Impurity conduction in the intermediate concentration region.
Activation energy and impurity conduction in antimony doped germanium in intermediate impurity concentration based on negative ion D band
IMPURITY↗
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Understanding Trace Iron and Chromium Incorporation During Gibbsite Crystallization and Effects on Mineral Dissolution
Incorporation of pollutants, e.g., heavy metals, or critical elements, e.g., lithium, as impurities in mineral phases can significantly affect their mobility or sequestration in the environment. Even when present at low concentrations, impurities can alter the solubility and reactivity of the host mineral. Here, in this study, we investigate the incorporation of trace amounts of iron (Fe 3+ ) and chromium (Cr 3+ ) during the crystal growth of the aluminum (Al 3+ ) hydroxide, gibbsite, a major component of bauxite ores, an important soil mineral, and a dominant mineral phase in stored radioactive wastes. Using a comprehensive suite of analytical techniques, we show that both Cr 3+ and Fe 3+ can be incorporated into the gibbsite lattice during coprecipitation by replacing Al 3+ in octahedral sites. These small amounts are consistent with limited to no structural isomorphism shared between Al 3+ and Cr 3+ /Fe 3+ hydroxide precipitates, nor room temperature miscibility of their isostructural M 2 O 3 oxide forms, in contrast with oxyhydroxide forms where Al 3+ and Fe 3+ share similar structural topologies. Despite the limited uptake of Cr 3+ /Fe 3+ , we show that these impurities have significant implications for gibbsite dissolution behavior. The limited uptake of Cr 3+ /Fe 3+ (e.g. 0.43% Cr 3+ and 0.4% Fe 3+ ), we show that these impurities have significant implications for gibbsite dissolution behavior and subsequent reactivity in complex environments.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Ab initio calculation of carrier mobility in semiconductors including ionized-impurity scattering
The past decade has seen the emergence of ab initio computational methods for calculating phonon-limited carrier mobilities in semiconductors with predictive accuracy. More realistic calculations ought to take into account additional scattering mechanisms such as, for example, impurity and grain-boundary scattering. Here, in this paper, we investigate the effect of ionized-impurity scattering on the carrier mobility. We model the analytical impurity potential parameterized from first principles by a collection of randomly distributed Coulomb scattering centers, and we include this relaxation channel into the ab initio Boltzmann transport equation, as implemented in the EPW code. We demonstrate this methodology by considering silicon, silicon carbide, and gallium phosphide, for which detailed experimental data are available. Our calculations agree well with experiments over a broad range of temperatures and impurity concentrations. For each compound investigated here, we compare the relative importance of electron-phonon scattering and ionized-impurity scattering, and we critically assess the reliability of Matthiessen's rule. We also show that an accurate description of dielectric screening and carrier effective masses can improve quantitative agreement with experiments.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Ice-Soil Mixtures: Visual and Near-Infrared Remote Sensing Techniques
The spectral properties of ice soil mixtures are reviewed. Water ice has an absorption coefficient which varies by several orders of magnitude in the visual and near infrared, and has several prominent overtone absorptions. Different wavelengths can be used to probe to different depths in the surface as well as for different mineral impurity concentrations. Empirical and/or theoretical models might be used to derive characteristics grain size of the ice or of the impurity minerals and to derive abundance of the ice and rock or soil components. Quantitative analysis of remotely obtained reflectance spectra can only be performed by using absorption features in the spectra of ice and soil, and not by broadband response. It is suggested that this might be done by special selection of several narrow band filters in the near infrared which will adequately define the ice absorptions.
Clark, R. N.↗
Theoretical Studies of the Surface Tension of Liquid Metal System
A major goal of this project is to understand the surface tension and other thermophysical properties of liquid metals and alloys from a fundamental viewpoint. The approach is to calculate these quantities by a first principles technique which combines the statistical-mechanical theory of the liquid state with an electronic pseudopotential theory of electrons in metals. The inhomogeneity of the surface is treated using an ionic-density-functional formalism developed with the support of NASA. Of particular interest are the variation of surface tension with temperature and impurity concentration: such variations strongly influence the types of convection which make take place in a low-gravity environment. Some progress has already been achieved in computing the reduction of surface tension due to the presence of low-surface-tension impurities, and the corresponding surface segregation of such impurities. In the coming year, it is planned to concentrate on the surface properties of materials of particular interest to the MSA program: Si, Ga and GaSn alloys. An additional goal is to gain some theoretical understanding of the high temperature thermophysical properties of liquid metals, particularly high melting point materials which have not been studied extensively from a theoretical viewpoint.
Stroud, D. G.↗
Analysis of scintillation light dependence on Liquid Argon purity in the ICARUS detector
Previous studies have investigated the correlation between impurities concentration in Liquid Argon (LAr) and the temporal evolution of either the slow scintillation decay time or the light yield.These impurities typically consist of various molecular species. Electronegative contaminants directly affect electron drift and photon production, while other molecules, such as nitrogen (N$_{2}$), can influence LAr scintillation properties without necessarily affecting electron lifetime.Many current and future neutrino and dark-matter experiments use LAr detectors. This study aims to evaluate the measured electron lifetime in relation to the timing characteristics of the scintillation light signal in the SBN ICARUS detector at Fermi National Accelerator Laboratory. The ICARUS detector consists of two cryostats that have shown different behaviors in the measured electron lifetime over the years. In particular, this study addresses the use of data collected under varying purity conditions in the two cryostats and presents the methodology used to extract scintillation timing characteristics and their correlation with LAr purity.
Saia, C. [Catania Astrophys. Observ.] (ORCID:00090↗
Analysis of scintillation light dependence on liquid Argon purity
Previous studies have investigated the correlation between impurity concentrations in Liquid Argon (LAr) and the temporal evolution of either the slow scintillation decay time or the light yield. These impurities typically consist of various molecular species. Electronegative contaminants directly affect electron drift and photon production, while other molecules, such as nitrogen (N_2),can influence LAr scintillation properties without necessarily affecting electron lifetime. Many current and future neutrino and dark-matter experiments use LAr detectors. This study aims to evaluate the measured electron lifetimes in relation to the timing characteristics of the scintillation light signal in the SBN ICARUS detector at Fermi National Accelerator Laboratory. The ICARUS experiment consists of two cryostats that have shown some discrepancies in the measured electron lifetime over the years. In particular, this study addresses the use of data collected under varying purity conditions in the two cryostats.
Saia, Clara [Catania Astrophys. Observ.]↗
Low cost processes for silicon
The paper describes the multiple process development of low cost processes for manufacture of silicon. A support program includes subtasks for the modeling of reactions and reactors, chemical engineering and solid-state physics studies, and development of impurity concentration measurement procedures. The preliminary economic analyses indicate total product costs ranging from $5.00 to $8.73/kg based on 1000 MT/yr plants. In the studies of impurity effects, a model which considers that degradations of solar cell performance by impurities are primarily due to decreases in base diffusion length was constructed from experimental data.
Lutwack, R.↗
Influence of Dust and Black Carbon on the Snow Albedo in the NASA Goddard Earth Observing System Version 5 Land Surface Model
Present-day land surface models rarely account for the influence of both black carbon and dust in the snow on the snow albedo. Snow impurities increase the absorption of incoming shortwave radiation (particularly in the visible bands), whereby they have major consequences for the evolution of snowmelt and life cycles of snowpack. A new parameterization of these snow impurities was included in the catchment-based land surface model used in the National Aeronautics and Space Administration Goddard Earth Observing System version 5. Validation tests against in situ observed data were performed for the winter of 2003.2004 in Sapporo, Japan, for both the new snow albedo parameterization (which explicitly accounts for snow impurities) and the preexisting baseline albedo parameterization (which does not). Validation tests reveal that daily variations of snow depth and snow surface albedo are more realistically simulated with the new parameterization. Reasonable perturbations in the assigned snow impurity concentrations, as inferred from the observational data, produce significant changes in snowpack depth and radiative flux interactions. These findings illustrate the importance of parameterizing the influence of snow impurities on the snow surface albedo for proper simulation of the life cycle of snow cover.
Yasunari, Teppei J.↗
Spectral albedos of midlatitude snowpacks
Spectral albedos of impure-nonhomogeneous snowpacks, typical of midlatitudes, from 400 to 2200 nm were modeled through a numerical solution of the radiative transfer equation in the two-stream approximation. Discrete depth-dependent values of density, grain size and impurity concentration were used to characterize the snowpacks. The model is for diffuse incident radiation, and the numerical method is based on doubling and invariant imbedding. The effect of soot impurities on snowpack albedos is illustrated when a snowpack is several centimeters deep and soot reduces the albedos at visible wavelengths, however, when a snowpack is only a few centimeters deep, soot may increase the albedos at visible wavelengths. By adjusting soot content and snow grain size, good quantitative agreement with some observations at the Cascade Mountains (Washington) and at Point Barrow (Alaska) are obtained; however, the model grain sizes are found to be fifty to four hundred percent larger than the measured values. For satellite snowcover observations, a model for effective albedo of partially snow-covered areas was developed and compared with some NOAA-2 observations of the southeastern United States.
Choudhury, B.↗
Multi-physics modeling of tungsten collector probe samples during the WEST C4 He campaign
Abstract We describe the results of a multi-scale, multi-physics modeling assessment of SOLPS-ITER, hPIC2, RustBCA and Xolotl, in which five single-crystal tungsten (W) samples were placed in a reciprocating collector probe and exposed to helium (He) plasma in the WEST fusion device. In our models, we considered a pure (100 %) He plasma, as well as one with oxygen (O) present (95% He 5% O) corresponding to the impurity concentration estimated during the C4 He campaign in WEST. Our SOLPS simulations approximately match experimental reciprocating Langmuir probe plasma measurements of plasma density and temperature. Using these plasma parameters as input, hPIC2 and RustBCA predict that the presence of oxygen impurities lead to a 15%–20% decrease in ion and heat fluxes to the surface, and an order of magnitude higher sputtering yields (compared with a pure He plasma). Xolotl predictions for the response of tungsten to plasma surface interactions (PSIs) agree with experimental LAMS analysis, and indicate large near-surface He concentrations, which quickly decay with depth. Our model also shows an increasing role of erosion—in removing the near-surface He—with time. Overall, slightly higher retention is predicted for tungsten exposed to a pure He plasma, with the largest differences in the near-surface gas content caused by the large oxygen-induced erosion. This highlights the important role that impurities play in PSI. Therefore, future work will focus on providing a fully self-consistent description of oxygen (and oxides, etc.) in our models, through multi-species implementation in GITR and inclusion of oxygen and tungsten oxide formation in Xolotl.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Sensitivity and fatigue of LiTaO3 for holographic recording
The sensitivity of LiTaO3 crystals to hologram formation has been observed to vary with impurity concentration. For a writing wavelength of 488.0 nm and power density of 1.1 W/sq cm, the sensitivity varied from a value comparable to the most sensitive doped LiNbO3 for an impure crystal to a value more than 5 orders of magnitude smaller for a purer crystal. Fatigue effects were observed upon write-erase cycling. These effects were dependent upon writing and erasure polarization and power density and could be minimized by proper choice of optical parameters.
Spinhirne, J. M.↗
Parameterization of electron attachment rate constants for impurities in LArTPC detectors
The ability of free electrons to drift long distances at high velocities in pure liquid argon under an applied electric field has been exploited for the past forty years to implement detectors with increasingly larger volumes for high energy physics research. The attachment of free electrons to impurities in the LAr is an important limit on the free instrumented volume of these extremely large detectors, and impurity concentrations as small as 100 ppt can reduce their resolution and efficiency. In this paper, we summarize the electron attachment rate constants as a function of the applied electric field, for common impurities in LArTPCs, obtained from data in the literature. Here, we further provide analytical functions to parameterize the data, which are useful to compare with new measurements, to model and analyze the performance of existing detectors, and to predict the performance of new detectors.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Advanced far infrared blocked impurity band detectors based on germanium liquid phase epitaxy
This research has shown that epilayers with residual impurity concentrations of 5 x 10(sup 13) cm(exp -3) can be grown by producing the purest Pb available in the world. These epilayers have extremely low minority acceptor concentrations, which is ideal for fabrication of IR absorbing layers. The Pb LPE growth of Ge also has the advantageous property of gettering Cu from the epilayer and the substrate. Epilayers have been grown with intentional Sb doping for IR absorption on lightly doped substrates. This research has proven that properly working Ge BIB detectors can be fabricated from the liquid phase as long as pure enough solvents are available. The detectors have responded at reach minimum wavenumbers. Optimization of the Sb doping concentration should further decrease the photoionization energy of these detectors. Ge BIB detectors have been fabricated that respond to 60 cm(exp -1) with low responsivity. Through reduction of the minority residual impurities, detector performance has reached responsivities of 1 A/W. These detectors have exhibited quantum efficiency and NEP values that rival conventional photoconductors and are expected to provide a much more sensitive tool for new scientific discoveries in a number of fields, including solid state studies, astronomy, and cosmology.
Olsen, C. S.↗
Comparison of reduced model predictions for divertor detachment onset and reattachment timescales in ASDEX Upgrade and JET experiments
Building on prior analysis of ASDEX Upgrade (AUG) experiments (Henderson et al 2023 Nucl. Fusion63 086024), this study compares simple analytical formula predictions for divertor detachment onset and reattachment timescales in JET experiments. Detachment onset primarily scales with divertor neutral pressure, impurity concentration, power directed to the targets, machine size, and integral perpendicular power decay length. JET experiments, focusing on seeding mixtures of Ne and Ar, align with the detachment onset predictions. Radiation efficiencies among the impurities show good agreement with the model predictions, contrasting with AUG observations which suggested higher efficiency for Ar and lower efficiency for Ne. The time taken to re-ionise the neutral volume in front of the outer target in fully detached divertor conditions was measured following both abrupt increases in injected neutral beam power and, separately, cutting of the impurity gas flow. Re-ionisation of the neutrals occurs within approximately 1 s on JET, which aligns with the simple model prediction derived from AUG data. While the AUG results are not new, their comparison with the JET results enhances understanding, reinforcing confidence in using simple models to predict future reactor scenarios.
JET↗
Moessbauer effect measurement in single crystal iron subjected to cyclic stress
Backscattered Moessbauer spectra were recorded at different fatigue levels in cyclically fatigued high-purity single-crystal iron specimens in the form of rectangular strips with appropriate concentrators in the midplane. The Moessbauer spectra were submitted to a least-squares analysis to determine the isomer shift, quadrupole shift, hyperfine field, and peak spectral widths in each spectrum. It is shown that the quadrupole shift and the isomer shift changed little with fatigue, whereas the effective internal field and the associate line widths exhibit significant variation as a function of fatigue level. It is concluded that the impurity concentration builds up slowly with increasing fatigue level in the region of stress concentration. Since there is a direct correlation between crack initiation and defect concentration level, it is expected that Moessbauer measurements in the test specimen can provide a means of monitoring the impurity buildup presumed to be the eventual cause of fatigue crack initiation and failure.
Singh, J. J.↗
Record performance in intrinsic, impurity-free lateral diamond photoconductive semiconductor switches
Photoconductive semiconductor switches (PCSSs) are fabricated on type IIa diamond substrates with varying boron and nitrogen impurity levels (<10 14 –10 16 cm –3 ). The photoresponse of lateral PCSS is reported over the incident laser wavelength range (212–240 nm), energy per pulse (5–65 μJ), and DC bias (–1.2 to +1.2 kV). The PCSS device with the lowest boron and nitrogen impurity concentration achieves the highest normalized responsivity of 9.1 × 10 –8 A-cm/W-V, peak photocurrent of 8.0 A, and on/off ratio of 2.3 × 10 11 at a DC bias of +1.2 kV with the potential for even higher currents at increased DC bias. All PCSS display fast rise times (<3 ns), limited by the laser's rise time. However, photoresponse measurements reveal that higher impurity levels reduce the photocurrent and decrease the on/off ratio. Furthermore, these results highlight the performance advantages of using low background concentration type IIa diamond substrates for PCSS fabrication and present a promising route toward advanced high-power, high-speed diamond-based switches.
42 ENGINEERING↗
Optimization of selenium in CdZnTeSe quaternary compound for radiation detector applications
X- and gamma-ray detectors are increasingly becoming essential tool for science and technology in various fields include homeland security, nonproliferation, nuclear security, medical imaging, astrophysics, and high energy physics. Cd 1-x Zn x Te 1-y Se y (CZTS) is emerging as a next-generation compound semiconductor for such applications. CZTS was found to possesses a very low concentration of Te inclusions and free from sub-grain boundary networks. Being a quaternary compound with varying alloy composition, optimization of the composition was performed to determine the minimum amount of selenium required to produce CZTS with reduced defects. The optimized composition was found to be x=0.10 and y=0.02, i.e., Cd 0.9 Zn0.1Te 0.98 Se 0.02 , for excellent material properties as a radiation detector. The resulting material was free from sub-grain boundary networks and with a highly reduced concentration of Te inclusions. The bulk dark resistivity obtained was in the range of 1-3x1010 ohm-cm with the highest achieved mobility-lifetime product of ~6.6x10-3 cm2/V for the optimized CZTS composition. Impurity analyses were performed by the Glow Discharge Mass Spectroscopy (GDMS) technique, and the results showed relatively high impurity concentrations compared to commercial detector-grade CdZnTe. Thus, CZTS has room for further improvement with additional purification of the starting materials.
36 MATERIALS SCIENCE↗