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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Normal and inverse bulk spin valve effects in single-crystal ruthenates

The current-perpendicular-to-plane magnetoresistivity (CPP-MR)/ρ c (B) is investigated in single crystal ruthenates Ca 3 (Ru 1-x Ti x ) 2 O 7 (x = 0.02). This material is naturally composed of ferromagnetic metallic bilayers (Ru,Ti)O 2 separated by nonmagnetic insulating layers of Ca 2 O 2 , resulting in tunneling magnetoresistivity. Non-monotonic ρ c (B) curves as well as the inverse spin valve effect are observed around the magnetic phase transition associating with the metal-to-insulator transition. A spin dependent tunneling model with alternate distribution of hard and soft magnetic layers [(Ru,Ti)O 2 ] is proposed to explain the exotic CPP-MR behavior. Finally, this eccentric CPP-MR behavior highlights the strong spin-charge coupling in double-layered ruthenates and provides a potential material for spintronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Synchrotron-based investigation of transition-metal getterability in n-type multicrystalline silicon

Solar cells based on n-type multicrystalline silicon (mc-Si) wafers are a promising path to reduce the cost per kWh of photovoltaics; however, the full potential of the material and how to optimally process it are still unknown. Process optimization requires knowledge of the response of the metal-silicide precipitate distribution to processing, which has yet to be directly measured and quantified. To supply this missing piece, we use synchrotron-based micro-X-ray fluorescence (μ-XRF) to quantitatively map >250 metal-rich particles in n-type mc-Si wafers before and after phosphorus diffusion gettering (PDG). We find that 820°C PDG is sufficient to remove precipitates of fast-diffusing impurities and that 920°C PDG can eliminate precipitated Fe to below the detection limit of μ-XRF. Thus, the evolution of precipitated metal impurities during PDG is observed to be similar for n- and p-type mc-Si, an observation consistent with calculations of the driving forces for precipitate dissolution and segregation gettering. Measurements show that minority-carrier lifetime increases with increasing precipitate dissolution from 820°C to 880°C PDG, and that the lifetime after PDG at 920°C is between the lifetimes achieved after 820°C and 880°C PDG.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Opto-electronic properties of P-doped nc-Si–QD/a-SiC:H thin films as foundation layer for all-Si solar cells in superstrate configuration

With the advent of nc-Si solar cells having improved stability, the efficient growth of nc-Si i-layer of the top cell of an efficient all-Si solar cell in the superstrate configuration prefers nc-Si n-layer as its substrate. Accordingly, a wide band gap and high conducting nc-Si alloy material is a basic requirement at the n-layer. Present investigation deals with the development of phosphorous doped n-type nanocrystalline silicon quantum dots embedded in hydrogenated amorphous silicon carbide (nc-Si–QD/a-SiC:H) hetero-structure films, wherein the optical band gap can be widened by the presence of Si–C bonds in the amorphous matrix and the embedded high density tiny nc-Si–QDs could provide high electrical conductivity, particularly in P-doped condition. The nc-Si–QDs simultaneously facilitate further widening of the optical band gap by virtue of the associated quantum confinement effect. A complete investigation has been made on the electrical transport phenomena involving charge transfer by tunneling and thermionic emission prevailing in n-type nc-Si–QD/a-SiC:H thin films. Their correlation with different phases of the specific heterostructure has been carried out for detailed understanding of the material, in order to improve its device applicability. The n-type nc-Si–QD/a-SiC:H films exhibit a thermally activated electrical transport above room temperature and multi-phonon hopping (MPH) below room temperature, involving defects in the amorphous phase and the grain-boundary region. The n-type nc-Si–QD/a-SiC:H films grown at ∼300 °C, demonstrating wide optical gap ∼1.86–1.96 eV and corresponding high electrical conductivity ∼4.5 × 10{sup −1}–1.4 × 10{sup −2} S cm{sup −1}, deserve to be an effective foundation layer for the top nc-Si sub-cell of all-Si solar cells in n-i-p structure with superstrate configuration.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Simultaneous diagnosis of radial profiles and mix in NIF ignition-scale implosions via X-ray spectroscopy

In a National Ignition Facility implosion, hydrodynamic instabilities may cause the cold material from the imploding shell to be injected into the hot-spot (hot-spot mix), enhancing the radiative and conductive losses, which in turn may lead to a quenching of the ignition process. The bound-bound features of the spectrum emitted by high-Z ablator dopants that get mixed into the hot-spot have been previously used to infer the total amount of mixed mass; however, the typical errorbars are larger than the maximum tolerable mix. We present in this paper an improved 2D model for mix spectroscopy which can be used to retrieve information on both the amount of mixed mass and the full imploded plasma profile. By performing radiation transfer and simultaneously fitting all of the features exhibited by the spectra, we are able to constrain self-consistently the effect of the opacity of the external layers of the target on the emission, thus improving the accuracy of the inferred mixed mass. The model's predictive capabilities are first validated by fitting simulated spectra arising from fully characterized hydrodynamic simulations, and then, the model is applied to previously published experimental results, providing values of mix mass in agreement with previous estimates. Finally, we show that the new self consistent procedure leads to better constrained estimates of mix and also provides insight into the sensitivity of the hot-spot spectroscopy to the spatial properties of the imploded capsule, such as the in-flight aspect ratio of the cold fuel surrounding the hotspot.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Prospects for n -type doping of (Al x Ga 1– x ) 2 O 3 alloys

Here we systematically explore the properties of group-IV (C, Si, Ge, and Sn) and transition metal (Hf, Zr, and Ta) dopants substituting on the cation site in (Al x Ga 1– x ) 2 O 3 (AlGO) alloys using first-principles calculations with a hybrid functional. In Ga 2 O 3 , each of these dopants acts as a shallow donor. In Al 2 O 3 , they are deep defects characterized by the formation of either DX centers or positive- U (+/0) levels. Combining our calculations of dopant charge-state transition levels with information of the AlGO alloy band structure, we estimate the critical Al composition at which each dopant transitions from being a shallow to a deep donor. We identify Si to be the most efficient dopant to achieve n -type conductivity in high Al-content AlGO alloys, acting as a shallow donor over the entire predicted stability range for AlGO solid solution alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2020

The role of water vapor during the synthesis of hydrogen doped In 2 O 3

Hydrogen-doped In 2 O 3 synthesized using magnetron sputtering or atomic layer deposition in the presence of water vapor has high transparency in the near infra-red region and mobility values that are almost three to four times of those in commercially used In 2 O 3 :Sn at a much lower carrier concentration. However, simple questions like what happens when water molecules enter In 2 O 3 or why the dominant charge carrier changes from an oxygen vacancy in In 2 O 3 :Sn to H + in In 2 O 3 are not clear. Using hybrid functional based density functional theory calculations, in this study we show that water molecules spontaneously split into H + and OH – . The H + interstitial bonds with an oxygen in In 2 O 3 , and the OH – interstitial occupies a vacant lattice site or is trapped by an oxygen vacancy. Thus, in agreement with experimental findings, our results suggest that the concentration of oxygen vacancies decreases as the partial pressure of water increases. The charge transition level, ϵ ( – / + ) , of a hydrogen interstitial and the Fermi level at which the formation energies of OH – and H + are equal lie above the conduction band minimum, suggesting that the H + interstitial has a lower formation energy. In addition, water molecules do not exhibit any propensity to form clusters, meaning that H + ions can diffuse and remain spatially separated from each other.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Fluctuating magnetism of Co- and Cu-doped NaFeAs

We report an x-ray emission spectroscopy study of the local fluctuating magnetic moment (μbare) in NaFe 1-x Co x As and NaFe 1-x Cu x As. In NaFeAs, the reduced height of the As ions induces a local magnetic moment higher than BaFe 2 As 2 despite lower TN and ordered magnetic moment. As NaFeAs is doped with Co, μbare is slightly reduced, whereas Cu doping leaves it unaffected, indicating a different doping mechanism: based on electron counting for Co, whereas impurity scattering dominates in the case of Cu. Finally, we observe an increase in μbare with temperature in all samples as observed in electron- and hole-doped BaFe 2 As 2 . Since both Co and Cu doping display superconductivity, our findings demonstrate that the formation of Cooper pairs is not connected with the complete loss of fluctuating paramagnetic moments.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Enhanced extreme ultraviolet high-harmonic generation from chromium-doped magnesium oxide

High-order harmonic generation (HHG) from crystals is emerging as a new ultrashort source of coherent extreme ultraviolet (XUV) light. Doping the crystal structure can offer a new way to control the source properties. Here, we present a study of HHG enhancement in the XUV spectral region from an ionic crystal, using dopant-induced vacancy defects, driven by a laser centered at a wavelength of 1.55 μm. Our numerical simulations based on solutions of the semiconductor Bloch equations and density-functional theory are supported by our experimental observations and demonstrate an increase in the XUV high harmonic yield from doped bulk magnesium oxide (MgO) compared to undoped MgO, even at a low defect concentration. The anisotropy of the harmonic emission as a function of the laser polarization shows that the pristine crystal's symmetry is preserved. Our study paves the way toward the control of HHG in solids with complex defects caused by transition-metal doping.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Optical constants of polycrystalline Al 0.25 Ga 0.75 P and Al 0.9 Ga 0.1 As determined by variable-angle spectroscopic ellipsometry

The optical constants of single-crystal Al x Ga 1-x P and Al x Ga 1-x As have been widely studied at various Al compositions but have not yet been thoroughly investigated as polycrystalline materials. Using variable-angle spectroscopic ellipsometry, we estimate and analyze the optical constants of polycrystalline Al 0.25 Ga 0.75 P and Al 0.9 Ga 0.1 As that were non-epitaxially deposited at deposition temperatures of either 250 or 420 °C, and with various dopant species, dopant concentrations, and V/III flux ratios. Here, for wavelengths of 350–400 nm, decreasing the V/III ratio increases the refractive index of Be-doped polycrystalline Al 0.25 Ga 0.75 P. For wavelengths >500 nm, as the targeted Be dopant concentration increases for polycrystalline Al 0.25 Ga 0.75 P, the amount the extinction coefficient increases and the indirect bandgap decreases depends on the V/III ratio. Furthermore, Si-doped polycrystalline Al 0.25 Ga 0.75 P has significantly smaller extinction coefficient values than when it is Be-doped, for the same V/III ratio and targeted doping concentration, at wavelengths >500 nm. Based on our findings, we hypothesize that the dopant species, dopant concentration, and the V/III ratio dictate various types of defect concentrations, which then affect the optical constants and indirect bandgap of polycrystalline Al 0.25 Ga 0.75 P. Additionally, for wavelengths >500 nm, we find that polycrystalline Al 0.25 Ga 0.75 P and Al 0.9 Ga 0.1 As have the lowest extinction coefficient values when deposited at 420 °C, as opposed to 250 °C. Thus, we hypothesize that the deposition temperature is the most significant factor in dictating the optical constants of these polycrystalline III-Vs. Ultimately, this work demonstrates alternative methods to tune the optical constants of polycrystalline Al 0.25 Ga 0.75 P and Al 0.9 Ga 0.1 As, as opposed to tuning the Al composition.

42 ENGINEERING↗
DOE OSTI2023

Effect of Mg doping on carrier recombination in GaN

Time-resolved photoluminescence measurements have been performed on Mg-doped GaN for Mg concentrations in the low- to mid-10 19 cm -3 . As-grown and annealed (600–675 °C) samples were studied. In the as-grown samples, the nonradiative carrier lifetime was found to be about 200 ps and nearly independent of the Mg concentration. Upon annealing, the carrier lifetimes shorten to ~150 ps but, again, show little dependence on the annealing temperature. The analysis of possible Shockley–Read–Hall recombination centers and their behavior during doping and annealing suggests that the main nonradiative recombination center is the Mg–nitrogen vacancy complex. The weak dependence of the PL decay times on temperature indicates that carrier capture into this center has a very low potential barrier, and the nonradiative recombination dominates even at low temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Dislocation half-loop control for optimal V-defect density in GaN-based light emitting diodes

V-defects are morphological defects that typically form on threading dislocations during epitaxial growth of $(0001)$-oriented GaN layers. A V-defect is a hexagonal pyramid-shaped depression with six {$10\bar{1}1$}-oriented sidewalls. These semipolar sidewalls have a lower polarization barrier than the polarization barriers present between the polar c-plane quantum wells and quantum barriers and can laterally inject carriers directly into quantum wells in GaN-based light emitting diodes (LEDs). This is especially important, as the high polarization field in c-plane GaN is a significant factor in the high forward voltage of GaN LEDs. The optimal V-defect density for efficient lateral carrier injection in a GaN LED (∼10 9 cm −2 ) is typically an order of magnitude higher than the threading dislocation density of GaN grown on patterned sapphire substrates (∼10 8 cm −2 ). Pure-edge dislocation loops have been known to exist in GaN, and their formation into large V-defects via low-temperature growth with high Si-doping has recently been studied. Here, in this work, we develop a method for pure-edge threading dislocation half-loop formation and density control via disilane flow, growth temperature, and thickness of the half-loop generation layer. We also develop a method of forming the threading dislocation half-loops into V-defects of comparable size to those originating from substrate threading dislocations.

Crystallographic defects↗
DOE OSTI2020

22 K superconductivity in Ba Fe 2 As 2 exposed to F 2

Several previous reports on undoped AEFe 2 As 2 (AE = alkaline earth metal) point to drops in resistivity indicative of possible superconductivity and some degree of Meissner effect in the magnetic susceptibility. Also, based on both resistivity and magnetic susceptibility measurements, controlled exposure to water vapor has been shown to induce superconductivity in AEFe 2 As 2 . In our study, BaFe 2 As 2 single crystals grown using the self-flux method showed a full resistive drop around 22 K and magnetic shielding, when exposed to fluorine gas postgrowth. Our measurements indicate electron (donor) doping via atomic substitution of F for As is concurrent with the observed superconductivity, which sheds light on the likely effect of exposure to water vapor in previous work. Like doping experiments (such as substitution of Co for Fe, P for As, or K for Ba) in AEFe 2 As 2 to date, the present work is consistent with suppression of the spin density wave transition coincident with the appearance of T c . In addition to answering the puzzle of superconductivity in undoped or water vapor exposed AEF 2 As 2 , our results also represent a fast (20 min exposure to 5% F in He) and reliable method suitable for inducing superconductivity in thin films of AEFe 2 As 2 . As a result, some supportive work on BaFe 2 As 2 exposed to Cl 2 is also presented.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Doping engineering: Next step toward room temperature performance of terahertz quantum cascade lasers

We hereby offer a comprehensive analysis of various factors that could potentially enable terahertz quantum cascade lasers (THz QCLs) to achieve room temperature performance. We thoroughly examine and integrate the latest findings from recent studies in the field. Our work goes beyond a mere analysis; it represents a nuanced and comprehensive exploration of the intricate factors influencing the performance of THz QCLs. Through a comprehensive and holistic approach, we propose novel insights that significantly contribute to advancing strategies for improving the temperature performance of THz QCLs. This all-encompassing perspective allows us not only to present a synthesis of existing knowledge but also to offer a fresh and nuanced strategy to improve the temperature performance of THz QCLs. We draw new conclusions from prior works, demonstrating that the key to enhancing THz QCL temperature performance involves not only optimizing interface quality but also strategically managing doping density, its spatial distribution, and profile. This is based on our results from different structures, such as two experimentally demonstrated devices: the spit-well resonant-phonon and the two-well injector direct-phonon schemes for THz QCLs, which allow efficient isolation of the laser levels from excited and continuum states. In these schemes, the doping profile has a setback that lessens the overlap of the doped region with the active laser states. Our work stands as a valuable resource for researchers seeking to gain a deeper understanding of the evolving landscape of THz technology. Furthermore, we present a novel strategy for future endeavors, providing an enhanced framework for continued exploration in this dynamic field. This strategy should pave the way to potentially reach higher temperatures than the latest records reached for T max of THz QCLs.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Magnetic excitations in infinite-layer nickelates

The discovery of superconductivity in infinite-layer nickelates brings us tantalizingly close to a material class that mirrors the cuprate superconductors. We measured the magnetic excitations in these nickelates using resonant inelastic x-ray scattering at the Ni L 3 -edge. Undoped NdNiO 2 possesses a branch of dispersive excitations with a bandwidth of approximately 200 milli–electron volts, which is reminiscent of the spin wave of strongly coupled, antiferromagnetically aligned spins on a square lattice. The substantial damping of these modes indicates the importance of coupling to rare-earth itinerant electrons. Upon doping, the spectral weight and energy decrease slightly, whereas the modes become overdamped. Our results highlight the role of Mottness in infinite-layer nickelates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗