Effect of electrostatic field gradient in semiconductors with diffused impurities.
Electrostatic field gradient effect in semiconductors with diffused impurities investigated, using basic diffusion theory
SEMICONDUCTOR↗
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Impurity diffusion process for silicon semiconductors is fast and precise
Impurity diffusion process produces precision silicon semiconductor junctions economically and fast. Oxide is deposited on a silicon wafer and a controlled concentration of impurity atoms in gaseous form is simultaneously introduced into the reaction.
Mc ~louski, R. M.↗
Probing and controlling oxygen impurity diffusion in h -BN semi-bulk crystals
Combining its unique features of ultrawide bandgap (UWBG) and two-dimensional nature, h-BN has been explored for emerging applications such as deep ultraviolet optoelectronic devices and single photon emitters. One of the unusual applications of h-BN is for solid-state neutron detectors by utilizing the property of high thermal neutron capture cross section of B-10 as well as its UWBG properties. Although a record high detection efficiency of 59% has been attained by h-BN detectors, the understanding/minimization of defects and impurities is still needed to further advance the h-BN material and detector technologies. We report metal organic chemical vapor deposition growth and oxygen (O) impurity diffusion in thick h-BN. The diffusion coefficient (D) of O impurities has been measured via the evolution of an oxygen related emission with the etching depth, providing a value of D of ∼ 2 × 10−13 cm2/s at 1450 °C and supporting the interpretation that oxygen in h-BN is a substitutional donor. A multiple-buffer-layer approach was employed to mitigate to a certain degree the issue of oxygen diffusion from sapphire substrate during growth. It was demonstrated that the performance of h-BN neutron detectors fabricated from the wafer incorporating multiple buffer layers was significantly improved, as manifested by the enhanced thermal neutron detection efficiency. The advancement of the crystal growth technology of h-BN semi-bulk crystals creates applications in optoelectronic and power electronic devices utilizing the UWBG semiconductor properties of h-BN, while high efficiency h-BN neutron detectors have the potential to supplant the traditional He-3 gas detectors in various application areas by offering the obvious advantages of UWBG semiconductor technologies.
Physics↗
Computer simulation of impurity diffusion in silicon, part 1
The elementary classical models for idealized diffusion conditions are described, and the principles are then used in developing more realistic models. The practical models require some type of numerical analysis. The numerical techniques are outlined and details concerning their implementation are given. Some results are presented which were obtained with the computer programs implementing the numerical techniques with implicit and explicit methods. Special problems of impurity-rich interlayers forming between an oxide and silicon are considered. A set of computed curves for sheet resistance, junction depth, and oxide thickness for different diffusion schedules is included.
Gassaway, J. D.↗
Interaction of low-energy implanted atomic H with slow and fast diffusing metallic impurities in Si
The interaction of hydrogen, injected into silicon using low-energy ion bombardment, with slow (Ti and V) and fast (Cr and Au) diffusing impurities was investigated. It was found that this H ion bombardment of the Si surface was effective in reducing the electrically active concentration of only the fast diffusing impurities. The results are explained by damage enhanced diffusivity and surface gettering of the fast diffusing impurities.
Singh, R.↗
Effect of Confinement of SIA Cluster Diffusion by Impurities on Radiation Defect Accumulation due to 14MeV neutrons in Tungsten
Impurities acting as traps, reduce the self-interstitial atom (SIA) cluster mobility, thereby increasing recombination and in turn enhancing radiation-resistance of polycrystalline materials. However, at elevated temperatures, depending on SIA-trap (impurity) binding energy, SIA clusters may trap and detrap (detach) numerous times. In tungsten, SIA clusters of all sizes glide one-dimensionally (1D) along their Burgers vector direction. Hence, detrapped SIAs would retrace their path, confining their 1D-glide between traps. However, small SIA clusters can change the direction of their 1D-glide by overcoming a rotation barrier. In addition, impurities or solutes are known to reduce this barrier. A lower rotation barrier can result in detrapped SIA clusters that diffuse in a random 1D direction, effectively leading to 3D (net-3D) diffusion. Here we investigate the effect of two cases of SIA diffusion, namely confined-1D diffusion and net-3D diffusion, on the damage accumulation in polycrystalline tungsten under 14 MeV neutron irradiation using the object kinetic Monte Carlo method. Simulations were performed using cascade debris obtained from molecular dynamics simulations with primary knock-on atom (PKA) energies corresponding to 14 MeV neutrons. In the simulations with net-3D diffusion, SIA clusters of all sizes diffuse in a random 1D direction after the clusters detrap. While for the confined 1D diffusion case, SIA clusters larger than size 5 retain their original direction of 1D-glide. In both types of simulations, trapped vacancies are assumed to be permanently immobilized. Unexpectedly, the damage accumulation was lower with confined 1D diffusion than that with net-3D. We present a systematic comparison of the influence of the two cases of SIA diffusion on the radiation damage accumulation as a function of dose rate, detrapping barrier, and impurity concentration at 1025 K.
Accumulation and recovery of lattice damage, tungs↗
Diffusion of impurities into silicon from gaseous sources
Diffusion of impurities into silicon from gaseous sources
SILICON↗
Simultaneous reproduction of experimental profiles, fluxes, transport coefficients, and turbulence characteristics via nonlinear gyrokinetic profile predictions in a DIII-D ITER similar shape plasma
Experimental conditions obtained on the DIII-D tokamak in the ITER Similar Shape (ISS) have been compared extensively with nonlinear gyrokinetic simulation using the CGYRO code [Candy et al., J. Comput. Phys. 324, 73–93 (2016)] with comparisons spanning ion and electron heat fluxes, electron and impurity particle transport, and turbulent fluctuation levels and characteristics. Bayesian optimization techniques [Rodriguez-Fernandez et al., Nucl. Fusion 62(7), 076036 (2022)], combined with nonlinear gyrokinetics, have been used to obtain simultaneously Qi, Qe, and Γe flux-matched profiles that are found to be in good agreement with experimental profile measurements. Synthetic diagnostics were used to compare measured beam emission spectroscopy and correlation electron cyclotron emission turbulent fluctuations with nonlinear simulation. Although some disagreements exist, nonlinear simulations are found to be in generally good agreement with measured fluctuation levels, spectral shapes, and measured radial trends in low-k δne/ne and δTe/Te. Low (Li and C) and mid-Z (Ca) impurity transport was also compared with these flux-matched simulations. Fully stripped, low-Z impurities are well reproduced by the gyrokinetic modeling while clear disagreement exists in comparisons with mid-Z impurities. Nonlinear gyrokinetic investigation into the Z dependence of impurity transport in the ISS conditions is also performed, demonstrating clear trends of impurity diffusion with impurity Z (both D∝Z and D∝1/Z) that vary with the radial location studied. These trends are shown to result from the local dominance of ion temperature gradient or ∇n driven trapped electron mode turbulence and may contribute to the disagreement between simulation and experiment in mid-Z impurity transport. The results of this work represent one of the most complete validation studies of the gyrokinetic model performed to date and provide an example of new capabilities for predicting performance in future fusion devices.
Physics↗
Design considerations for silicon HLE solar cells
The high-low (H-L) junction in the emitter region that defines the high-low-junction emitter (HLE) solar cell suppresses the dark emitter recombination current J sub E so that the base recombination current dominates in determining the open-circuit voltage. For silicon cells this enables the achievement of considerably larger values of open-circuit voltage than those achievable in conventional structures. This paper describes experiments that demonstrate the achievement of J sub E suppression (to less than 5 x 10 to the -14th A/sq cm) and large open-circuit voltage (640 mV) in HLE test cells of two distinct types. In the first type (the diffused HLE structure) impurity diffusion forms the H-L junction in the emitter; in the second type (the oxide-charge-induced HLE structure) the H-L junction is formed in emitter material of relatively low doping concentration by an oxide-charge-induced electron accumulation layer.
Lindholm, F. A.↗
Albedo and flux extinction coefficient of impure snow for diffuse shortwave radiation
Impurities enter a snowpack as a result of fallout of scavenging by falling snow crystals. Albedo and flux extinction coefficient of soot contaminated snowcovers were studied using a two stream approximation of the radiative transfer equation. The effect of soot was calculated by two methods: independent scattering by ice grains and impurities and average refractive index for ice grains. Both methods predict a qualitatively similar effect of soot; the albedo is decreased and the extinction coefficient is increased compared to that for pure snow in the visible region; the infrared properties are largely unaffected. Quantitatively, however, the effect of soot is more pronounced in the average refractive index method. Soot contamination provides a qualitative explanation for several snow observations.
Choudhury, B. J.↗
Modeling the Effect of Hydrogen on Tungsten Grain Boundary Properties
The objective of this study is to assess the effect of hydrogen isotopes on mechanical properties of tungsten that are relevant to first-wall applications in a tokamak. We focus on the effects of hydrogen segregation to grain boundaries and its impact on the grain boundary structure and properties. Through molecular dynamics and other atomistic techniques, we are able to make predictions of grain boundary structure and properties related to it, including grain boundary mobility and impurity diffusivity along the grain boundary. The grain boundary structure can change significantly and abruptly as conditions change, including due to heating and radiation damage. These grain boundary phase transformations can have a pronounced effect on mobility and impurity diffusivity, even when no hydrogen is present. How this behavior changes in the presence of hydrogen is not known. The phase may affect the level of hydrogen segregation and hydrogen storage, and the hydrogen may induce significant grain boundary structure changes. Our objective is to predict whether they do. The results inform thermomechanical modeling of tungsten at tokamak conditions.
36 MATERIALS SCIENCE↗
Nature of contaminants introduced in silicon wafers during molecular beam epitaxy chamber annealing
Epitaxial monolithic III–V/Si tandem solar cells are one of the most promising technologies to be adopted by the industry after the efficiency of the current market dominating single junction silicon solar cell saturates at its fundamental limit. One of the key limitations of this technology is the degradation of silicon wafers during in situ annealing in the molecular beam epitaxy chamber. Determining the nature of contaminants in this process is key to improve the efficiency of epitaxial tandem solar cells. However, to date, the nature of contaminants from molecular beam epitaxy chambers remains unknown. In this work, we use photoluminescence imaging, lifetime spectroscopy, and deep level transient spectroscopy to measure the electronic properties of extrinsic impurities incorporated during annealing in the molecular beam epitaxy chamber. Photoluminescence images reveal that at least two impurities diffuse into silicon wafers during molecular beam epitaxy annealing. One is highly localized, while the other one is distributed uniformly across the whole wafer. Phosphorus diffusion is found to confine the localized impurity within the diffused layer but is ineffective at preventing the indiffusion of other impurities. Lifetime spectroscopy shows that metastable impurities with characteristic similar to Cr and CrB in our molecular beam epitaxy annealed silicon wafers. No evidence of Fe or FeB was observed. The emission rates and concentrations of the electrically active defects were measured with deep-level transient spectroscopy: The emission rates of detected defects do not match that of known Cr-related defects.
36 MATERIALS SCIENCE↗
Charge-state independent anomalous transport for a wide range of different impurity species observed at Wendelstein 7-X
Here, the plasma volume averaged impurity confinement of selected charge states and impurity species has been characterized for the Stellarator Wendelstein 7-X (W7-X), covering a wide range of atomic charges (Z = 12–44) and atomic masses (M = 28–184). A comparison of the experimental findings to theoretical neoclassical and turbulent transport expectations suggests, aside from/in addition to the neoclassical transport, an additional significant anomalous transport mechanism, which is not inconsistent with the predictions of a turbulence dominated impurity transport and is in agreement with the experimental results from recent transport studies based on the direct measurements of impurity diffusion profiles, performed at W7-X.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Polarized imaging of visible synchrotron emission from runaway electron plateaus in DIII-D
A new approach to estimate the pitch angle of highly energetic postdisruption runaway electrons is presented by imaging the polarized runaway electron synchrotron emission. The vertical to horizontal polarization ratio is found to range between 3 and 14 in image-average studies looking at repeated shots as well as the polarization in a single discharge. Numerical studies with guiding center and full orbit simulations performed with the SOFT and KORC codes are given and compared to the experiment. The pitch angle evolution analyzed using a 1D impurity diffusion model in combination with kinetic simulations is also presented. Furthermore, these studies find agreement in the magnitude of the pitch angle, but not in the temporal rate of change of pitch angle. The measured pitch angle evolution timescale of order 50 ms falls between a modeled timescale of 20 ms in an equilibrium model and >>100 ms in a nonequilibrium model.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Data on the comprehensive first-principles diffusion study of the aluminum-magnesium system
First-principles calculation of diffusion coefficients between Mg and Al is investigated comprehensively using density functional theory (DFT). The effect of different uncertainty sources arising from first principles calculations has been investigated systematically. These sources include the diffusion model, energetic, entropic and attempt frequency calculations. Variation in self and impurity diffusion coefficients of Mg and Al in stable phases are quantified using different DFT settings and compared with the experiments. Using the optimal DFT settings, diffusion coefficients in metastable phases of Al and Mg are predicted. The dataset refers to “An integrated experimental and computational study of diffusion and atomic mobility of the aluminum-magnesium system” [1].
36 MATERIALS SCIENCE↗
Dependence of the impurity transport on the dominant turbulent regime in ELM-y H-mode discharges on the DIII-D tokamak
Laser blow-off injections of aluminum and tungsten have been performed on the DIII-D tokamak to investigate the variation of impurity transport in a set of dedicated ion and electron heating scans with a fixed value of the external torque. The particle transport is quantified via the Bayesian inference method, which, constrained by a combination of a charge exchange recombination spectroscopy, soft X-ray measurements, and VUV spectroscopy provides a detailed uncertainty quantification of transport coefficients. Contrasting discharge phases with a dominant electron and ion heating reveal 3-fold drop in the impurity confinement time and order of magnitude increase in midradius impurity diffusion, when additional electron heating is applied. Further, the calculated stationary aluminum density profiles reverse from peaked in electron heated to hollow in the ion heated case, following a similar trend as electron and carbon density. Comparable values of a core diffusion have been observed for W and Al ions, while differences in the propagation dynamics of these impurities are attributed to pedestal and edge transport. Modeling of the core transport with non-linear gyrokinetics code CGYRO, significantly underpredicts the magnitude of the variation in Al transport. Diffusion increases 3-times steeper with additional electron heat flux and 10-times lower diffusion is observed in ion heated case than predicted by the modeling. Here, the CGYRO model quantitatively matches the increase of the Al diffusion when approaching the linear threshold for the transition from the ion temperature gradient (ITG) to trapped electron mode (TEM).
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Multi-X-point radiation and its dynamics in up/down asymmetry in plasma detachment regimes in Wendelstein 7-X
In Wendelstein 7-X (W7-X), stable plasma detachment in ECRH hydrogen plasmas is routinely achieved with the standard magnetic configuration, containing five magnetic islands in the scrape-off layer (SOL). Plasma detachment induced by intrinsic carbon impurities is characterized by a high radiation fraction (ƒ rad ) with significantly reduced divertor heat load and particle flux. In this work, we present the radiation dynamics during the detached plasma (DP) phase, such as the shift of radiation zones in radial and poloidal directions towards the X-points as ƒ rad increases (∼0.6–0.9), as well as the penetration of the radiation layer into the confinement region in the deep DP phase with ƒ rad approaching unity. In particular, a structure of multi-X-point radiation (multi-XPR) with an up/down asymmetry in the DP phase is highlighted, which is revealed by bolometer tomography and is further confirmed by video diagnostics. The multi-XPR structure forms helical 3D bands aligned with W7-X field periodicity. Field reversal experiments show that the brightest XPR displaces between the upper and lower SOL regions, suggesting the E× B drift effects. This paper presents the multi-XPR structure observed in the W7-X plasma in detail for the first time. A simplified model considering the influence of the poloidal E× B drift ( V d ) on the impurity flow in the SOL shows that the downstream drift toward the target or target shadow region ( V d < 0) decreases the impurity content, while the upstream drift toward the LCFS ( V d > 0) increases the impurity content. On this basis, the poloidal drift potentially leads to an up/down asymmetry of impurity density in the SOL despite the symmetry magnetic topology. The dynamics of the up/down asymmetry in the multi-XPR structure is also related to the magnitude V d /D (normalized to the impurity diffusivity), with an additional effect owing to the radial inward shift of the emission zone. These results provide new insights into impurity-induced detachment dynamics and provide a basis for improving 3D modeling of impurity transport, which typically does not consider drifts.
E × B drift↗
Effect of TiN coating on suppressing Ce-Fe interaction under irradiation
Advanced cladding is critical for fast reactors with the adequate thermal conductivity, mechanical stability and radiation tolerance of the cladding base material, corrosion resistance and high temperature coolant compatibility of the cladding surface, and chemical stability of the cladding inner wall against fuel cladding chemical interaction (FCCI). The preliminary results of recent ion irradiation studies of two diffusion-couple samples of cerium (Ce)/oxide-dispersion strengthened steel (ODS) and Ce/TiN/ODS, irradiated with 80 MeV xenon (Xe) ions to 100 displacements per atom (dpa) at 500°C, are summarized. Significant Ce-Fe interaction occurred in the Ce/ODS sample, and no noticeable Ce-Fe interaction was found in the Ce/TiN/ODS sample. It shows the effectiveness of 1-µm TiN diffusion barrier coated by the pulsed laser deposition on suppressing Ce-Fe interaction, a major contributor to FCCI in cladding. Here, density function theory (DFT) calculations of the impurity diffusivities of Ce and Fe within the Ti sublattice of TiN were performed to assist a mechanistic understanding of the experimental results.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗