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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Structure-property relationships in semiconductor alloys

It is presently noted that the atomic distribution of constituents in semiconductor alloys is never truly random, since there are always interactions giving rise to correlations whose degree and character depend on which interactions are dominant, as well as on the growth conditions. Although most of the interactions that can be expected to generate correlations have been identified, the fact that not all have been thus far treated exhaustively leaves several details unclear. A characterization of the primary effects in general terms is accordingly achieved.

Sher, A.↗
NASA NTRS1999

High Resolution Triple Axis X-Ray Diffraction Analysis of II-VI Semiconductor Crystals

The objective of this research program is to develop methods of structural analysis based on high resolution triple axis X-ray diffractometry (HRTXD) and to carry out detailed studies of defect distributions in crystals grown in both microgravity and ground-based environments. HRTXD represents a modification of the widely used double axis X-ray rocking curve method for the characterization of grown-in defects in nearly perfect crystals. In a double axis rocking curve experiment, the sample is illuminated by a monochromatic X-ray beam and the diffracted intensity is recorded by a fixed, wide-open detector. The intensity diffracted by the sample is then monitored as the sample is rotated through the Bragg reflection condition. The breadth of the peak, which is often reported as the full angular width at half the maximum intensity (FWHM), is used as an indicator of the amount of defects in the sample. This work has shown that high resolution triple axis X-ray diffraction is an effective tool for characterizing the defect structure in semiconductor crystals, particularly at high defect densities. Additionally, the technique is complimentary to X-ray topography for defect characterization in crystals.

Volz, H. M.↗
DOE OSTI2021

Structural, Optical, and Electronic Properties of Two Quaternary Chalcogenide Semiconductors: Ag 2 SrSiS 4 and Ag 2 SrGeS 4

Quaternary chalcogenide materials have long been a source of semiconductors for optoelectronic applications. Recent studies on the I2-II-IV-X4 (I = Ag, Cu, Li; II = Ba, Sr, Eu, Pb; IV = Si, Ge, Sn; X = S, Se) materials have shown particular versatility and promise among these compounds. These semiconductors take advantage of a diverse bonding scheme and chemical differences among cations to target a degree of anti-site defect resistance. Within this set of compounds, the materials containing both Ag and Sr have not been experimentally studied and leave a gap in the full understanding of the family. Here, we have synthesized powders and single crystals of two Ag- and Sr-containing compounds, Ag 2 SrSiS 4 and Ag 2 SrGeS 4 , each found to form in the tetragonal I4¯2m structure of Ag 2 BaGeS 4 . During the synthesis targeting the title compounds, two additional materials, Ag 2 Sr 3 Si 2 S 8 and Ag 2 Sr 3 Ge 2 S 8 , have also been identified. Furthermore, these cubic compounds represent impurity phases during the synthesis of Ag 2 SrSiS 4 and Ag 2 SrGeS 4 . We show through hybrid density functional theory calculations that Ag 2 SrSiS 4 and Ag 2 SrGeS 4 have highly dispersive band edge states and indirect band gaps, experimentally measured as 2.08(1) and 1.73(2) eV, respectively. Second-harmonic generation measurements on Ag 2 SrSiS 4 and Ag 2 SrGeS 4 powders show frequency doubling capabilities in the near-infrared range.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

Molecular dynamics investigation of radiation damage in semiconductors

Results of a molecular dynamics investigation of the effects of radiation damage on the crystallographic structure of semiconductors are reported. Particular cosiderastion is given to the formation of point defects and small defect complexes in silicon at the end of a radiation-damage cascade. The calculations described make use of the equivalent crystal theory of Smith and Banerjea (1988). Results on the existence of an atomic displacement threshold, the defect formation energy, and some crystallographic information on the defects observed are reported.

Good, Brian S.↗
DOE OSTI2025

Identification of short-range ordering motifs in semiconductors

Chemical short-range ordering is expected to be a key factor for tuning the electronic structure of semiconductors. However, experimental evidence of short-range ordering is still lacking due to the challenge of characterizing atomic-scale ordering motifs. Here, we determined the presence of short-range order in a ternary GeSiSn semiconductor system using advanced energy-filtered four-dimensional scanning transmission electron microscopy and large-scale atomistic models generated by a machine learning neuroevolution potential of first-principles accuracy. This approach revealed preferred ordering of different atomic species with the dominant occurrence of Si–Ge–Sn triplets. Our findings not only confirmed the presence of short-range order but also directly revealed the actual atomic structure, demonstrating the potential for informed atomic order–based band engineering as a third degree of freedom beyond composition and strain tuning.

Vogl, Lilian M. [University of California Berkeley↗
DOE OSTI2022

Monocrystalline 1.7-eV MgCdTe solar cells

Monocrystalline 1.7-eV Mg 0.13 Cd 0.87 Te/Mg x Cd 1-x Te (x > 0.13) double-heterostructure (DH) solar cells with varying Mg composition in the barrier layers are grown by molecular beam epitaxy. Furthermore, a Mg 0.13 Cd 0.87 Te/Mg 0.37 Cd 0.63 Te DH solar cell featuring abrupt interfaces between barriers and absorber and the addition of a SiO 2 anti-reflective coating demonstrates open-circuit voltage (V OC ), short-circuit current density (J SC ), fill factor (FF), and device active-area efficiencies up to 1.129 V, 17.3 mA/cm 2 , 77.7% and 15.2%, respectively. The V OC and FF vary oppositely with the Mg x Cd 1-x Te barrier height indicating an optimal design of the MgCdTe DHs as a tradeoff between carrier confinement and carrier transport. Temperature-dependent V OC measurements reveal the majority of carrier recombination in the devices occurs outside the DHs, in the a-Si:H hole-contact layer and at the interface between the a-Si:H layer and the Mg x Cd 1-x Te top barrier at room temperature. Simulation results for the device with the highest efficiency show that the p-type a-Si:H layer and Mg 0.37 Cd 0.63 Te top barrier contribute 1.3 mA/cm 2 and 2.4 mA/cm 2 J SC loss, respectively.

14 SOLAR ENERGY↗
NASA NTRS2003

Vertical Electron Transport through PbS-EuS Structures

Temperature dependence of current-voltage I-V characteristics and resistivity is studied in ferromagnetic PbS-EuS semiconductor tunnel structures grown on n-PbS (100) substrates. For the structures with a single (2-4 nm thick) ferromagnetic EuS electron barrier we observe strongly non-linear I-V characteristics with an effective tunneling barrier height of 0.3-0.7 eV. The experimentally observed non-monotonic temperature dependence of the (normal to the plane of the structure) electrical resistance of these structures is discussed in terms of the electron tunneling mechanism taking into account the temperature dependent shift of the band offsets at the EuS-PbS heterointerface as well as the exchange splitting of the electronic states at the bottom of the conduction band of EuS.

Wrotek, S.↗
NASA NTRS1988

Observation of interface band structure by ballistic-electron-emission microscopy

The paper reports an advanced ballistic electron spectroscopy technique that was used to directly measure semiconductor band structure properties at a subsurface interface. Two interface systems having contrasting band structures were investigated by this method: Au-Si and Au-GaAs. It is concluded that the proposed method, based on scanning tunneling microscopy, enables the spatially resolved carrier-transport spectroscopy of interfaces.

Bell, L. D.↗
DOE OSTI2022

Tackling Disorder in γ‐Ga 2 O 3

Abstract Ga 2 O 3 and its polymorphs are attracting increasing attention. The rich structural space of polymorphic oxide systems such as Ga 2 O 3 offers potential for electronic structure engineering, which is of particular interest for a range of applications, such as power electronics. γ‐Ga 2 O 3 presents a particular challenge across synthesis, characterization, and theory due to its inherent disorder and resulting complex structure–electronic‐structure relationship. Here, density functional theory is used in combination with a machine‐learning approach to screen nearly one million potential structures, thereby developing a robust atomistic model of the γ‐phase. Theoretical results are compared with surface and bulk sensitive soft and hard X‐ray photoelectron spectroscopy, X‐ray absorption spectroscopy, spectroscopic ellipsometry, and photoluminescence excitation spectroscopy experiments representative of the occupied and unoccupied states of γ‐Ga 2 O 3 . The first onset of strong absorption at room temperature is found at 5.1 eV from spectroscopic ellipsometry, which agrees well with the excitation maximum at 5.17 eV obtained by photoluminescence excitation spectroscopy, where the latter shifts to 5.33 eV at 5 K. This work presents a leap forward in the treatment of complex, disordered oxides and is a crucial step toward exploring how their electronic structure can be understood in terms of local coordination and overall structure.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Theory and Simulation of Metal–Insulator–Semiconductor (MIS) Photoelectrodes

A metal–insulator–semiconductor (MIS) structure is an attractive photoelectrode-catalyst architecture for promoting photoelectrochemical reactions, such as the formation of H 2 by proton reduction. The metal catalyzes the generation of H 2 using electrons generated by photon absorption and charge separation in the semiconductor. The insulator layer between the metal and the semiconductor protects the latter element from photo-corrosion and, also, significantly impacts the photovoltage at the metal surface. Understanding how the insulator layer determines the photovoltage and what properties lead to high photovoltages is critical to the development of MIS structures for solar-to-chemical energy conversion. Herein, we present a continuum model for charge-carrier transport from the semiconductor to the metal with an emphasis on mechanisms of charge transport across the insulator. The polarization curves and photovoltages predicted by this model for a Pt/HfO 2 /p-Si MIS structure at different HfO 2 thicknesses agree well with experimentally measured data. The simulations reveal how insulator properties (i.e., thickness and band structure) affect band bending near the semiconductor/insulator interface and how tuning them can lead to operation closer to the maximally attainable photovoltage, the flat-band potential. This phenomenon is understood by considering the change in tunneling resistance with insulator properties. The model shows that the best MIS performance is attained with highly symmetric semiconductor/insulator band offsets (e.g., BeO, MgO, SiO 2 , HfO 2 , or ZrO 2 deposited on Si) and a low to moderate insulator thickness (e.g., between 0.8 and 1.5 nm). Beyond 1.5 nm, the density of filled interfacial trap sites is high and significantly limits the photovoltage and the solar-to-chemical conversion rate. These conclusions are true for photocathodes and photoanodes. This understanding provides critical insight into the phenomena enhancing and limiting photoelectrode performance and how this phenomenon is influenced by insulator properties. The study gives guidance toward the development of next-generation insulators for MIS structures that achieve high performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Direct solar pumping of semiconductor lasers: A feasibility study

This report describes results of NASA Grant NAG-1-1148, entitled Direct Solar Pumping of Semiconductor Lasers: A Feasibility Study. The goals of this study were to provide a preliminary assessment of the feasibility of pumping semiconductor lasers in space with directly focused sunlight and to identify semiconductor laser structures expected to operate at the lowest possible focusing intensities. It should be emphasized that the structures under consideration would provide direct optical-to-optical conversion of sunlight into laser light in a single crystal, in contrast to a configuration consisting of a solar cell or storage battery electrically pumping a current injection laser. With external modulation, such lasers could perhaps be efficient sources for intersatellite communications. We proposed specifically to develop a theoretical model of semiconductor quantum-well lasers photopumped by a broadband source, test it against existing experimental data where possible, and apply it to estimating solar pumping requirements and identifying optimum structures for operation at low pump intensities. These tasks have been accomplished, as described in this report of our completed project. The report is organized as follows: Some general considerations relevant to the solar-pumped semiconductor laser problem are discussed in Section 2, and the types of structures chosen for specific investigation are described. The details of the laser model we developed for this work are then outlined in Section 3. In Section 4, results of our study are presented, including designs for optimum lattice-matched and strained-layer solar-pumped quantum-well lasers and threshold pumping estimates for these structures. It was hoped at the outset of this work that structures could be identified which could be expected to operate continuously at solar photoexcitation intensities of several thousand suns, and this indeed turned out to be the case as described in this section. Our project is summarized in Section 5, and information on publications resulting from this work is provided in Section 6.

Anderson, Neal G.↗
NASA NTRS1989

Novel applications of optical techniques to the study of buried semiconductor interfaces

Detailed electronic and structural information about buried semiconductor interfaces obtained through application of optical techniques is discussed. The measurements described include the determination of band discontinuities, strain, and disorder associated with semiconductor heterointerfaces. The contactless and nondestructive nature of these optical techniques is particularly important for the study of heterointerfaces which are inherently inaccessible to direct electrical or physical contact.

Wilson, Barbara A.↗
DOE OSTI2024

Domain wall dynamics in tungsten trioxide: Evidence for polar domain walls

Domain walls have distinct properties from the bulk, and tailoring them to suit the needs for device applications is critical. Tungsten trioxide, WO 3 , is of great interest for device applications that make use of domain wall properties; it exhibits a phenomenologically rich sequence of phase transitions, virtually all of which are ferroelastic in character, resulting in many sets of domain walls at low temperatures, each with their own unique properties. Domain wall motion and its contribution to the piezoelectric response have been investigated in WO 3 from 300 to 180 K using resonant ultrasound spectroscopy (RUS) and resonant piezoelectric spectroscopy (RPS), which showed that the P 2 1 / n , P 1 ¯ , and P 2 1 / c phases give a piezoelectric response despite the bulk being nominally centrosymmetric. Second harmonic generation (SHG) confirmed that polarity was strongest within the domain walls, and additional weak signals were found in the domains. Domain wall mobility was investigated in the P b c n , P 2 1 / n , and P 2 1 / c phases from 685 to 5 K. Domain walls in the P 2 1 / n and P 1 ¯ were more mobile than those in the P b c n and P 2 1 / c structures, and soon after the P 1 ¯ → P 2 1 / c transition the walls become pinned at ∼ 140 K . Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

β -Ga 2 O 3 Schottky barrier diodes with 4.1 MV/cm field strength by deep plasma etching field-termination Available

In this work, we demonstrate a deep mesa etch design for efficient edge field termination in β-Ga 2 O 3 Schottky barrier diodes (SBDs). The proposed design enabled parallel plate fields higher than 4.1 MV/cm with negligible change to the device ON characteristics. The effect of BCl 3 /Cl 2 -based dry etch on (100) and (010) etched vertical sidewalls is also analyzed. A remarkable anisotropy in depletion was observed for etch along (100) and (010) sidewalls. In conclusion, this work provides insight into the impact of etching on n-type Ga 2 O 3 and shows a promising method to realize efficient field termination for high breakdown field strength SBDs.

42 ENGINEERING↗
NASA NTRS1991

Direct solar pumping of semiconductor lasers: A feasibility study

The primary goals of the feasibility study are the following: (1) to provide a preliminary assessment of the feasibility of pumping semiconductor lasers in space directly focused sunlight; and (2) to identify semiconductor laser structures expected to operate at the lowest possible focusing intensities. It should be emphasized that the structures under consideration would provide direct optical-to-optical conversion of sunlight into laser light in a single crystal, in contrast to a configuration consisting of a solar cell or battery electrically pumping a current injection laser. With external modulation, such lasers may prove to be efficient sources for intersatellite communications. We proposed to develop a theoretical model of semiconductor quantum-well lasers photopumped by a broadband source, test it against existing experimental data where possible, and apply it to estimating solar pumping requirements and identifying optimum structures for operation for operation at low pump intensities. This report outlines our progress toward these goals. Discussion of several technical details are left to the attached summary abstract.

Anderson, Neal G.↗