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At least 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Perpendicular magnetic anisotropy in half-metallic thin-film Co 2 CrAl

Magnetocrystalline anisotropy (MCA) is one of the key parameters investigated in spin-based electronics (spintronics), e.g. for memory applications. Here, we employ first-principles calculations to study MCA in thin film full Heusler alloy Co 2 CrAl. This material was studied in the past, and has been reported to exhibit half-metallic electronic structure in bulk geometry. In our recent work, we showed that it retains a 100% spin-polarization in thin-film geometry, at CrAl atomic surface termination. Here, we show that the same termination results in a perpendicular magnetic anisotropy, while Co surface termination not only destroys the half-metallicity, but also results in in-plane magnetization orientation. In addition, for films thicker than around 20 nm the contribution from magnetic shape anisotropy may become decisive, resulting in in-plane magnetization orientation. To the best of our knowledge, this is one of the first reports of half-metallic thin-film surfaces with perpendicular magnetic anisotropy. Furthermore, this result may be of interest for potential nano-device applications, and may stimulate a further experimental study of this and similar materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Dislocation-Assisted Quasi-Two-Dimensional Semiconducting Nanochannels Embedded in Perovskite Thin Films

Defect engineering in perovskite thin films has attracted extensive attention recently due to the films’ atomic-scale modification, allowing for remarkable flexibility to design novel nanostructures for next generation nanodevices. However, the defect-assisted three-dimensional nanostructures in thin film matrices usually has large misfit strain and thus causes unstable thin film structures. In contrast, defect-assisted one- or two-dimensional nanostructures embedded in thin films can sustain large misfit strains without relaxation, which make them suitable for defect engineering in perovskite thin films. Here, we reported the fabrication and characterization of edge-type misfit dislocation-assisted two-dimensional BiMnO x nanochannels embedded in SrTiO 3 /La 0.7 Sr 0.3 MnO 3 /TbScO 3 perovskite thin films. The nanochannels are epitaxially grown from the surrounding films without noticeable misfit strain. Diode-like current rectification was spatially observed at nanochannels due to the formation of Schottky junctions between BiMnO x nanochannels and conducting La 0.7 Sr 0.3 MnO 3 thin films. Such atomically scaled heterostructures constitute more flexible ultimate functional units for nanoscale electronic devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Atomic Structure of the Initial Nucleation Layer in Hexagonal Perovskite BaRuO 3 Thin Films

Hexagonal perovskites are an attractive family of materials due to their various polymorphs and rich structure–property relationships. BaRuO 3 (BRO) is a prototypical hexagonal perovskite, in which the electromagnetic properties are significantly modified depending on its lattice structure. Whereas thin-film synthesis would allow the study of the diverse properties of hexagonal perovskites by epitaxially stabilizing various metastable polymorphs, the epitaxial growth of hexagonal perovskites, especially at the initial growth stage, is yet to be addressed. In this study, it is shown that an intriguing nucleation behavior takes place during the initial stabilization of a hexagonal 9R BRO thin film deposited on a (111) SrTiO 3 (STO) substrate. It is found that a nanoscale strained layer composed of different RuO 6 octahedral stacking is initially formed at the interface followed by a relaxed single crystal 9R BRO thin film. Within the interface layer, hexagonal BRO is nucleated on the (111) STO substrate by both face- and corner-sharing octahedra. More interestingly, it is found that boundaries between differently stacked nucleation layers (heterostructural boundaries) facilitate strain relaxation, in addition to the formation of conventional misfit dislocations evolved from homostructural boundaries. The observations reveal an important underlying mechanism to understand the thin-film epitaxy and strain accommodation in hexagonal perovskites.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Interface atomic structures in a cadmium arsenide/III–V semiconductor heterostructure

The interface atomic structure between an epitaxial thin film of the prototype topological semimetal cadmium arsenide (Cd 3 As 2 ) and a III–V semiconductor layer is investigated using high-angle annular dark-field imaging in an aberration-corrected scanning transmission electron microscope. We find that the interface unit cell adopts a defined stoichiometry that is CdSb-like, which is achieved through the insertion of periodically arranged Cd vacancies in the terminating Cd-plane of Cd 3 As 2 . This interface stoichiometry is consistent with the Sb-termination of the III–V layer and the fact that CdSb is the thermodynamically stable phase in the Cd–Sb binary system. We find at least two distinct alignments of the film with respect to the buffer layer, which are characterized by a $\frac{1}{4}$ <100> Cd 3 As 2 shift parallel to the interface. We show that steps of half unit cell height in the III–V layer can produce these distinct interface structures.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

A Thermodynamic Investigation of Ni on Thin-Film Titanates (ATiO3)

Thin, ~1-nm films of CaTiO3, SrTiO3, and BaTiO3 were deposited onto MgAl2O4 by Atomic Layer Deposition (ALD) and then studied as catalyst supports for ~5 wt % of Ni that was added to the perovskite thin films by Atomic Layer Deposition. Scanning Transmission Electron Microscopy demonstrated that both the Ni and the perovskites uniformly covered the surface of the support following oxidation at 1073 K, even after redox cycling, but large Ni particles formed following a reduction at 1073 K. When compared to Ni/MgAl2O4, the perovskite-containing catalysts required significantly higher temperatures for Ni reduction. Equilibrium constants for Ni oxidation, as determined from Coulometric Titration, indicated that the oxidation of Ni shifted to lower PO2 on the perovskite-containing materials. Based on Ni equilibrium constants, Ni interactions are strongest with CaTiO3, followed by SrTiO3 and BaTiO3. The shift in the equilibrium constant was shown to cause reversible deactivation of the Ni/CaTiO3/MgAl2O4 catalyst for CO2 reforming of CH4 at high CO2 pressures, due to the oxidation of the Ni.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

In Situ Analysis of Electron-Induced Chemical Transformations in Vapor-Phase-Synthesized Al-Based Inorganic–Organic Hybrid Thin Films for EUV Resist Platform

The rapid advancement and stringent requirements of extreme ultraviolet (EUV) lithography technology necessitate the development of advanced photoresist systems for next-generation microelectronics. Recent studies have demonstrated that inorganic-based hybrid photoresists offer notable improvements in EUV sensitivity, etch resistance, and greater insusceptibility to pattern collapse compared to their purely organic counterparts. However, variations in the synthesis/coating approaches and chemistry of inorganic–organic photoresists can result in distinct exposure mechanisms. In this work, an Al-based hybrid thin film resist system synthesized via molecular (atomic) layer deposition (MLD or MALD) is explored, focusing on its electron-beam and EUV patterning mechanisms. The Al-based hybrid thin films are deposited using trimethylaluminum (TMA) and the organic precursor hydroquinone, exhibiting a saturated growth rate within the temperature range of 150–200°C. In diluted tetramethylammonium hydroxide (TMAH)-based developer solutions, the electron-irradiated Al-based hybrid thin film system behaves as a negative tone resist, achieving a sensitivity of 10.4 mC/cm 2 at 0.1 kV electron beam lithography (EBL). Chemical changes induced by electron exposure are also analyzed in this study using X-ray photoelectron spectroscopy (XPS), Raman spectroscopy, and a unique infrared spectroscopy setup, revealing the potential cross-linking pathways. To further correlate the electron-induced chemical transformations with those mediated by EUV irradiations, a combination of X-ray photoemission electron microscopy/low-energy electron microscopy (XPEEM/LEEM) system is also employed. In conclusion, this study provides critical insights into the mechanisms underlying solubility switching and contributes to the design of advanced resist materials for EUV lithography.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Superconducting phase transitions in disordered NbTiN films

Suppression of superconductivity in disordered systems is a fundamental problem of condensed matter physics. Here we investigate superconducting niobium-titanium-nitride (Nb 1-x Ti x N) thin films grown by the atomic layer deposition (ALD) with slightly different growth process parameters. We observe a smooth crossover from the disorder-driven superconductor-normal metal transition (SMT) to the superconductor-insulator transition (SIT) via the intermediate Bose metal state detected by the low-temperature saturation of the temperature dependence of the sheet resistance. We demonstrate that the SIT via the intervening Bose metal state occurs if the sheet resistance of the film in the maximum, R max prior to the superconducting drop of R(T), exceeds R q = h/4e 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Carbon doping in GeTe drives differences in local structure and properties

Advances in low-power, energy-efficient information storage and computing require understanding and controlling the atomic and nanoscale structures of functional materials, such as phase-change materials. Phase-change memory technology enables nonvolatile, low-power memory in devices by storing information through reversible changes in a phase-change material's atomic structure (i.e., transformations between amorphous and crystalline phases) that have corresponding changes in properties, including electronic resistivity and optical reflectivity. Here, we apply complementary X-ray absorption spectroscopy and X-ray pair distribution function analyses to experimentally identify the local- and medium-range atomic structure differences of GeTe and C-doped GeTe thin films. Upon controlled heating, composition- and temperature-dependent atomic structure evolution in GeTe and C-doped GeTe films shows differences in bonding behavior and local structure that directly influence crystallization onset temperature. We find that the introduction of C interrupts Ge–Ge bonds in amorphous GeTe, altering the as-deposited structure to be more similar to the distorted rocksalt structure of crystalline α–GeTe. The change alters the response of the amorphous atomic structure to heating and also lowers the crystallization onset temperature, from 230 °C in GeTe to 220 °C in the C-doped film. The combined insights from both X-ray techniques provide understanding of structural transformations that enables the development and optimization of next-generation memory and computing materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Tailoring the Spin Reorientation Transition of Co Films by Pd Monolayer Capping

We have characterized the magnetization easy-axis of ultra-thin Co films (2–5 atomic layers, AL) grown on Ru(0001) when they are capped with a monolayer of Pd. The addition of a Pd monolayer turns the magnetization of 3 and 4 AL-thick Co films from an in-plane to an out-of-plane alignment, but not that of a 5 AL-thick film. These observations are explained in terms of an enhancement of the surface anisotropy. The exposure of the sample to hydrogen, CO or a combination of both gases does not overcome this effect.

Chemistry↗
NASA NTRS1985

Results of examination of materials from the solar maximum recovery mission

Four years and two months in space at 310 nautical miles orbit has produced different effects on Kapton, silver/Teflon, and on aluminum. Kapton, a polyimide, lost up to 31% in thickness, though other locations showed much less loss. The degradation of silver/Teflon was drastic but very localized, due perhaps to the formation of silver oxide, Ag2O, through cracks in the protective Inconel layer which exposed the silver to the oxygen atom environment. Penetrations of the thin aluminum sheet in the form of thermal louvers and also of the thermal blanket material due to unknown particles were unexpected, making the debris a potentially serious problem because of the threat of damage to components.

Park, J. J.↗
NASA NTRS1986

Development of composite facets for the surface of a space-based solar dynamic concentrator

An account is given of the composite fabrication techniques envisioned for the production of mirror-quality substrates furnishing the specular reflectance required for the NASA Space Station's solar dynamic concentrator energy system. The candidate materials were graphite fiber-reinforced glass, aluminum, and polymer matrices whose surfaces would be coated with thin metal layers and with atomic oxygen degradation-inhibiting protective coatings to obtain the desired mirror surface. Graphite-epoxy mirror substrate samples have been found to perform satisfactorily for the required concentrator lifetime.

Ayers, Schuyler R.↗
NASA NTRS1993

The early ultraviolet spectral evolution of Nova Cygni 1992

We report on the high resolution ultraviolet line profile evolution of Nova Cygni 1992 using the International Ultraviolet Explorer (IUE) satellite and the Goddard High Resolution Spectrograph (GHRS) on the Hubble Space Telescope (HST). Our observations cover the period from discovery in 1992 February through 1993 April. The initial expansion velocity, derived from P Cyg profiles on Mg II and other resonance lines, was about 4500 km/s. All resonance transitions displayed P Cyg profiles around the time of UV maximum. We first discuss the spectral development as the initially optically thick atomic absorption curtain became optically thin. We then present the interpretation of the nebular spectral stage. The high resolution line profiles show that the shell rapidly developed nearly symmetric knots, or filaments, of emission. The optically thin transitions show an emission weighted expansion velocity of about 1800 km/s, consistent with the velocity inferred from the radio and infrared data. The emission lines display a symmetric set of filaments that appeared as soon as the line profiles became optically thin. The GHRS observations demonstrate that the filaments were located in the inner, slower moving parts of the ejecta. These probably record an initial low wave number instability imposed on the ejecta at the time of outburst. We suggest that the likely cause is a Rayleigh-Taylor instability. The emission at later stages is dominated by the filaments and, since this phenomenon is seen in virtually all novae, nebular line formation codes will have to account for the density inhomgeneities in order to adequately determine abundances for nove ejecta.

Shore, Steven N.↗
NASA NTRS2009

Overview of Materials International Space Station Experiment 7B

Materials International Space Station Experiment 7B (MISSE 7B) is the most recent in a series of experiments flown on the exterior of International Space Station for the purpose of determining the durability of materials and components in the space environment. A collaborative effort among the Department of Defense, the National Aeronautics and Space Administration, industry, and academia, MISSE 7B will be flying a number of NASA experiments designed to gain knowledge in the area of space environmental effects to mitigate risk for exploration missions. Consisting of trays called Passive Experiment Containers, the suitcase sized payload opens on hinges and allows active and passive experiments contained within to be exposed to the ram and wake or zenith and nadir directions in low Earth orbit, in essence, providing a test bed for atomic oxygen exposure, ultraviolet radiation exposure, charged particle radiation exposure, and thermal cycling. New for MISSE 7B is the ability to monitor experiments actively, with data sent back to Earth via International Space Station communications. NASA?s active and passive experiments cover a range of interest for the Agency. Materials relevant to the Constellation Program include: solar array materials, seal materials, and thermal protection system materials. Materials relevant to the Exploration Technology Development Program include: fabrics for spacesuits, materials for lunar dust mitigation, and new thermal control coatings. Sensors and components on MISSE 7B include: atomic oxygen fluence monitors, ultraviolet radiation sensors, and electro-optical components. In addition, fundamental space environmental durability science experiments are being flown to gather atomic oxygen erosion data and thin film polymer mechanical and optical property data relevant to lunar lander insulation and the James Web Space Telescope. This paper will present an overview of the NASA experiments to be flown on MISSE 7B, along with a summary of the thermal environment to be expected during the 1 yr mission scheduled for launch in 2009.

Jaworske, Donald A.↗
NASA NTRS2003

Curved Focal-Plane Arrays Using Back-Illuminated High-Purity Photodetectors

Curved-focal-plane arrays of back-illuminated silicon-based photodetectors are being developed. The basic idea is to improve the performance of an imaging instrument and simplify the optics needed to obtain a given level of performance by making an image sensor (e.g., a photographic film or an array of photodetectors) conform to a curved focal surface, instead of following the customary practice of designing the optics to project an image onto a flat focal surface. Eyes are natural examples of optical systems that have curved focal surfaces on which image sensors (retinas) are located. One prior approach to implementation of this concept involves the use of curved-input-surface microchannel plates as arrays of photodetectors. In comparison with microchannel plates, these curved-focal-plane arrays would weigh less, operate at much lower voltages, and consume less power. It should also be possible to fabricate the proposed devices at lower cost. It would be possible to fabricate an array of photodetectors and readout circuitry in the form of a very-large-scale integrated (VLSI) circuit on a curved focal surface, but it would be difficult and expensive to do so. In a simple and inexpensive alternate approach, a device (see figure) would have (1) a curved back surface, onto which light would be focused; and (2) a flat front surface, on which VLSI circuitry would be fabricated by techniques that are well established for flat surfaces. The device would be made from ultrapure silicon, in which it is possible to form high-resistivity, thick photodetectors that are fully depleted through their thicknesses. (As used here, "thick means having a thickness between a fraction of a millimeter and a few millimeters.) The back surface would be polished to the curvature of the focal surface of the intended application. To enable the collection of charge carriers excited by photons near the back surface or in the bulk of the device, it would be necessary to form a transparent or semitransparent back-surface electrode, possibly by delta doping. [Delta doping is so named because its density-vs.-depth characteristic is reminiscent of the Dirac function (impulse function): the dopant is concentrated in a very thin layer - nominally, a single atomic layer.]

Nikzad, Shouleh↗
DOE OSTI2021

Phase Stability of Yttrium Titanium Oxide

This proposed study aims at elevating Idaho National Laboratory (INL)’s portfolio in nuclear material research on two major fronts: 1) expanding INL’s material characterization capabilities to provide holistic microstructural and microchemical characterization ranging from atomic scale to millimeter scale, and 2) filling the knowledge gap on the effect of microstructural evolution on material phase stability at extreme conditions resembling those inside nuclear reactors, using Yttrium-Titanium-Oxide (YTO) as a model material. Previous research indicated the kinetics of phase transition of YTO materials varies between bulk samples and powder samples, suggesting that microstructural characteristics such as defect, micro-strain, and crystallite size could play a significant role in phase transition. The effect of crystallite size on the thermodynamics of phase transition has been well documented for other ceramic materials at nanometer crystallite size, with potential impacts from surface and strain energy and defects. In this proposed study, we will perform microstructural (micro-strain, crystallite size, defects, phase) and microchemical (elemental mapping) analyses through in-situ high temperature measurements using X-ray diffraction (XRD; at millimeter scale for powder and bulk samples) and transmission electron microscopy (TEM, at nanometer scale and atomic scale for powder and thin foil samples), to provide a comprehensive view of the effect of microstructural and microchemical evolution on phase transition and phase stability of YTO materials. These findings will also establish a roadmap and provide new insights on the phase stability of other materials that are critical to nuclear energy and other renewable energy infrastructure. Besides advancing our understanding of this fundamental material science question, this project will also enable the development of state-of-the-art material characterization capabilities at INL/MFC for microstructural and microchemical analysis at high temperature conditions. The new collaboration between the High-Resolution Materials Characterization group at INL and the Electron Microscopy group at the University of Florida (UF) in this project will open the possibilities for more fruitful and synergetic cutting-edge nuclear material research in the future.

36 MATERIALS SCIENCE↗
NASA NTRS1988

Atomic oxygen effects measurements for shuttle missions STS-8 and 41-G

The effects of the atomic oxygen interactions upon optical coatings, thin metallized films, and advanced spacecraft materials, such as high temperature coatings for infrared optical systems are summarized. Also included is a description of a generic model proposed by JPL, which may explain the atomic oxygen interaction mechanisms that lead to surface recession and weight loss.

James T Visentine↗
DOE OSTI2022

Elucidating CO Oxidation Pathways on Rh Atoms and Clusters on the “29” Cu 2 O/Cu(111) Surface

We report single-atom catalysts have attracted a great deal of attention due to their distinct reactivity and potential for cost savings. However, despite the wealth of literature in recent years, identifying the exact nature of the active sites and associated reaction mechanisms remains challenging in many cases. Herein, we take a surface science approach to understand how Rh single atoms and small clusters behave on the thin film “29” Cu 2 O grown on Cu(111). We find that in contrast to Pt, which is present solely as single atoms on the “29” Cu 2 O surface, Rh atoms and clusters coexist and each enable low-temperature CO oxidation, but via different pathways. Specifically, the single Rh atoms produce CO 2 at 444 K via a Mars van Krevelen mechanism whereas the Rh clusters can also dissociate CO, as demonstrated via isotope labeling, and liberate CO 2 at 313 K. Density functional theory (DFT) calculations quantify the energetics of these different pathways and demonstrate that only extended Rh is capable of CO dissociation. Low-temperature scanning tunneling microscopy (STM) reveals that unlike Pt atoms on the same surface, which stay atomically dispersed, the distribution of Rh structures is dependent on pretreatment conditions. DFT calculations reveal the greater tendency of Rh atoms to cluster than Pt, and STM image simulations confirm the active sites. Ambient pressure X-ray photoelectron spectroscopy studies on the same single crystal model systems demonstrate that 1% of a monolayer of Rh on the “29” Cu 2 O thin film significantly accelerates its reduction by CO at 400 K, thus confirming the ultrahigh vacuum surface science findings. Together, these results illustrate how well-defined single crystal experiments are useful in building structure–function relationships that elucidate the reactivity of different ensemble sizes with a level of detail beyond what is possible with high surface area catalysis.

36 MATERIALS SCIENCE↗
NASA NTRS1992

Atomic oxygen effects on LDEF experiment A0171

Mass and thickness changes measured in thin films, composites, polymers, metals, and paints from LDEF Experiment A0171 are presented. Atomic oxygen accommodation and reactivity numbers along with morphology features are shown for a variety of A0171 materials. The validity of predicting long term erosion rates will be assessed from short term environmental exposures.

Whitaker, Ann F.↗