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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Growing II/VI Semiconductors With Double Decantation

Concept for growing single crystals combines sheet solidification with controlled cooling. Proposed method for II/VI semiconductor compounds cools newly solidified crystal gradually and nearly isothermally so few defects formed. Method obtains maximum amount of crystal from minimum amount of melt. Double decantation causes sheet crystal to cool first in liquid, then in gas. Vessel tilted to pour off molten semiconductor material. Second tilt, in opposite direction, pours off encapsulant.

Morrison, Andrew D.↗
NASA NTRS1973

Precise measurement of charged defects in III-V compounds (supplement 2)

Experimental methods and related theory which will permit the measurement of low concentrations of vacancies and other defects in III-V compound semiconductors are discussed. Once the nature of these defects has been determined, this information can be incorporated into a transport theory for devices constructed from these materials, and experiments conducted to test the theory. The vacancies and other defects in the III-V compounds are detected by measurement of the nuclear magnetic resonance (NMR) line width. Most of the III-V compounds have at least one isotope with a nuclear quadrupole moment. In a crystal with a cubic crystal field (characteristic of most III-V compounds) there is no quadrupole splitting of the Zeeman resonance line. However, a defect removes the cubic symmetry locally and causes splitting which result in a change of the NMR width. This change can be used to detect the presence of vacancies.

Soest, J. F.↗
NASA NTRS1997

Growth of Bulk Wide Bandgap Semiconductor Crystals and Their Potential Applications

Developments in bulk crystal growth research for electro-optical devices in the Center for Photonic Materials and Devices since its establishment have been reviewed. Purification processes and single crystal growth systems employing physical vapor transport and Bridgman methods were assembled and used to produce high purity and superior quality wide bandgap materials such as heavy metal halides and II-VI compound semiconductors. Comprehensive material characterization techniques have been employed to reveal the optical, electrical and thermodynamic properties of crystals, and the results were used to establish improved material processing procedures. Postgrowth treatments such as passivation, oxidation, chemical etching and metal contacting during the X-ray and gamma-ray device fabrication process have also been investigated and low noise threshold with improved energy resolution has been achieved.

Chen, Kuo-Tong↗
NASA NTRS1993

Micro-opto-mechanical devices and systems using epitaxial lift off

The integration of high quality, single crystal thin film gallium arsenide (GaAs) and indium phosphide (InP) based photonic and electronic materials and devices with host microstructures fabricated from materials such as silicon (Si), glass, and polymers will enable the fabrication of the next generation of micro-opto-mechanical systems (MOMS) and optoelectronic integrated circuits. Thin film semiconductor devices deposited onto arbitrary host substrates and structures create hybrid (more than one material) near-monolithic integrated systems which can be interconnected electrically using standard inexpensive microfabrication techniques such as vacuum metallization and photolithography. These integrated systems take advantage of the optical and electronic properties of compound semiconductor devices while still using host substrate materials such as silicon, polysilicon, glass and polymers in the microstructures. This type of materials optimization for specific tasks creates higher performance systems than those systems which must use trade-offs in device performance to integrate all of the function in a single material system. The low weight of these thin film devices also makes them attractive for integration with micromechanical devices which may have difficulty supporting and translating the full weight of a standard device. These thin film devices and integrated systems will be attractive for applications, however, only when the development of low cost, high yield fabrication and integration techniques makes their use economically feasible. In this paper, we discuss methods for alignment, selective deposition, and interconnection of thin film epitaxial GaAs and InP based devices onto host substrates and host microstructures.

Camperi-Ginestet, C.↗
NASA NTRS1990

Properties and applications of photorefractive GaAs

Photorefractive semiconductors have the attractive features of fast response times and operation at near-infrared wavelengths. This has opened some new research opportunities in the field of photorefractive nonlinear optics which is significant for applications in real-time image processing and optical computing. This paper presents recent experimental demonstrations of several basic optical information processing techniques using photorefractive GaAs crystals. The results of these demonstrations illustrate that photorefractive compound semiconductors has a great potential as a new medium for light beam interaction based on the dynamic holographic principle.

Cheng, Li-Jen↗
NASA NTRS2003

Technology Development of Miniaturized Far-Infrared Sources for Biomolecular Spectroscopy

The objective of this project was to develop a purely solid-state based, thus miniaturized, far-infrared (FIR) (also known as terahertz (THz)) wave source using III-V semiconductor nanostructures for biomolecular detection and sensing. Many biomolecules, such as DNA and proteins, have distinct spectroscopic features in the FIR wavelength range as a result of vibration-rotation-tunneling motions and various inter- and intra-molecule collective motions. Spectroscopic characterization of such molecules requires narrow linewidth, sufficiently high power, tunable (in wavelength), and coherent FIR sources. Unfortunately, the FIR frequency is one of the least technologically developed ranges in the electromagnetic spectrum. Currently available FIR sources based on non-solid state technology are bulky, inefficient, and very often incoherent. In this project we investigated antimonide based compound semiconductor (ABCS) nanostructures as the active medium to generate FIR radiation. The final goal of this project was to demonstrate a semiconductor THz source integrated with a pumping diode laser module to achieve a compact system for biomolecular applications.

Kono, Junichiro↗
NASA NTRS1998

Crystal Growth of Mixed Optical Materials With the Automatic Czochralski Puller

Most of optical and semiconductor single crystalline materials produced in the electronic industry is grown with the Czochralski technique. This is the only technique capable of producing large high quality single crystals in a reasonable amount of time. The technique originated, and took its name, from pioneering work by Polish engineer J. Czochralski in 1917, who pulled single crystal wires (fibers) of low melting point metals from the melt in order to determine the maximum speeds at which they could be crystallized. The technique has been modified and its application has been extended first to the growth of silicon and later to a very wide range of compound semiconductors, metals, oxides and halides. It is now the dominant technique for the wide range of materials in the electronic industries. Czochralski growth is initiated by dipping a seed crystal of a chosen crystallographic orientation onto the surface of a melt contained in the heated crucible. The seed is then slowly withdrawn, solidifying the adherent column of the melt in steady state at an average rate given by the sum of the pulling rate and the rate of lowering the solid-liquid interface due to the depletion of the melt in the crucible. The control of the desired crystal diameter is achieved by closely controlling the heat balance at the solid-liquid interface.

Loutts, George B.↗
NASA NTRS2002

Atomistic Modeling of Semiconductors: Si, C, and 3C-SiC

An ongoing task of the Computational Materials Group (CMG) at the NASA Glenn Research Center is to enhance the role of atomistic simulations based on quantum-approximate methods in the study of new materials and their properties. One of the main goals of the activity continues to be breaching limitations that arise from the natural balance between accuracy, range of application, and computational simplicity. Whether that balance can be maintained while breaking new ground depends on the methods available with a minimum of constraints and limitations for the study of the energetics of arbitrary systems. The main tool used in CMG research, the Bozzolo- Ferrante-Smith (BFS) method for alloys, has no inherent constraint in its formulation, a feature that has allowed for successful research on various topics. In this article, we report on the latest development of the CMG program, namely, the extension and application of the BFS method to compound semiconductors, a departure from our previous research based primarily on metallic alloys.

Bozzolo, Guillermo↗
DOE OSTI2025

Mid-Infrared Photoluminescence from Tellurium Thin Films

Tellurium is an elemental semiconductor with a 0.34 eV optical band gap, showing promise for mid-infrared (MIR) optoelectronics including light-emitting diodes. However, quantitative measurement of the tellurium luminescence efficiency has not yet been investigated, and growing optically active films remain challenging. Here, we demonstrate the low-temperature growth of bright tellurium thin films by using physical vapor transport. The sample morphology is controlled by varying the growth temperature, yielding continuous thin films, microparticles, or nanowires. Additionally, we demonstrated patterned growth by using a seed layer for selective nucleation. Quantitative photoluminescence measurements at room temperature reveal an internal quantum yield of 2.0% at 0.34 eV for the as-grown tellurium films, comparable to the best-reported efficiencies of III-V and II-VI compound semiconductors with similar band gaps. Furthermore, we demonstrate band-gap tunability with Te-Se alloys, where up to 20% selenium incorporation gradually blue-shifts the band gap to 0.55 eV. The work demonstrates the potential use of tellurium for efficient MIR devices.

Wang, Shu↗
DOE OSTI2025

Next-generation tunnel FETs: exploring material perspectives and areal tunneling configurations

The end of Dennard scaling, which facilitated proportional increases in computing power without added energy costs until the mid-2000s, has underscored the urgent need for innovative semiconductor devices that can enhance energy efficiency. Tunnel field-effect transistors (TFETs) have emerged as promising candidates to surpass the energy efficiency of conventional metal oxide semiconductor field-effect transistors (MOSFETs). Unlike MOSFETs, which rely on thermionic emission to overcome the source-channel potential barrier, TFETs operate through quantum tunneling, potentially enabling sub-60 mV dec −1 subthreshold swing (SS) for low-voltage operation. However, lateral TFETs have faced challenges in achieving adequate on-state current (I ON ) and a broad SS operation window, limiting their practical utility. This review article advocates for areal TFETs, which utilize face-to-face tunnel junctions that ideally offer step-function current turn-on characteristics and allow I ON to scale with device area rather than width. We highlight recent advancements in integrating 2D materials into tunneling structures, which could facilitate efficient band-to-band tunneling through atomically thin layers, while addressing challenges of gate field screening. We then discuss the nearer-term prospects of epitaxial areal TFETs comprising III–V compound semiconductors and group-IV semiconductors based on recent experimental progress. The review examines both quantum mechanical and semiclassical modeling approaches for TFETs, including techniques to reduce the computational complexity. The article delves into ongoing challenges in material synthesis, interface engineering, device fabrication, and integration pathways, concluding with recommendations for future research directions to overcome the fundamental power density limitations of conventional transistor technology.

2D materials↗
DOE OSTI2025

Semiconductor-compatible topological digital alloys

Recently, GeSn alloys have attracted much interest for direct-gap infrared photonics and as potential topological materials which are compatible with the semiconductor industry. However, for photonics, the high-Sn content required leads to low detectivity, associated with poor material quality, and the (>35 %) Sn required for topological properties have been out of reach experimentally. Here, we demonstrate that by patterning the Sn distribution within Ge, the electronic properties have a far greater tunability than is possible with the random alloy. For the GeSn δ-digital alloy (DA) formed by confining Sn atoms in atomic layer(s) along the [111] direction of Ge, we show that ∼ 10 % Sn can lead to a triple-point semimetal. These findings are understood in terms of Sn ordering causing spatial separation of Sn and Ge band edges, leading to band inversion. This mechanism can also lead to a weak topological insulator, Weyl semimetal, and enables tunable direct bandgaps down to 2 meV, covering the entire infrared range. This DA induced topological properties are also identified in compound semiconductors, such as InAs 1-x Sb x , showing the general applicability of the DA design for realizing topological properties on conventional semiconductor platforms. Furthermore, our findings not only point to a new class of currently unexplored topological systems accessible by epitaxy, but also establish the promise of low-Sn GeSn DAs for application as infrared laser diodes and photodetectors in Si photonic integrated circuits and infrared image sensors.

3D topological semimetal↗
DOE OSTI2025

Crystal structure of Cu2Zn(GexSi1−x)Se4 solid solution: the kesterite to wurtz–kesterite structural phase transition

Developing low-cost, sustainable, and environmentally friendly top absorber layers for tandem solar cells is essential to advancing photovoltaic technologies and accelerating the transition to renewable energy. In this work, we explore the potential of tetravalent (Cu2Zn(GexSi1−x)Se4) cation mutations in chalcogenide compound semiconductors with the aim of finding a material with increased band gap and reduced structural disorder. A combination of high-resolution synchrotron powder diffraction and neutron powder diffraction was used to determine the atomic positions and monoclinic angles in monoclinic wurtz–kesterite type Cu2Zn(GexSi1−x)Se4 mixed crystals as well as to determine the cation distribution in the crystal structure of Ge-rich kesterite-type and Si-rich wurtz–kesterite type mixed crystals. These investigations enabled us to deduce the structural transition scenario within the Cu2Zn(GexSi1−x)Se4 series. The transition occurs via a region where two phases with different crystal structures, tetragonal and monoclinic and thus a different distortion of the coordination tetrahedra, but the same cation distribution within the element specific cation sites co-exist. Thus, the structural transition between the kesterite and the wurtz–kesterite structure within the Cu2Zn(GexSi1−x)Se4 series is a distortion driven transition. The study identifies cation mutation in quaternary chalcogenides as a promising strategy beyond chalcopyrites and kesterites for low cost and environmentally friendly top absorbers in tandem solar cells.

Gurieva, Galina [Helmholtz Center Berlin for Mater↗
DOE OSTI2026

Defect-Limited Carrier Lifetime in Epitaxially Strained Germanium-On-Silicon Heterostructures

Epitaxially strained germanium-on-silicon (Ge-on-Si) heterostructures are central to next-generation photonic and electronic devices, yet their performance remains strongly constrained by defect-limited carrier lifetimes. In this work, we investigate the impact of defects on the carrier lifetime in relaxed Ge-on-Si and strained Ge-on-Si heterostructures. High-resolution X-ray diffraction quantifies the strain-state in Ge and reveals signatures of strain relaxation due to lattice mismatch. Cross-sectional and plan-view transmission electron microscopy analyses enable direct visualization of interfacial defects and quantification of threading dislocation densities (TDDs) within the Ge layer. However, the presence of a dense misfit dislocation network obscures the threading dislocation signatures, preventing reliable TDD determination by plan-view transmission electron microscopy in strained-Ge (..epsilon..-Ge). To assess the defect density in this case, etch-pit density measurements were performed, providing an alternative means of quantifying the TDDs in the ..epsilon..-Ge layer. Carrier lifetime measurements by microwave-reflection photoconductive decay reveal a clear relationship with TDDs ranging from 5 x 103 cm-2 to 2 x 1010 cm-2, confirming Shockley-Read-Hall recombination as the limiting mechanism at lower defect densities, with TDD-dominated recombination at higher defect densities. The Ge-on-Si relaxed heterostructure exhibited lifetimes much lower (~12 ns) than the lattice-matched Ge on gallium arsenide (GaAs) (~158 ns) heterostructure. Introducing controlled tensile strain reduces defect formation, suppresses strain-relaxation pathways, and leads to measurable improvements in minority carrier lifetime from 12 ns to 171 ns. These results establish a direct relation between defect suppression and carrier recombination dynamics in both relaxed Ge-on-Si grown directly on Si and strained Ge-on-Si heterostructures incorporating compound-semiconductor buffer layers, offering a materials-driven pathway for engineering Ge with improved carrier lifetime for photonic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Epitaxial PbGeSe thin films and their photoluminescence in the mid-wave infrared

PbSe is a narrow bandgap IV–VI compound semiconductor with application in mid-wave infrared optoelectronics, thermoelectrics, and quantum devices. Alkaline-earth or rare-earth elements such as Sr and Eu can substitute Pb to widen the bandgap of PbSe in heterostructure devices, but they come with challenges such as deteriorating optical and electronic properties, even in dilute concentrations due to their dissimilar atomic nature. We substitute Pb instead with column IV Ge and assess the potential of rocksalt phase PbGeSe as a wider bandgap semiconductor in thin films grown by molecular beam epitaxy on GaAs substrates. Low sticking of GeSe adatoms requires synthesis temperatures below 260 °C to incorporate Ge, but this yields poor structural and compositional uniformity as determined by x-ray diffraction. Consequently, as-grown films in the range Pb0.94Ge0.06Se–Pb0.83Ge0.17Se (6%–17% Ge) show much less bandgap widening in photoluminescence than prior work on bulk crystals using absorption. We observe that post-growth rapid thermal annealing at temperatures of 375–450 °C improves the crystal quality and recovers bandgap widening. Rapid interdiffusion of Ge during annealing, however, remains a challenge in harnessing such PbGeSe materials for compositionally sharp heterostructures. Annealed 17% Ge films emit light at 3–3.1 μm with a minimal shift in wavelength vs temperature. These samples are wider in bandgap than PbSe films by 55 meV at room temperature, and the widening increases to 160 meV at 80 K, thanks to sharply different dependence of bandgap on temperature in PbSe vs PbGeSe.

Xiao, Kelly (ORCID:0000000321000838)↗
DOE OSTI2024

Electronic structure and optical properties of halide double perovskites from a Wannier-localized optimally-tuned screened range-separated hybrid functional

Halide double perovskites are a chemically diverse and growing class of compound semiconductors that are promising for optoelectronic applications. However, the prediction of their fundamental gaps and optical properties with density functional theory (DFT) and ab initio many-body perturbation theory has been a significant challenge. Recently, a nonempirical Wannier-localized optimally tuned screened range-separated hybrid (WOT-SRSH) functional has been shown to accurately produce the fundamental band gaps of a wide set of semiconductors and insulators, including lead halide perovskites. Here, in this study, we apply the WOT-SRSH functional to five halide double perovskites and compare the results with those obtained from other known functionals and previous GW calculations. We also use the approach as a starting point for GW calculations and we compute the band structures and optical absorption spectrum for Cs 2 AgBiBr 6 , using both time-dependent DFT and the GW-Bethe-Salpeter equation approach. We show that the WOT-SRSH functional leads to accurate fundamental and optical band gaps, as well as optical absorption spectra, consistent with spectroscopic measurements, thereby establishing WOT-SRSH as a viable method for the accurate prediction of optoelectronic properties of halide double perovskites.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Economic analysis of crystal growth in space

Many advanced electronic technologies and devices for the 1980's are based on sophisticated compound single crystals, i.e. ceramic oxides and compound semiconductors. Space processing of these electronic crystals with maximum perfection, purity, and size is suggested. No ecomonic or technical justification was found for the growth of silicon single crystals for solid state electronic devices in space.

Ulrich, D. R.↗
NASA NTRS1975

Ternary compound thin film solar cells

A group of ternary compound semiconductor (I-III-VI2) thin films for future applications in photovoltaic devices is proposed. The consideration of these materials (CuInSe2, CuInTe2 and especially CuInS2) for long range device development is emphasized. Much of the activity to date has been concerned with the growth and properties of CuInX2 films. X-ray and electron diffraction analyses, Hall mobility and coefficient, resistivity and carrier concentration variations with substrate and film temperature as well as grain size data have been determined. Both p- and n-type films of CuInS2 and CuInSe2 have been produced. Single and double source deposition techniques have been utilized. Some data have been recorded for annealed films.

Kazmerski, L. L.↗
NASA NTRS1980

OM-VPE grown materials for high efficiency solar cells

Organometallic sources are available for all the III-V elements and a variety of dopants; thus it is possible to use the technique to grow a wide variety of semiconductor compounds. AlGaAsSb and AlGaInAs alloys for multijunction monolithic solar cells were grown by OM-VPE. While the effort concentrated on terrestrial applications, the success of OM-VPE grown GaAs/AlGaAs concentrator solar cells (23% at 400 suns) demonstrates that OM-VPE is suitable for growing high efficiency solar cells in large quantities for space applications. In addition, OM-VPE offers the potential for substantial cost reduction of photovoltaic devices with scale up and automation and due to high process yield from reproducible, uniform epitaxial growths with excellent surface morphology.

Saxena, R.↗