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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Dimensional crossover and band topology evolution in ultrathin semimetallic NiTe 2 films

Nickel ditelluride (NiTe 2 ), a recently discovered Type-II Dirac semimetal with topological Dirac fermions near the Fermi energy, is expected to exhibit strong thickness-mediated electronic tunability and intrinsic two-gap superconductivity in the single-layer limit. Realizing such intriguing phenomena requires the fabrication of ultrathin NiTe 2 films and an understanding of the underlying physics that is still under debate. By conducting experimental band mappings of ultrathin films prepared with molecular beam epitaxy, we reveal spectroscopic evidence for the dimensionality crossover of single-crystalline ultrathin NiTe 2 films as a function of film thickness. As the film thickness increases from one to five layers, the gap in the conical topological surface states closes. Comparisons of experimental to first-principles results also highlight difficulties in fabricating atomically smooth single-layer NiTe 2 films. Our results not only provide further impetus for studying emergent phenomena in NiTe 2 but also underscore the limitations of fabricating NiTe 2 films for device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Crystallization of TiO 2 polymorphs from RF-sputtered, amorphous thin-film precursors

Crystalline TiO 2 films of anatase, brookite, and rutile are reproducibly made from amorphous precursors deposited by RF magnetron sputtering, producing large-area, single phase films of uniform thickness. Sputtered amorphous TiO 2 precursor thin films follow the general behavior observed for amorphous precursor thin films generated by pulsed laser deposition, namely, that oxygen deficiency is necessary for the formation of brookite and rutile. We quantify the oxygen deficiency and correlate it with the long wavelength optical absorption. We find that the precursor deposition rate is also a contributing factor to phase selection and that brookite and rutile form from films deposited more rapidly and anatase from films deposited more slowly. Sputtered and pulsed laser deposited amorphous precursor films prepared with similar oxygen deficiency and similar thickness result in the same final state after annealing, but the rate for sputtered precursors is slower.

14 SOLAR ENERGY↗
DOE OSTI2020

Magnetic and transport properties of amorphous, B 2 and L 2 1 Co 2 MnGa thin films

We have studied the magnetic and transport properties of Co 2 MnGa (CMG) thin films grown on MgO(100) substrates in terms of their chemical evolution from amorphous to ordered L 2 1 phases at the substrate temperature T s during the thin film deposition. Interestingly, the chemical order and magnetic properties sharply change depending on T s . The CMG film deposited at T s = 550 °C exhibits the L 2 1 -ordered structure and the magnetization of 3.5 μ B /f.u., while the CMG film deposited at T s = 300 °C shows a B 2-ordered structure and a relatively lower magnetization of 3 μ B /f.u., possibly due to the Mn–Mn antiferromagnetic interactions. A metallic behavior of the electrical resistivity appeared in the CMG film deposited at T s = 550 °C, whereas the semiconducting behavior appeared in the CMG films deposited at 300 °C and room temperature. Moreover, we found that the absolute value of α = d(Δ ρ )/d( T 1/2 ) in the low-temperature range below about 20 K is a measure to evaluate the degree of the chemical disorder. In a Hall effect measurement, the L 2 1 -ordered CMG film obtained at T s = 550 °C shows a sizable anomalous Hall resistivity of 15 µ Ω cm. This study unveils the relation between T s and atomic ordering, providing a new pathway for optimizing the chemical order.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Effect of substrate temperature on sputter-deposited boron carbide films

Sputter deposition of B4C films with tailored physical properties remains a challenge. Here, we systematically study how substrate temperature influences the properties of B4C films deposited by direct current magnetron sputtering onto planar substrates held at temperatures in the range of 100-510°C. Results show that all films are amorphous stoichiometric B4C, with low O content of ~1 at. %. Films deposited onto substrates at 100°C exhibit high compressive residual stress and decreased mechanical properties. Therefore, for elevated substrate temperatures in the range of 180-510°C, film mass density, surface roughness, Young’s modulus, and hardness are weakly dependent on substrate temperature. However, in this temperature range, an increase in substrate temperature leads to larger residual compressive stress accompanied by a corresponding reduction in the concentration of nanoscale inhomogeneities. At least for the landing atom ballistics conditions studied here, a substrate temperature range of ~185-250°C is optimum for growing films with near-zero intrinsic residual stress. The overall weak substrate temperature dependence of film properties revealed in this work is favorable for the development of a robust deposition process, particularly for the case of deposition onto non-planar substrates where temperature control is often challenging.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Synthesis of La 2–x Sr x CuO 4 films via atomic layer-by-layer molecular beam epitaxy

Atomic layer-by-layer molecular beam epitaxy (ALL-MBE) is a sophisticated technique to synthesize high-temperature superconductor (HTS) materials. ALL-MBE produces single-crystal HTS films with atomically smooth surfaces and interfaces, as well as precise multilayer heterostructures engineered down to a single atomic layer level. This enables the fabrication of tunnel junctions, nanowires, nanorings, and other HTS devices of interest. Our group has focused on ALL-MBE synthesis and materials science of La 2–x Sr x CuO 4 (LSCO), a representative HTS cuprate. In the past two decades, we have synthesized over three thousand LSCO thin films and characterized them by a range of analytical techniques. Here, we present in full detail a systematic process for the synthesis and engineering of atomically perfect LSCO films. The procedure includes the preparation of substrates, calibration of the elemental sources, the recipe for ALL growth of LSCO films without any secondary-phase precipitates, post-growth annealing of the films, and ex situ film characterization. This report should aid replication and dissemination of this technique of synthesizing single-crystal LSCO films for basic research as well as for HTS electronic applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Structural anisotropy in Sb thin films

Sb thin films have attracted wide interest due to their tunable band structure, topological phases, high electron mobility, and thermoelectric properties. We successfully grow epitaxial Sb thin films on a closely lattice-matched GaSb(001) surface by molecular beam epitaxy. We find a novel anisotropic directional dependence on their structural, morphological, and electronic properties. The origin of the anisotropic features is elucidated using first-principles density functional theory (DFT) calculations. The growth regime of crystalline and amorphous Sb thin films was determined by mapping the surface reconstruction phase diagram of the GaSb(001) surface under Sb 2 flux, with confirmation of structural characterizations. Crystalline Sb thin films show a rhombohedral crystal structure along the rhombohedral (211) surface orientation parallel to the cubic (001) surface orientation of the GaSb substrate. At this coherent interface, Sb atoms are aligned with the GaSb lattice along the [1̄10] crystallographic direction but are not aligned well along the [110] crystallographic direction, which results in anisotropic features in reflection of high-energy electron diffraction patterns, misfit dislocation formation, surface morphology, and transport properties. Our DFT calculations show that the preferential orientation of the rhombohedral Sb (211) plane may originate from the GaSb surface, where Sb atoms align with the Ga and Sb atoms on the reconstructed surface. The formation energy calculations confirm the stability of the experimentally observed structures. Our results provide optimal film growth conditions for further studies of novel properties of Bi 1-x Sb x thin films with similar lattice parameters and an identical crystal structure, as well as functional heterostructures of them with III–V semiconductor layers along the (001) surface orientation, supported by a theoretical understanding of the anisotropic film orientation.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Local structure of zinc–indium–tin oxide films via grazing-incidence x-ray pair-distribution functions and theoretical methods

A detailed experimental and theoretical study on the local (r ≤ 4.5 Å) atomic structure of amorphous and crystalline zinc–indium–tin oxide (ZITO) thin films using grazing-incidence x-ray Pair-Distribution Functions (PDFs), ab initio Molecular Dynamics (MD), and Empirical Potential Structure Refinement (EPSR) Monte Carlo simulations is presented. High-energy synchrotron x rays, a two-dimensional detector, and different incident angles were used to probe the depth uniformity of five (ZnO) 0.15 (In 2 O 3 ) 0.70 (SnO 2 ) 0.15 films that were deposited via pulsed-laser deposition at growth temperatures (T G ) ranging from 25 to 300 °C. Films deposited at T G ≤ 150 °C were amorphous. The partially crystalline (T G = 200 °C) and fully crystalline (T G = 300 °C) films were highly textured. Both crystalline and amorphous structures were investigated using ab initio MD and EPSR Monte Carlo simulations. The density of the amorphous films determined from the experimental data agreed with MD calculations. Coordination numbers, bond lengths, and distortion for metal–oxygen and for both the edge- and corner-shared In–metal shells up to 4.5 Å obtained from PDF analysis closely agreed with MD and EPSR simulations. There is a pronounced decrease in the edge- and corner-shared In–Zn distances arising from the shorter Zn–O bond length, Zn–O tetrahedral coordination, and In–O–Zn angle in amorphous ZITO compared to its crystalline counterpart. A maximum in electrical mobility was observed for the amorphous film just before crystallization occurred. While the peak is broad, consistent with nearly unchanged overall cation–oxygen coordination in the amorphous films, ESPR results indicate that the tetrahedral coordination follows the conductivity trend.

Grazing Incidence X-ray↗
DOE OSTI2025

Crack formation in strained β-(AlxGa 1−x ) 2 O 3 films grown on (010) β-Ga 2 O 3 substrates

The cracking and local strain relaxation in (010) (Al x Ga 1−x ) 2 O 3 films grown on Ga 2 O 3 substrates are assessed in terms of film composition and thickness. We utilize x-ray diffraction and electron microscopy techniques combined with simulation and modeling to investigate that film cracking on curvature (flatness) has a directly proportional relationship with film thickness and/or aluminum content. Cross section transmission electron microscopy reveals that cracks along both the (001) and (100) cleavage planes penetrate into the substrate. The diffuse scattered intensity observed in reciprocal space maps (RSMs) is directly correlated with the tilt that is introduced due to the change in the deformation conditions near the cracks. While asymmetric RSMs show that the layers are fully strained, the diffuse scattering distribution in reciprocal space can be interpreted to show that the cracking relaxes and locally tilts the lattice ∼350 nm from the crack edges, which is consistent with the larger radius of curvature associated with the films with higher crack densities. For example, a 200 nm (Al 0.13 Ga 0.87 ) 2 O 3 thick film has an average inter-crack spacing of 3.3 µm, so most of the epitaxial layer is fully strained except near the cracks where it deforms elastically and is consistent with the gallium oxide Poisson ratio. A reciprocal space model was developed, which imports the strain and tilt distributions (based on finite element modeling) to match the features observed in the experimental maps. We also note that previous studies involving (Al x Ga 1−x ) 2 O 3 films may show evidence of cracking as observed in their symmetric and asymmetric RSMs.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Properties of Nb x Ti (1–x) N thin films deposited on 300 mm silicon wafers for upscaling superconducting digital circuits

Scaling superconducting digital circuits requires fundamental changes in the current material set and fabrication process. The transition to 300 mm wafers and the implementation of advanced lithography are instrumental in facilitating mature CMOS processes, ensuring uniformity, and optimizing the yield. Here, this study explores the properties of Nb x Ti (1–x) N films fabricated by magnetron DC sputtering on 300 mm Si wafers. As a promising alternative to traditional Nb in device manufacturing, Nb x Ti (1–x) N offers numerous advantages, including enhanced stability and scalability to smaller dimensions, in both processing and design. As a ternary material, Nb x Ti (1–x) N allows engineering material parameters by changing deposition conditions. The engineered properties can be used to modulate device parameters through the stack and mitigate failure modes. We report characterization of Nb x Ti (1–x) N films at less than 2% thickness variability, 2.4% T c variability and 3% composition variability. Film resistivity (140–375 Ωcm) shows a strong correlation with the film oxygen content, while the critical temperature T c (4.6 K–14.1 K) is strongly affected by film stoichiometry and its microstructure has only a moderate effect on modifying T c . Our results offer insights about the interplay between film stoichiometry, film microstructure and critical temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Negligible magnetic losses at low temperatures in liquid phase epitaxy grown Y 3 Fe 5 O 12 films

Yttrium iron garnet (Y 3 Fe 5 O 12 ; YIG) has a unique combination of low magnetic damping, high spin-wave conductivity, and insulating properties that make it a highly attractive material for a variety of applications in the fields of magnetics and spintronics. While the room-temperature magnetization dynamics of YIG have been extensively studied, there are limited reports correlating the low-temperature magnetization dynamics to the material structure or growth method. Here, in this study, we investigate liquid phase epitaxy grown YIG films and their magnetization dynamics at temperatures down to 10 K. We show there is a negligible increase in the ferromagnetic resonance linewidth down to 10 K, which is unique when compared with YIG films grown by other deposition methods. From the broadband ferromagnetic resonance measurements, polarized neutron reflectivity, and scanning transmission electron microscopy, we conclude that these liquid phase epitaxy grown films have negligible rare-earth impurities present, specifically the suppression of Gd diffusion from the Gd 3 Ga 5 O 12 (GGG) substrate into the Y 3 Fe 5 O 12 film, and therefore negligible magnetic losses attributed to the slow-relaxation mechanism. Overall, liquid phase epitaxy YIG films have a YIG/GGG interface that is five times sharper and have ten times lower ferromagnetic resonance linewidths below 50 K than comparable YIG films by other deposition methods. Thus, liquid phase epitaxy grown YIG films are ideal for low-temperature experiments/applications that require low magnetic losses, such as quantum transduction and manipulation via magnon coupling.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Effect of capping layers on the near-surface region of SrVO 3 films

Surfaces of correlated-electron oxides are of significant interest both from fundamental and applied perspectives. Many such oxides feature a near-surface region (NSR) which differs from the bulk’s properties. The NSR can significantly affect the interpretation of the material’s electronic structure, especially for those in thin film form, and have detrimental effects for applications such as field effect devices and catalysts. In this work we study the changes in the composition and electronic structure of the NSR of SrVO 3 (SVO) thin films. We employ x-ray photoelectron spectroscopy (XPS) and compare TiOx-capped SVO films to identical uncapped films that were exposed to ambient conditions. The significant over-oxidation of the SVO surface in the bare film, illustrated by a primary V 5+ component, is prevented by the TiO x layer in the capped film. Furthermore, the capped film further exhibits a decrease in Sr surface phases. These results demonstrate the importance and potential of such capping layers in preserving the bulk properties of correlated oxides in their NSR, enabling more accurate probes for their underlying physics and offering a route for their integration into devices.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Improving the laser performance of ion beam sputtered dielectric thin films through the suppression of nanoscale defects by employing a xenon sputtering gas

Laser damage-prone precursors in high index materials such as hafnia are believed to be the primary limiter in the performance of dielectric multilayer films to advance ultra-high power and energy laser applications. Removing or suppressing these precursors is the key to fabricating laser damage resistant thin films for the enabling technologies. Early work has revealed that nanobubbles formed by entrapped argon (Ar) working gas in ion beam sputtering (IBS) produced hafnia films are primarily responsible for the onset of laser damage upon exposure to UV, ns-laser pulses. In this study, we demonstrate that the UV ns-laser damage onset of IBS produced hafnia films can be improved to 3.1 +/- 0.2 J/cm 2 by substituting the conventional Ar working gas with xenon (Xe), a nearly 1 J/cm 2 increase from that of the Ar produced hafnia films. In addition to the suppression of the overall point-defect density of the hafnia films, the reduction of the Xe entrapment eliminates the nanobubbles and the generation of plasmas that initiates the laser damage. The defect suppression and its correlation to the increase in laser damage threshold is revealed by the combined analysis of Rutherford backscattering spectroscopy, electron paramagnetic resonance spectroscopy, transmission electron microscopy, and laser damage testing. Monte Carlo simulations suggest a much smaller entrapment of Xe gas by comparison to Ar, which is attributed to the significant difference in the energy of the reflected neutrals (3X) which are likely to be implanted. These results provide an effective process route with a fundamental understanding for producing high laser damage resistant dielectric films for high power and high energy laser applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Simple Heat Transfer Model for Film Cooling Applications

This report describes the development of a simple engineering model for film cooling. This model is used to derive a relationship between local wall temperature variations and key cooling performance parameters like local heat transfer coefficients and film effectiveness. This relation and method new and different from previously published models. The scope of this report includes the derivation of regression model equations for a flat plate with and without film cooling. The model equation for a flat plate without film cooling can be used to estimate local heat transfer coefficients using surface temperatures measured from infrared thermography. The model equation for the flat plate with film cooling can be used to estimate film cooling effectiveness, $η_f$, and heat transfer augmentation from the film cooling jet(s).

42 ENGINEERING↗
DOE OSTI2023

Optimization of La 2–x Sr x CuO 4 Single Crystal Film Growth via Molecular Beam Epitaxy

Atomic layer-by-layer molecular beam epitaxy (ALL-MBE) combined with ozone is one of the best methods to fabricate single-crystal thin films of complex oxides. Cuprate such as La 2-x Sr x CuO 4 (LSCO) is a representative complex-oxide high-temperature superconductor (HTS) material. Our group utilizes this method to produce high-quality single-crystal HTS films with atomically smooth surfaces and interfaces. In addition, ALL-MBE enables us to engineer multilayer heterostructures with atomic precision. This allows the fabrication of tunnel junctions, various nanostructures, and other HTS devices of interest for superconducting electronics. We have synthesized over three thousand LSCO thin films in the past two decades. These films’ structural and electronic properties have been studied and characterized by various methods. Here, we distill the extensive experience we accumulated into a step-by-step protocol to fabricate atomically perfect LSCO films. The recipe includes substrate preparation, ozone generation and distillation, source calibration, the in situ monitoring of the film synthesis, post-growth annealing, and ex situ characterization. It discloses a reproducible way to fabricate single-crystal LSCO films for basic research and HTS electronic applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Water-assisted mechanical testing of polymeric thin-films

Thin films with a nanometer-scale thickness are of great interest to both scientific and industrial communities due to their numerous applications and unique behaviors different from the bulk. However, the understanding of thin-film mechanics is still greatly hampered due to their intrinsic fragility and the lack of commercially available experimental instruments. In this review, we first discuss the progression of thin-film mechanical testing methods based on the supporting substrate: film-on-solid substrate method, film-on-water tensile tests, and water-assisted free-standing tensile tests. By comparing past studies on a model polymer, polystyrene, the effect of different substrates and confinement effect on the thin-film mechanics is evaluated. These techniques have generated fruitful scientific knowledge in the field of organic semiconductors for the understanding of structure–mechanical property relationships. Here, we end this review by providing our perspective for their bright prospects in much broader applications and materials of interest.

42 ENGINEERING↗
DOE OSTI2020

Effects of deposition and annealing conditions on the crystallisation of NiTi thin films by e-beam evaporation

This Letter demonstrates the effects of deposition and annealing conditions on the crystallisation of nickel–titanium (NiTi) thin films deposited by the e-beam evaporation. NiTi thin films of 0.5 μm thick are fabricated on P-type (110) silicon substrates using the e-beam evaporation technique. We find that with the characterisations using the X-ray diffraction method, the results indicate that low e-beam deposition rate and argon employed annealing procedures can be beneficial to the formation of NiTi crystalline structure. Additionally, the as-deposited NiTi thin films without annealing procedures are amorphous, when deposited on the substrates at low temperatures. The differential scanning calorimetry studies show NiTi thin films formed by the e-beam evaporation are Ni-rich. Furthermore, SEM images illustrate that high-precision patterned NiTi thin film microstructures can be fabricated by combining with the e-beam evaporation and lift-off resist methods, without any wet or dry etching procedures. The proposed fabrication process for NiTi thin film microstructures shows great potential for application in shape memory alloy medical devices, as well as the micro-robotics.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Multimodal Characterization of Crystal Structure and Formation in Rubrene Thin Films Reveals Erasure of Orientational Discontinuities

Abstract Multimodal multiscale characterization provide opportunities to study organic semiconducting thin films with multiple length scales, across multiple platforms, to elucidate crystallization mechanisms of the various microstructures that impact functionality. With polarized scanning transmission X‐ray and 4D‐scanning transmission electron microscopy, hybrid crystalline structures in rubrene thin films in which large crystalline domains surround a common nucleus and transition to a spherulite morphology at larger radii is observed. These high‐resolution techniques reveal how azimuthal orientational discontinuities at smaller radii are erased as spherulite morphology takes hold. In situ crystallization in the films with optical microscopy is also captured, discovering the importance of considering the initial temperature increase of a film during thermal annealing over the crystallization timescale. This kinetic information of the radial crystallization rate and of corresponding film heating kinetics is used to estimate the temperature at which the larger crystalline regions transition into a spherulite. By combining the results obtained from the different characterization modes, it is learned that thermal conditions can sensitively affect the crystallization of rubrene and other organic thin films. The observations suggest opportunities for more complex temperature‐dependent processing to maximize hybrid structures’ functionality in organic thin films and demonstrate that multimodal studies deepen the understanding of structure‐function dynamics.

Tan, Jenna A.↗
DOE OSTI2024

Self‐Standing Chiral Covalent Organic Framework Thin Films with Full‐Color Tunable Guest‐Induced Circularly Polarized Luminescence

Abstract Exploring self‐standing chiral covalent organic framework (COF) thin films with controllable circularly polarized luminescence (CPL) is of paramount significance but remains a challenging task. Herein, we demonstrate the first example of self‐standing chiral COF films employing a polymerization‐dispersion‐filtration strategy. Pristine, low‐quality chiral COF films were produced by interfacial polymerization and then re‐dispersed into COF colloidal solutions. Via vacuum assisted assembly, these COF colloids were densely stacked and assembled into self‐standing, pure chiral COF films ( L‐ / D‐ CCOF‐F) that were transparent, smooth, crack‐free and highly crystalline. These films were tunable in thicknesses, areas, and roughness, along with strong diffuse reflectance circular dichroism (DRCD) and cyan CPL signals, showing an intrinsic luminescence asymmetric factor ( g lum ) of ~4.3×10 −3 . Furthermore, these COF films served as host adsorbents to load various achiral organic dye guests through adsorption. The effective chiral transfer and energy transfer between CCOF‐F and achiral fluorescent dyes endowed the dyes with strong chirality and tunable DRCD, resulting in intense, full‐color‐tunable solid‐state CPL. Notably, the ordered arrangement of dye guest molecules within the preferentially oriented chiral pores of CCOF‐F contributed to an amplified | g lum | factor of up to 7.2×10 −2 , which is state‐of‐the‐art for COF‐based CPL materials. This work provides new insights into the design and fabrication of self‐standing chiral COF films, demonstrating their great potential for chiroptical applications.

Tang, Xihao↗