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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
DOE OSTI2026

Persistent structural distortion for anticipated improper ferroelectricity in ultrathin h-Lu 1− x Ca x MnO 3 films

Improper ferroelectricity in hexagonal rare-earth manganites (h-RMnO 3 , R = Ho–Lu, Y, Sc) arises from a geometric distortion as the primary order parameter, resilient to depolarizing fields and promising for ultrathin ferroelectric devices. However, the substrate-induced interface clamping effect, which suppresses the geometric distortion in the sub-nanometer regime, has thus far hindered the realization of two-dimensional improper ferroelectrics. This study demonstrates that doping with calcium can enhance ferroelectric structural distortion in h-LuMnO 3 thin films. Compressively strained h-Lu 1−x Ca x MnO 3 (x = 0.1, 0.2, 0.3, 0.4, 0.5) epitaxial thin films were stabilized on sapphire substrates using an h-ScFeO 3 buffer layer. We have found that the interface clamping effect is entirely overcome when the doping concentration reaches x ⩾ 0.2, establishing a potential quasi-2D ferroelectric system with a remarkably high estimated structural transition temperature of larger than 1200 K inferred indirectly from temperature-resolved reflection high-energy electron diffraction. This finding suggests a general strain engineering strategy to enhance improper ferroelectricity in hexagonal manganites.

hexagonal manganites↗
DOE OSTI2025

Growth and characterization of high-quality Zr doped AlN epilayers

AlN stands out for its remarkable figures of merit for electronic and photonic devices, attributed to its ultrawide bandgap of ∼6.1 eV and an exceptionally high critical field of ∼15 MV/cm. More recently, zirconium (Zr) doped AlN (AlN:Zr) has also been identified as a promising material platform for the exploration of solid-state qubits for quantum information and technology, high performance piezoelectric acoustic wave resonators, and optically triggered ultrafast power switching devices facilitated by optically activating Zr related impurities. Despite the significant potential, the ability for producing AlN:Zr epitaxial structures has yet to be established. In this study, we have achieved AlN:Zr epilayers with a high Zr doping level [NZr] of up to 1020 cm−3 using industrial standard metal-organic chemical vapor deposition growth technique. High crystalline quality of AlN:Zr was confirmed by x-ray diffraction, revealing a narrow full width at half maximum of the (002) rocking curve at 216 arcsec for 1.8 μm thick epilayers deposited on sapphire at [NZr]=1020 cm−3. Zr doping was observed to slightly increase the c-lattice constant to 4.992 Å for AlN:Zr (at [NZr]=1020 cm−3) compared to 4.980 Å for undoped AlN. X-ray photoelectron spectroscopy measurement results verified the substitution of Zr at the Al site (ZrAl). The formation of (ZrAl–VN) complexes, which are predicted to possess all the desired properties required by quantum qubits, was confirmed through optical absorption studies. The realization of high-quality AlN:Zr epilayers significantly broadens the scope of technologically significant device applications for AlN.

36 MATERIALS SCIENCE↗
NASA NTRS1979

High-energy electron-induced damage production at room temperature in aluminum-doped silicon

DLTS and EPR measurements are reported on aluminum-doped silicon that was irradiated at room temperature with high-energy electrons. Comparisons are made to comparable experiments on boron-doped silicon. Many of the same defects observed in boron-doped silicon are also observed in aluminum-doped silicon, but several others were not observed, including the aluminum interstitial and aluminum-associated defects. Damage production modeling, including the dependence on aluminum concentration, is presented.

Corbett, J. W.↗
NASA NTRS2002

Photoluminescence of CdTe Crystals Grown by Contactless PVT Method

High quality CdTe crystals with resistivities higher than 10(exp 8) Omega cm were grown by the 'contactless' PVT (physical vapor transport) technique. Group III elements In and Al, and the transition metal Sc were introduced at the nominal level of about 6 ppm to the source material. Low-temperature photoluminescence (PL) has been employed to identify the origins of PL emissions of the crystals. It was found that the emission peaks at 1.584 eV and 1.581 eV exist only in the In-doped crystal. The result suggests that the luminescence line at 1.584 eV is associated with Cd-vacancy/indium complex. The intensity of the broadband centered at 1.43 eV decreases dramatically with introduction of Sc.

Palosz, W.↗
DOE OSTI2025

Cobalt–niobium co-doping of indium oxide: structural and adsorption/catalytic properties for CO 2 valorization

The co-doping of the indium oxide structure with cobalt and niobium is attempted using a microemulsion method to produce high-surface-area, mesoporous, functional materials. The co-doping leads to a major nanometric bixbyite oxide phase, with both cations occupying cation positions and affecting the size and shape of the oxide entities. For specific cobalt to niobium atomic ratios, the presence of a second surface phase is encountered. Such a surface phase corresponds to an ill-defined indium hydroxide-type phase. The coexistence of the two phases is a unique phenomenon associated with the presence of both cations, which play a decisive role in promoting the CO 2 adsorption capability of the solids, as well as the valorization of the molecule under dual heat–light excitation. The co-doping of indium oxide thus appears to be a unique way to intensify the analogous thermal (classical) catalytic process for the elimination/valorization of carbon dioxide.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Optical and microstructural studies of erbium-doped TiO 2 thin films on silicon, SrTiO 3 , and sapphire

Rare-earth ion doped oxide thin films integrated on silicon substrates provide a route toward scalable, chip-scale platforms for quantum coherent devices. Erbium-doped TiO 2 is an attractive candidate: the Er 3+ optical transition is compatible with C-band optical fiber communications, while TiO 2 is an insulating dielectric compatible with silicon process technology. Through structural and optical studies of Er-doped TiO 2 thin films grown via molecular beam deposition on silicon, SrTiO 3 , and sapphire substrates, we have explored the impact of polycrystallinity and microstructure on the optical properties of the Er emission. Comparing polycrystalline TiO 2 (rutile)/Si with single-crystalline TiO 2 (rutile)/r-sapphire and polycrystalline TiO 2 (anatase)/Si with single-crystalline TiO 2 (anatase)/SrTiO 3 , we observe that the inhomogeneous linewidth (Γ inh ) of the most prominent peak in the Er spectrum (the Y 1 –Z 1 transition, 1520 and 1533 nm in rutile and anatase TiO 2 ) is significantly narrower in the polycrystalline case. This implies a relative insensitivity to extended structural defects and grain boundaries in such films (as opposed to, e.g., point defects). We show that the growth of an undoped, underlying TiO 2 buffer on Si can reduce Γ inh by a factor of 4–5. Expectedly, Γ inh also reduces with decreasing Er concentrations: we observe a ∼2 order of magnitude reduction from ∼1000 ppm Er to ∼10 ppm Er. Γ inh then gets limited to a residual value of ∼5 GHz that is insensitive to further reduction in the Er concentration. Based upon the above results, we argue that the optical properties in these thin films are limited by the presence of high “grown-in” point defect concentrations.

Chemical elements↗
NASA NTRS1999

Heat Transfer Issues in Thin-Film Thermal Radiation Detectors

The Thermal Radiation Group at Virginia Polytechnic Institute and State University has been working closely with scientists and engineers at NASA's Langley Research Center to develop accurate analytical and numerical models suitable for designing next generation thin-film thermal radiation detectors for earth radiation budget measurement applications. The current study provides an analytical model of the notional thermal radiation detector that takes into account thermal transport phenomena, such as the contact resistance between the layers of the detector, and is suitable for use in parameter estimation. It was found that the responsivity of the detector can increase significantly due to the presence of contact resistance between the layers of the detector. Also presented is the effect of doping the thermal impedance layer of the detector with conducting particles in order to electrically link the two junctions of the detector. It was found that the responsivity and the time response of the doped detector decrease significantly in this case. The corresponding decrease of the electrical resistance of the doped thermal impedance layer is not sufficient to significantly improve the electrical performance of the detector. Finally, the "roughness effect" is shown to be unable to explain the decrease in the thermal conductivity often reported for thin-film layers.

Barry, Mamadou Y.↗
DOE OSTI2025

Substitutional doping of 2D transition metal dichalcogenides for device applications: Current status, challenges and prospects

Two-dimensional (2D) transition metal dichalcogenides (TMDs) have emerged as a class of materials with exceptional electronic, optical, and mechanical properties, making them highly tunable for diverse applications in nanoelectronics, optoelectronics, and catalysis. Here, this review focuses on substitutional doping of TMDs, a key strategy to tailor their properties and enhance device performance, with a focus on its applications over the past five years (2019–2024). We delve into both theoretical and experimental doping approaches, including established methods like chemical vapor transport (CVT) and chemical vapor deposition (CVD) alongside liquid phase exfoliation (LPE) and post-synthesis treatments. Advanced growth techniques are also explored. Challenges like dopant uniformity, concentration control, and stability are addressed. The influence of various dopants on the electronic band structure, carrier concentration, and defect engineering is analyzed in detail. We further explore recent advancements in utilizing doped TMDs for field-effect transistors (FETs), photodetectors, sensors, photovoltaics, optoelectronic devices, energy storage and conversion, and even quantum computers. By examining both the potential and limitations of substitutional doping, this review aims to propel future research and technological advancements in this exciting field.

36 MATERIALS SCIENCE↗
NASA NTRS2002

Photoluminescence of CdTe Crystals Grown by Physical Vapor Transport

High quality CdTe crystals with resistivities higher than 10(exp 8) omega cm were grown by the physical vapor transport technique. Indium, Aluminum, and the transition metal Scandium were introduced at the nominal level of about 6 ppm to the source material. Low-temperature photoluminescence (PL) has been employed to identify the origins of PL emissions of the crystals. The emission peaks at 1.584 eV and 1.581 eV were found only in the In-doped crystal. The result suggests that the luminescence line at 1.584 eV is associated with Cd-vacancy/indium complex. The intensity of the broadband centered at 1.43 eV decreases strongly with introduction of Sc.

Palosz, W.↗
NASA NTRS2003

Photoluminescence of CdTe Crystals Grown by Physical-Vapor Transport

High-quality CdTe crystals with resistivities higher than 10(exp 8) omega cm were grown by the physical-vapor transport (PVT) technique. Indium, aluminum, and the transition-metal scandium were introduced at the nominal level of about 6 ppm to the source material. Low-temperature photoluminescence (PL) has been employed to identify the origins of PL emissions of the crystals. The emission peaks at 1.584 eV and 1.581 eV were found only in the In-doped crystal. The result suggests that the luminescence line at 1.584 eV is associated with Cd-vacancy/In complex. The intensity of the broadband centered at 1.43 eV decreases strongly with introduction of Sc.

Palosz, W.↗
NASA NTRS2002

Photoluminescence of CdTe Crystals Grown by Physical Vapor Transport

High quality CdTe crystals with resistivities higher than 10(exp 8) omega cm were grown by the physical vapor transport technique. Indium, Aluminum, and the transition metal Scandium were introduced at the nominal level of about 6 ppm to the source material. Low-temperature photoluminescence (PL) has been employed to identify the origins of PL emissions of the crystals. The emission peaks at 1.584 eV and 1.581 eV were found only in the In-doped crystal. The result suggests that the luminescence line at 1.584 eV is associated with Cd-vacancy/indium complex. The intensity of the broadband centered at 1.43 eV decreases strongly with introduction of Sc.

Curreri, Peter A.↗
NASA NTRS2010

Improvement in the Shape Memory Response of Ti50.5Ni24.5Pd25 High-Temperature Shape Memory Alloy with Scandium Microalloying

A Ti(50.5)Ni(24.5)Pd25 high-temperature shape memory alloy (HTSMA) is microalloyed with 0.5 at. pct scandium (Sc) to enhance its shape-memory characteristics, in particular, dimensional stability under repeated thermomechanical cycles. For both Ti(50.5)Ni(24.5)Pd25 and the Sc-alloyed material, differential scanning calorimetry is conducted for multiple cycles to characterize cyclic stability of the transformation temperatures. The microstructure is evaluated using electron microscopy, X-ray diffractometry, and wavelength dispersive spectroscopy. Isobaric thermal cycling experiments are used to determine transformation temperatures, dimensional stability, and work output as a function of stress. The Sc-doped alloy displays more stable shape memory response with smaller irrecoverable strain and narrower thermal hysteresis than the baseline ternary alloy. This improvement in performance is attributed to the solid solution hardening effect of Sc.

Atli, K. C.↗
DOE OSTI2025

First principles investigation of dopants and defect complexes in CdSe$_x$Te$_{1-x}$

Se alloying is a common approach to improve the performance of CdTe solar cells by tuning the bandgap, defect levels, and carrier density. A fundamental understanding of these improvements, specifically the effect of Se alloying on the behavior of defects and dopants in CdTe, remains unclear. Here, in this work, we present a density functional theory (DFT) study of point defect energetics in CdTe and CdSe x Te 1-x with x = 0.25, leading to a comparison of how native defects, dopants (As and Cu), impurities (Cl and O), and related defect complexes behave in CdTe vs CdSe x Te 1-x . Our calculations, performed by combining semi-local and nonlocal hybrid functionals, show a general lowering of the formation energies of native defects as well as substitutional defects formed by As and Cl upon Se addition. For successful p-type doping with As, destabilizing Cl-based defects in the CdSeTe lattice would be essential. We find evidence for some low-energy defect complexes of As, Cl, and O in CdSe 0.25 Te 0.75 . The computed defect formation energies further enable estimates of temperature-dependent defect concentrations and self-consistent Fermi levels. A comparison of defect energetics with the energies of impurity phases reveals that As, Cu, Cl, and O overwhelmingly prefer being segregated to unwanted As 2 O 5 , AsCl 3 , Cd 2 AsCl 2 , and CuO x phases rather than remain at defect sites, but such segregation is less likely to happen in CdSe 0.25 Te 0.75 than in CdTe. Overall, our work presents a list of likely defects and complexes in CdTe and Se-incorporated CdTe, paving the way to explain and mitigate limited dopant activation in experimental observations.

CdTe↗
NASA NTRS1995

Multiwavelength infrared focal plane array detector

A multiwavelength focal plane array infrared detector is included on a common substrate having formed on its top face a plurality of In.sub.x Ga.sub.1-x As (x.ltoreq.0.53) absorption layers, between each pair of which a plurality of InAs.sub.y P.sub.1-y (y<1) buffer layers are formed having substantially increasing lattice parameters, respectively, relative to said substrate, for preventing lattice mismatch dislocations from propagating through successive ones of the absorption layers of decreasing bandgap relative to said substrate, whereby a plurality of detectors for detecting different wavelengths of light for a given pixel are provided by removing material above given areas of successive ones of the absorption layers, which areas are doped to form a pn junction with the surrounding unexposed portions of associated absorption layers, respectively, with metal contacts being formed on a portion of each of the exposed areas, and on the bottom of the substrate for facilitating electrical connections thereto.

Forrest, Stephen R.↗
NASA NTRS1980

Evaluation of present-day thermal barrier coatings for industrial/utility applications

Atmospheric burner rig tests have been conducted to evaluate the corrosion resistance of present-day thermal barrier coatings. The coatings are primarily plasma-sprayed and zirconia-based. Both duplex and graded coating systems were tested at a gas temperature of 2100 F and metal temperatures that range from 1475 F to 1650 F. The fuels ranged from clean GT No. 2 to that doped with impurity levels which simulate water-washed residual fuels. Results to date suggest that liquid sulfate condensates play an important role in the coating degradation mechanisms, whereas the role of vanadium and its salts is less clear.

Bratton, R. J.↗
NASA NTRS1982

Defects and annealing studies in 1-Me electron irradiated (AlGa)As-GaAs solar cells

The deep-level defects and recombination mechanisms in the one-MeV electron irradiated (AlGa)As-GaAs solar cells under various irradiation and annealing conditions are discussed. Deep-level transient spectroscopy (DLTS) and capacitance-voltage (CV) techniques were used to determine the defect and recombination parameters such as energy levels and defect density, carrier capture cross sections and lifetimes for both electron and hole traps as well as hole diffusion lengths in these electron irradiated GaAs solar cells. GaAs solar cells used in this study were prepared by the infinite solution melt liquid phase epitaxial (LPE) technique at Hughes Research Lab., with (Al0.9Ga0.1)-As window layer, Be-diffused p-GaAs layer on Sn-doped n-GaAs or undoped n-GaAs active layer grown on n(+)-GaAs substrate. Mesa structure with area of 5.86x1000 sq cm was fabricated. Three different irradiation and annealing experiments were performed on these solar cells.

Li, S. S.↗
NASA NTRS1996

Method of fabricating multiwavelength infrared focal plane array detector

A multiwavelength local plane array infrared detector is included on a common substrate having formed on its top face a plurality of In.sub.x Ga.sub.1-x As (x.ltoreq.0.53) absorption layers, between each pair of which a plurality of InAs.sub.y P.sub.1-y (y.ltoreq.1) buffer layers are formed having substantially increasing lattice parameters, respectively, relative to said substrate, for preventing lattice mismatch dislocations from propagating through successive ones of the absorption layers of decreasing bandgap relative to said substrate, whereby a plurality of detectors for detecting different wavelengths of light for a given pixel are provided by removing material above given areas of successive ones of the absorption layers, which areas are doped to form a pn junction with the surrounding unexposed portions of associated absorption layers, respectively, with metal contacts being formed on a portion of each of the exposed areas, and on the bottom of the substrate for facilitating electrical connections thereto.

Forrest, Stephen R.↗
DOE OSTI2024

Defect Engineering of Bi 2 SeO 2 Thermoelectrics

Abstract Bi 2 SeO 2 is a promising n ‐type semiconductor to pair with p ‐type BiCuSeO in a thermoelectric (TE) device. The TE figure of merit zT and, therefore, the device efficiency must be optimized by tuning the carrier concentration. However, electron concentrations in self‐doped n ‐type Bi 2 SeO 2 span several orders of magnitude, even in samples with the same nominal compositions. Such unsystematic variations in the electron concentration have a thermodynamic origin related to the variations in native defect concentrations. In this study, first‐principles calculations are used to show that the selenium vacancy, which is the source of n ‐type conductivity in Bi 2 SeO 2 , varies by 1–2 orders of magnitude depending on the thermodynamic conditions. It is predicted that the electron concentration can be enhanced by synthesizing under more Se‐poor conditions and/or at higher solid‐state reaction temperatures ( T SSR ), which promote the formation of selenium vacancies without introducing extrinsic dopants. The computational predictions are validated through solid‐state synthesis of Bi 2 SeO 2 . More than two orders of magnitude increase are observed in the electron concentration simply by adjusting the synthesis conditions. Additionally, a significant effect of grain boundary scattering on the electron mobility in Bi 2 SeO 2 is revealed, which can also be controlled by adjusting T SSR . By simultaneously optimizing the electron concentration and mobility, a zT of ≈0.2 is achieved at 773 K for self‐doped n ‐type Bi 2 SeO 2 . The study highlights the need for careful control of thermodynamic growth conditions and demonstrates TE performance improvement by varying synthesis parameters according to thermodynamic guidelines.

Novitskii, Andrei [MANA, National Institute for Ma↗