the presence of alumina due to its limited solubility in YBa2Cu3O(7-x). However, T sub c(R = 0) gradually decreased, and the resistive tails became longer with increasing Al2O3 concentration. This was probably due to formation of BaAl2O4 and other impurity phases from chemical decomposition of the superconducting phase by reaction with Al2O3.

Bansal, Narottam P.↗