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Results for “low defect density”

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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Injection mechanisms in a III -nitride light-emitting diode as seen by self-emissive electron microscopy

Here, we report on the investigation of an electrically biased high efficiency green III-nitride light-emitting diode (LED) by electron emission microscopy (EEM) using a low-energy electron microscope (LEEM). The surface of the LED was activated to negative electron affinity via deposition of a submonolayer of Cs. With the illumination column of the LEEM turned off, upon electrical injection of the LED, we directly image the hot electrons generated by eeh Auger-Meitner nonradiative processes that diffuse through the top p-Ga N layer and emit out the surface of the biased LED. By determining the source of emitted electrons using complementary electron emission spectroscopy measurements, EEM allows us to effectively map the carrier density within the LED. Using EEM, we observed nonelectron emitting regions with a density of approximately 3 × 10 8 cm -2 , identified as V-shaped defects (V-defects). This is confirmed through the corresponding dark spots of panchromatic cathodoluminescence measurements of the same sample and by plan-view transmission electron microscopy. The absence of electron emission at the sidewall of the V-defects can be attributed to several factors, including reduced carrier density in the sidewall quantum wells due to carriers traveling fast through the semipolar sidewalls before being injected into the planar quantum wells, the reduced population of hot electrons surviving diffusion through the thicker p-GaN filling in the V-defect before emission onto vacuum, and a smaller Auger-Meitner coefficient for the low In content semipolar sidewall quantum wells. The stronger electron emission observed at the ridges of most V-defects compared to the planar quantum well regions indicates larger local injected carrier densities, confirming that V-defect sidewalls allow for strong lateral carrier injection when compared to the weaker vertical injection away from the V-defect as evidenced by the weaker electron emission intensity away from the V-defects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Re-examining the silicon self-interstitial charge states and defect levels: A density functional theory and bounds analysis study

The self-interstitial atom (SIA) is one of two fundamental point defects in bulk Si. Isolated Si SIAs are extremely difficult to observe experimentally. Even at very low temperatures, they anneal before typical experiments can be performed. Given the challenges associated with experimental characterization, accurate theoretical calculations provide valuable information necessary to elucidate the properties of these defects. Previous studies have applied Kohn–Sham density functional theory (DFT) to the Si SIA, using either the local density approximation or the generalized gradient approximation to the exchange-correlation (XC) energy. The consensus of these studies indicates that a Si SIA may exist in five charge states ranging from -2 to +2 with the defect structure being dependent on the charge state. This study aims to re-examine the existence of these charge states in light of recently derived “approximate bounds” on the defect levels obtained from finite-size supercell calculations and new DFT calculations using both semi-local and hybrid XC approximations. We conclude that only the neutral and +2 charge states are directly supported by DFT as localized charge states of the Si SIA. Within the current accuracy of DFT, our results indicate that the +1 charge state likely consists of an electron in a conduction-band-like state that is coulombically bound to a +2 SIA. Furthermore, the -1 and -2 charge states likely consist of a neutral SIA with one and two additional electrons in the conduction band, respectively.

36 MATERIALS SCIENCE↗
NASA NTRS1984

Stress studies in EFG

Electrical characterization of defects induced in FZ and CZ silicon stress in four-point bending above 1200 C was started. Techniques to study electrical activity that will permit correlation of defect activity with diffusion length and with room and low temperature EBIC are being developed. Preliminary characterization of defects in ribbon grown at very low speeds of less than 1 cm/min shows that the dislocation density is very low over significant regions of cross section, while regions of high dislocation density (approx. 5 x 10(6)/cm(2)) occur in bands in a number of places. Addition measurements of stress distributions in EFG material were obtained at the University of Illinois using shadow-Moire interferometry.

Source record↗
NASA NTRS1993

An acoustic charge transport imager for high definition television applications

This report covers: (1) invention of a new, ultra-low noise, low operating voltage APD which is expected to offer far better performance than the existing volume doped APD device; (2) performance of a comprehensive series of experiments on the acoustic and piezoelectric properties of ZnO films sputtered on GaAs which can possibly lead to a decrease in the required rf drive power for ACT devices by 15dB; (3) development of an advanced, hydrodynamic, macroscopic simulator used for evaluating the performance of ACT and CTD devices and aiding in the development of the next generation of devices; (4) experimental development of CTD devices which utilize a p-doped top barrier demonstrating charge storage capacity and low leakage currents; (5) refinements in materials growth techniques and in situ controls to lower surface defect densities to record levels as well as increase material uniformity and quality.

Hunt, William D.↗
NASA NTRS1989

Low earth orbital atomic oxygen simulation for materials durability evaluation

The erosion yields of numerous materials have been evaluated in low earth orbital space tests. There appears to be three classes of materials: materials of high erosion yield which include most of the hydrocarbon organic materials; materials which either do not react with atomic oxygen or form self-protecting oxides which allow the underlying material to appear durable to atomic oxygen, and materials with low but nonnegligeable erosion yields, such as fluoropolymers. A NASA atomic oxygen effects test program has been established to utilize collective data from a multitude of simulation facilities to promote an understanding of mechanism and erosion yield dependencies. Atomic oxygen protective coatings for Kapton polymide solar array blankets, fiberglass-epoxy composite mast structures, and solar dynamic power system concentrator surfaces have been identified and evaluated under atomic oxygen exposure in RF plasma asher laboratory tests. The control of defect density in protective coatings appears to be the key to the assurance of long-term protection of oxidizable materials in low earth orbit.

Banks, Bruce A.↗
NASA NTRS1983

Experimental measurements of the plasma sheath around pinhole defects in a simulated high-voltage solar array

An emissive Langmuir probe was used to measure the potentials within the plasma sheath developed around a hole in a simulated solar array at voltages between 50 and 450 V. The hole sizes were larger than actual pinhole defects; the plasma density was in the 10,000 per cu cm range, which is considerably lower than the density of 1,000,000 per cu cm found at low-earth-orbit altitudes. Despite these inadequacies in the simulation, the experiments indicate that this type of probe is a useful diagnostic technique for investigating the plasma sheaths developing around pinhole defects.

Gabriel, S. B.↗
DOE OSTI2022

Boundary characterization using 3D mapping of geometrically necessary dislocations in AM Ta microstructure

Additive manufacturing (AM) of high strength metallic materials produces microstructures and defects that deviate substantially from those created through conventional manufacturing methods. It has recently been demonstrated that with application of extreme energy densities, a high-temperature refractory metal, tantalum (Ta), can be printed to a fully dense state with exceptionally low porosity. Here we employ a combination of three-dimensional electron backscattered diffraction (EBSD) TriBeam technology and crystallographic geometrically necessary dislocation (GND) theory to characterize the microstructure and defect boundaries of this unusual AM product. Two-dimensional (2D) EBSD and these three-dimensional (3D) measurements indicate that the microstructure of AM Ta is highly oriented <111> along the build direction, yet at the same time contains large crystallographic orientation gradients that span mm’s across the build. Crystallographic GND density analysis of the 3D microstructure reveals that highly misoriented subboundaries exist within this strongly textured microstructure that have large dislocation densities of 1×10 16 m –2 , just as large as those comprising the high-angle grain boundaries (HAGBs) in the same material. The 3D crystallographic GND density mapping reveals these subboundaries are part of a complex, finely spaced network that extends throughout the entire microstructure. Here, the orientation of these boundaries can be related to the scan strategy used during printing. TEM measurements corroborate an extremely high dislocation density at the microscale and indicate a cell-like dislocation network structure existing in the AM Ta at the sub-μm scale.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Electronically induced defect creation at semiconductor/oxide interface revealed by time-dependent density functional theory

Carrier induced defect creation at the semiconductor-oxide interface has been known as the origin of electronic device degradation for a long time, but how exactly the interface lattice can be damaged by carriers (especially low-energy ones) remains unclear. Here we carry out real-time time-dependent density functional theory simulations on concrete Si/SiO 2 interfaces to study the interaction between excited electrons and interface bonds. We show that the normal interface Si-H bonds are generally resistant to electrons due to the delocalized nature and high energy level of the Si-H antibonding states, and due to the high-energy barrier to break the Si-H bond. However, if an additional hydrogen atom exists by attaching to a nearby oxygen atom (forming a “Si-H···H-O” complex), the Si-H bond will be greatly weakened, including the reduction of energy barrier for bond breaking, and the lowering of the antibonding state energy level which favors electron injection. Together with the multiple vibrational excitation process, the corresponding Si-H bond can be broken much more easily. Thus we propose that the Si-H···H-O complex will be the center for defect creation and device degradation. Finally, we also explain why such a center might be relatively easy to form during the hydrogen annealing process.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1982

Analysis of defect structure in silicon. Silicon sheet growth development for the large area silicon sheet task of the Low-Cost Solar array Project

One hundred ninety-three silicon sheet samples, approximately 880 square centimeters, were analyzed for twin boundary density, dislocation pit density, and grain boundary length. One hundred fifteen of these samples were manufactured by a heat exchanger method, thirty-eight by edge defined film fed growth, twenty-three by the silicon on ceramics process, and ten by the dendritic web process. Seven solar cells were also step-etched to determine the internal defect distribution on these samples. Procedures were developed or the quantitative characterization of structural defects such as dislocation pits, precipitates, twin & grain boundaries using a QTM 720 quantitative image analyzing system interfaced with a PDP 11/03 mini computer. Characterization of the grain boundary length per unit area for polycrystalline samples was done by using the intercept method on an Olympus HBM Microscope.

Natesh, R.↗
DOE OSTI2021

Evaluation of Low-Pressure-Sintered Multi-Layer Substrates for Medium-Voltage SiC Power Modules: Preprint

Direct-bonded aluminum (DBA) multi-layer substrates have been fabricated using low-pressure silver sintering. These multi-layer substrates can be used to reduce the peak electric field strength inside power modules. This benefit is particularly important for medium-voltage silicon carbide (SiC) MOSFETs due to their higher operating voltages. The voiding content and defect density of the bond used to create the multi-layer substrate stackup is critical to the thermal performance and reliability of the power module. This work two low-pressure-assisted sintering techniques; one using nano-silver preform and the other using nano-silver paste to bond 23 mm by 49 mm DBA substrates. Scanning acoustic microscopy (C-SAM) is used to evaluate the bond quality after sintering. To evaluate the reliability of the sintered multi-layer substrates, passive thermal cycling from –40 °C to 200 °C was performed. Cross-sections were cut at pre-determined intervals and imaged with Scanning Electron Microscopy (SEM). After 1,000 thermal cycles, minor cracking was observed, but no failures have occurred.

28 EE - Advanced Manufacturing Office (EE-5A)↗
DOE OSTI2026

First constraints on causal sources of primordial gravitational waves from BICEP/Keck, SPTpol, SPT-3G, Planck and WMAP $B$-mode data

Non-inflationary sources of gravitational waves in the early Universe generically predict causality-limited tensor power spectra at low frequencies. We report the first-ever constraints on such sources based on cosmic microwave background (CMB) $B$-mode polarization measurements. Using data from BICEP/Keck, SPTpol, SPT-3G, Planck, and WMAP, we constrain the amplitude of an early causal tensor (ECT) power spectrum parameterized by $r_{ect}$, the ratio of causal tensor power to total scalar power at $k~=~0.01$ Mpc$^{-1}$, and obtain a 95% CL upper limit of $r_{ect}<$ 0.0077. Since $r_{ect}$ can easily be related to the parameters of a given theory, our bound robustly constrains a broad class of well-motivated gravitational wave sources in the early universe, including first-order cosmological phase transitions, enhanced small-scale density perturbations, and various topological defects. Finally, we translate our limit into a bound on the present-day energy density in gravitational waves at ultra-low frequencies otherwise inaccessible to traditional gravitational wave detection strategies, including pulsar timing arrays, interferometers, and resonant cavities.

Zebrowski, Jessica A. [Fermilab; Chicago U., KICP]↗
NASA NTRS1987

Shallow n(+) diffusion into InP by an open-tube diffusion technique

Very shallow n(+) layers have been obtained in InP by using gallium sulfide as a source for sulfur diffusion, and chemically vapor-deposited SiO2 as a cap. Diffusions were carried out from 585 to 725 C in an open-tube system with a nitrogen ambient. The doping profile of sulfur in InP is estimated to be of the complementary error function type with a surface concentration of 5.6 x 10 to the 18th/cc and a diffusion constant of 1.1 x 10 to the -14th sq cm/s at 670 C. Diodes made on n(+)-p junctions obtained by this diffusion technique show ideality factors close to unity and saturation current densities as low as 3.4 x 10 to the -15th A/sq cm, signifying the presence of a defect-free junction. These diffusions, with junction depths in the 400-700 A range, are ideal for solar cell applications.

Ghandhi, Sorab K.↗
DOE OSTI2024

Characterizing Defects Inside Hexagonal Boron Nitride Using Random Telegraph Signals in van der Waals 2D Transistors

Single-crystal hexagonal boron nitride (hBN) is used extensively in many two-dimensional electronic and quantum devices, where defects significantly impact performance. Therefore, characterizing and engineering hBN defects are crucial for advancing these technologies. Here, we examine the capture and emission dynamics of defects in hBN by utilizing low-frequency noise (LFN) spectroscopy in hBN-encapsulated and graphene-contacted MoS 2 field-effect transistors (FETs). The low disorder of this heterostructure allows the detection of random telegraph signals (RTS) in large device dimensions of 100 μm 2 at cryogenic temperatures. Analysis of gate bias- and temperature-dependent LFN data indicate that RTS originates from a single trap species within hBN. By performing multi-space density functional theory (MS-DFT) calculations on a gated defective hBN/MoS 2 heterostructure model, we assign substitutional carbon atoms in boron sites as the atomistic origin of RTS. This study demonstrates the utility of LFN spectroscopy combined with MS-DFT analysis on a low-disorder all-vdW FET as a powerful means for characterizing the atomistic defects in single-crystal hBN.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Carbene Functionalization of Monolayer Tungsten Disulfide for Enhanced Quantum Emission

Semiconducting two-dimensional (2D) transition metal dichalcogenides (TMDs) are promising materials for an array of applications, ranging from conventional field-effect transistors, photodetectors, and light-emitting diodes to their more recent use in quantum photonic technologies. Chemical functionalization of 2D TMDs with organic ligands and adlayers provides an additional means for customizing their electronic and optical properties. While many pathways have been reported for the chemical functionalization of 2D TMDs, their frequent reliance on solution-based methods results in limited control over adlayer thickness and coverage, thus hindering utility in high-performance applications. Here, in this study, we describe the vapor-phase functionalization of a 2D TMD with carbene ligands, specifically tungsten disulfide (WS 2 ) with N-heterocyclic carbenes (NHCs), resulting in molecularly smooth, thin, and uniform adlayers. Reacting NHCs with monolayer WS 2 reduces the broad photoluminescence background observed at cryogenic temperatures by 58%, which facilitates the detection of single-photon emitters from strained monolayer WS 2 , as indicated by second order correlation values ( g (2) ) as low as 0.17 ± 0.07. Chemical characterization coupled with density functional theory calculations suggests that the NHC adlayer has a dual defect-passivation and doping effect on monolayer WS 2 that results in enhanced single-photon emission. Overall, this study establishes vapor-phase carbene functionalization as a homogeneous surface modification scheme for tailoring the quantum emission properties of semiconducting 2D TMDs.

N-heterocyclic carbenes↗
DOE OSTI2020

Charge influence on point defect interactions with xenon bubbles in uranium dioxide

The interaction of xenon (Xe) bubbles with small self-defects in uranium dioxide (UO2) has been studied using molecular statics simulations. The results show that the pressure and size of bubbles have a minimal impact on the heterogeneity of the interaction between a charge neutral Xe bubble and charged point defects, while the local charge distribution around the bubble overwhelmingly determines the interaction strength and critical interaction distance. The charge effect on the interactions between Xe bubbles and defects was further confirmed by assessing the point defect interaction energies with negatively or positively charged Xe bubbles. The Xe density, or pressure, has a much smaller effect on the interaction energy between charged bubbles and small defects at least for low and medium pressure bubbles. The interactions between charged Xe bubbles and point defects basically follow the Coulomb electrostatic interaction law, which is independent of the empirical potentials employed for the Xe–UO2 system in this work.

Yang, L. (ORCID:0000000322166071)↗
NASA NTRS1994

P/N InP solar cells on Ge wafers

Indium phosphide (InP) P-on-N one-sun solar cells were epitaxially grown using a metalorganic chemical vapor deposition process on germanium (Ge) wafers. The motivation for this work is to replace expensive InP wafers, which are fragile and must be thick and therefore heavy, with less expensive Ge wafers, which are stronger, allowing use of thinner, lighter weight wafers. An intermediate InxGs1-xP grading layer starting as In(0.49)Ga(0.51) at the GaAs-coated Ge wafer surface and ending as InP at the top of the grading layer (backside of the InP cell) was used to attempt to bend some of the threading dislocations generated by lattice-mismatch between the Ge wafer and InP cell so they would be harmlessly confined in this grading layer. The best InP/Ge cell was independently measured by NASA-Lewis with a one-sun 25 C AMO efficiently measured by NASA-Lewis with a one-circuit photocurrent 22.6 mA/sq cm. We believe this is the first published report of an InP cell grown on a Ge wafer. Why get excited over a 9 percent InP/Ge cell? If we look at the cell weight and efficiency, a 9 percent InP cell on an 8 mil Ge wafer has about the same cell power density, 118 W/kg (BOL), as the best InP cell ever made, a 19 percent InP cell on an 18 mil InP wafer, because of the lighter Ge wafer weight. As cell panel materials become lighter, the cell weight becomes more important, and the advantage of lightweight cells to the panel power density becomes more important. In addition, although InP/Ge cells have a low beginning-of-life (BOL) efficiency due to dislocation defects, the InP/Ge cells are very radiation hard (end-of-life power similar to beginning-of-life). We have irradiated an InP/Ge cell with alpha particles to an equivalent fluence of 1.6 x 10(exp 16) 1 MeV electrons/sq cm and the efficiency is still 83 percent of its BOL value. At this fluence level, the power output of these InP/Ge cells matches the GaAs/Ge cell data tabulated in the JPL handbook. Data are presented indicating InP/Ge has more power output than GaAs/Ge cells at fluences in excess of this value.

Wojtczuk, Steven↗
DOE OSTI2025

Defect-Mediated Diffusion Pathways in Spodumene Accelerate Lithium Transport

Lithium extraction from naturally occurring α-spodumene is hindered by poor lithium diffusivity, necessitating high-temperature phase transformation to a low-density β polymorph. Although β spodumene exhibits up to 5 orders of magnitude higher lithium-ion diffusivity, both phases have diffusion activation energies between 0.8 and 1 eV, indicating that polymorph density is not the controlling factor over diffusivity. We show that aluminum vacancies facilitate lithium-ion diffusion in α-spodumene by reducing the migration barrier from 2.4 to 0.9 eV. Bond valence site energy and nudged elastic band calculations show a new lithium local minimum site which promotes a one-dimensional percolation network by reducing the lithium intersite distance from 4.5 Å to 2.9 Å. However, aluminum vacancies are energetically unfavorable to percolate through the whole structure, resulting in very low net lithium diffusivity and highlighting the critical role of nonstoichiometric defects in facilitating lithium transport in rigid aluminosilicate structures.

Chemical structure↗
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↗