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At least 1,441 records · Page 80

Elastic Scattering of Mo-Mo, Mo-S and S-S Atomic Pairs in the Relative Kinetic Energy Range of 2–200 eV

The interatomic binary potentials of Mo-Mo, Mo-S and S-S, approved by Molecular Dynamics, were used to calculate elastic phase shifts and cross sections of the atomic pairs in the relative kinetic energy range of 2–200 eV. It is expected the obtained differential and integral cross sections to be of help to describe sputtering of MoS{sub 2} nanometer layers in design of perspective devices of nanoelectronics and photonics.

74 ATOMIC AND MOLECULAR PHYSICS↗

The Structure, Dielectric, and Optical Properties of c-Oriented SBN-50 Films Grown on Pt/Al{sub 2}O{sub 3} Substrate

Studies of the structure, dielectric and optical properties of thin films of a relaxor ferroelectric Ba{sub 0.5}Sr{sub 0.5}Nb{sub 2}O{sub 6} grown on Pt(111)/Al{sub 2}O{sub 3} (c-cut) substrate by high-frequency RF-sputtering in oxygen atmosphere, were performed. X-ray diffraction studies showed that Ba{sub 0.5}Sr{sub 0.5}Nb{sub 2}O{sub 6} films are c-oriented. The unit cell parameters in the tetragonal approximation were c = 3.949(1) Å and a = 12.38(1) Å. It was established that the ferroelectric–paraelectric phase-transition temperature rises and optical anisotropy increases in the object in comparison with the bulk material. Reasons for the elucidated regularities are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Synthesis of Porous Tungsten from Tungsten–Cadmium Film Coatings

Solid solutions (alloys) with a Cd concentration of 50.3–76.3 at % were synthesized for the first time in the form of coatings by ion–plasma sputtering and codeposition of ultrafine W and Cd particles. When coatings were formed by tungsten and cadmium nanolayers, the components dissolved mutually to produce solid solutions of one metal in the other. A solid solution of cadmium in tungsten was synthesized at Cd concentrations up to 60.9 at %. At a cadmium concentration of 68.6 at % in the coating, the crystalline structure of cadmium with an admixture of amorphous tungsten was produced. At 800°C, tungsten evaporated from tungsten–cadmium coatings to form porous tungsten. The results of examination of materials fabricated on the basis of porous tungsten are planned to be used in practice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Amorphous Films of Ternary Zinc and Tin Oxides for Transparent Electronics

Amorphous films of two varieties of zinc stannate (ZnSnO{sub 3} and Zn{sub 2}SnO{sub 4}) have been considered that were fabricated by radio-frequency sputtering of ceramic compound targets containing ZnO and SnO{sub 2} in 1: 1 and 2: 1 ratios. The elemental and phase compositions of the films and their optical and electrical parameters were determined. The transparency of the films in the visible spectral range is on average 87%. Zinc stannate amorphous films have a high electrical conductivity in contrast to amorphous ZnO and SnO{sub 2}. This phenomenon, which makes it possible to use zinc stannate amorphous films in transparent and flexible electronics, is explained.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Exchange Spring in a Heterostructure with Pd{sub 0.96}Fe{sub 0.04} Low-Temperature Ferromagnet

The exchange bias of the magnetic hysteresis loop and the exchange-spring effect have been observed in thin-film heterostructures comprising layers of Pd{sub 0.96}Fe{sub 0.04} low-temperature ferromagnet, metallic cobalt, and cobalt monoxide (CoO) grown on single-crystalline sapphire by methods of magnetron sputtering and molecular beam epitaxy in an ultrahigh-vacuum system. It is established that the exchange anisotropy of Pd{sub 0.96}Fe{sub 0.04} layer in Pd{sub 0.96}Fe{sub 0.04}/CoO/Co/Al{sub 2}O{sub 3} thin-film heterostructure is absent and the exchange-spring effect in this system is not manifested. In the case of a Pd{sub 0.96}Fe{sub 0.04}/Co/CoO/Al{sub 2}O{sub 3} structure, it is shown that, according to the results of magnetometric measurements, the inversion of the order of antiferromagnetic and ferromagnetic layers leads to pinning of the magnetic moment of Pd{sub 0.96}Fe{sub 0.04} layer at the interface with cobalt and to realization of the exchange-spring effect. Additional evidence in favor of this interpretation was obtained using the micromagnetic modeling of magnetic hysteresis loops.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The Influence of High-Frequency Discharge on Substrate Temperature during Film Deposition

The process of discharge-induced substrate heating at the initial stage of film synthesis by method of high-frequency cathode sputter deposition has been studied. The temperature to which the substrate was heated after the discharge switch-on was determined using the optical interferometry technique. In a working regime of barium strontium titanate film deposition onto a magnesium oxide substrate, the substrate temperature exceeded 1000°C.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Structural Changes in Si–CuSi Films upon Intercalation of Lithium Ions

We studied the possibility of using composite films representing amorphous silicon reinforced with crystalline inclusions of copper silicide as an anode material for lithium-ion batteries with liquid electrolyte. The films were made by layer-by-layer magnetron sputtering of amorphous silicon and copper, followed by low-temperature (100–200°C) annealing of the structure. The tests of the anodes revealed the effect of prolonged intense growth of their reversible capacity. To describe the effect, a phenomenological model based on the multidirectional migration of silicon and copper atoms in an inhomogeneous field of elastic mechanical stresses arising during electrode cycling is proposed.

30 DIRECT ENERGY CONVERSION↗

Deposition and dielectric characterization of highly oriented V 2 O 5 thin films

The possibility of ferroelectricity in orthorhombic V 2 O 5 thin flms was investigated. Films were deposited via either a chemical solution deposition (CSD) route or by RF magnetron sputtering. Highly (001) oriented V 2 O 5 flms were achieved with both deposition routes at temperatures as low as 300°C. No evidence for ferroelectricity was observed, even in flms which had been doped to provide local nuclei for polarization reversal. Loss originated from mid-gap trap states stemming from oxygen vacancies that were observed with photoluminescence, supplemented by piezoresponse force microscopy measurements. Furthermore, these trap states may have helped mimic ferroelectricity in previous reports on V 2 O 5 .

36 MATERIALS SCIENCE↗

Plasma Interactions with Mixed Materials and Impurity Transport

The project brings together three discipline areas at LLNL to develop advanced capability to predict the impact of plasma/material interactions (PMI) on metallic surfaces in magnetic fusion energy (MFE) devices. These areas are (1) modeling transport of wall impurity ions through the edge plasma to the core plasma, (2) construction of a laser blow-off (LBO) system for injecting precise amounts of metallic atoms into a tokamak plasma, and (3) material science analysis of fundamental processes that modify metallic surfaces during plasma bombardment. The focus is on tungsten (W), which is being used for the ITER divertor and in designs of future MFE devices. In area (1), we have worked with the University of California, San Diego (UCSD) on applications of the UEDGE/DUSTT coupled codes to predict the influx of impurity ions from W dust through the edge plasma, including periodic edge-plasma oscillations, and revived a parallel version of UEDGE to speed up these simulations. In addition, the impurity transport model in the 2D UEDGE code has been implemented into the 3D BOUT++ turbulence/transport code to allow fundamental analysis of the impact of strong plasma turbulence on the impurity transport. In area (2), construction and testing of the LBO injection system has been completed. The original plan to install the LBO on the National Spherical Torus Experiment Upgrade (NSTX-U) at Princeton and its use to validate the impurity transport simulations is delayed owing to NSTX-U being offline for substantial magnetic coil repair period. In area (3), an analytic model has been developed to explain the growth of W tendrils (or fuzz) observed for helium-containing plasmas. Molecular dynamics calculations of W sputtering by W and deuterium (D) ions shows that a spatial blending of interatomic potentials is needed to describe the near-surface and deeper regions of the material.

36 MATERIALS SCIENCE↗

Bringing high-efficiency silicon solar cells with heterojunction contacts to market with a new, versatile deposition technique

Silicon heterojunction (SHJ) and tunnel-oxide-passivated-contacts (TOPCon) solar cells are the future for silicon technology after passivated-emitter-and-rear-contact (PERC) cells. However, the tool costs (CapEx) for SHJ (TOPCon) make the cell lines more than 2 (1.5) times of the cost of the PERC, which hinders the wide adoption these new technologies despite higher efficiencies. A common challenge for both cell types is that the passivation layers are sensitive to sputter damage. Furthermore, for TOPCon cells, it is desirable to have an inline (instead of batch) process for tunnel oxide and polysilicon to maximize the throughput and thus reduce the operation cost.

14 SOLAR ENERGY↗

Processes at lithium-hydride/deuteride surfaces upon low energy impact of H/D

Sputtering, reflection, and retention processes at amorphous and crystalline lithium hydride surfaces due to impact of low energy (1–100 eV) hydrogen and deuterium atoms over the range of 0 o −85 o angle of incidence at 300 K surface temperature were investigated by atomistic computational methods. Classical molecular dynamics simulations were performed with improved reactive bond-order force field (ReaxFF) potentials that include long-range polarization effects. In addition to probabilities of surface processes, the energy and angular spectra of ejected particles were obtained. Comparison of these results with those previously obtained on pristine lithium surfaces indicates the importance of saturation of the Li surface and near-surface region with hydrogen. We show that such saturation, which is typical in both laboratory and fusion device experiments with lithium coating of the plasma-facing surfaces, significantly changes the surface processes with hydrogen irradiation in the understudied low-energy region of impact energies.

74 ATOMIC AND MOLECULAR PHYSICS↗

Antiferromagnetic Oxide Thin Films for Spintronic Applications

Antiferromagnetic oxides have recently gained much attention because of the possibility to manipulate electrically and optically the Néel vectors in these materials. Their ultrafast spin dynamics, long spin diffusion length and immunity to large magnetic fields make them attractive candidates for spintronic applications. Additionally, there have been many studies on spin wave and magnon transport in single crystals of these oxides. However, the successful applications of the antiferromagnetic oxides will require similar spin transport properties in thin films. In this work, we systematically show the sputtering deposition method for two uniaxial antiferromagnetic oxides, namely Cr2O3 and α-Fe2O3, on A-plane sapphire substrates, and identify the optimized deposition conditions for epitaxial films with low surface roughness. We also confirm the antiferromagnetic properties of the thin films. The deposition method developed in this article will be important for studying the magnon transport in these epitaxial antiferromagnetic thin films.

36 MATERIALS SCIENCE↗

Influence of Oxygen Flow and Stoichiometry on Optical Properties and Damage Resistance of Hafnium Oxide Thin Films

Hafnium oxide (HfO 2 ) is predominantly used as a high-index material in multi-layer dielectric coatings for high-peak- and high-average-power lasers, but laser damage often initiates within the HfO 2 layers despite their wide bandgap. Oxygen deficiency during deposition can introduce vacancy-related sub-bandgap states and absorptive defects, lowering damage resistance. This study investigates how oxygen flow during HfO 2 deposition with ion beam sputtering (IBS) affects its stoichiometry, defect formation, and nanosecond laser-induced damage threshold (LIDT) and whether single-layer trends predict multilayer performance. Single layers were deposited at varying oxygen flows, characterized for optical and structural properties, and tested for the LIDT at 1064 nm and 355 nm. Increasing oxygen flow drove the layer toward near-stoichiometric HfO 2 , reduced the refractive index, and altered the density of surface pinhole-like features. The single-layer LIDT at 355 nm increased with oxygen, whereas the 1064 nm LIDT was comparatively less sensitive to oxygen flow, consistent with the wavelength-dependent roles of absorptive precursors and microstructural defects. In contrast, a HfO 2 -based high-reflector (HR) showed a higher LIDT at lower oxygen flow, indicating that the family of damage precursors changes between single layers and multilayers; in stacks, structural properties such as stress, gas entrapment and thermal dissipation may outweigh the isolated absorptive defects found in single layers. These results demonstrate that the optimal oxygen flow condition depends on both LIDT wavelength and film architecture. We identified, for single layers, a 15–35 sccm window for maximizing the 1064 nm LIDT and a high-flow optimum (45 sccm) for the 355 nm LIDT and, for 355 nm HR stacks, a distinct lower-flow regime (~10 sccm).

Optics and optical instruments↗

High-Temperature Ferroelectric Behavior of Al 0.7 Sc 0.3 N

Currently, there is a lack of nonvolatile memory (NVM) technology that can operate continuously at temperatures > 200 °C. While ferroelectric NVM has previously demonstrated long polarization retention and >10 13 read/write cycles at room temperature, the largest hurdle comes at higher temperatures for conventional perovskite ferroelectrics. Here, we demonstrate how AlScN can enable high-temperature (>200 °C) nonvolatile memory. The c-axis textured thin films were prepared via reactive radiofrequency magnetron sputtering onto a highly textured Pt (111) surface. Photolithographically defined Pt top electrodes completed the capacitor stack, which was tested in a high temperature vacuum probe station up to 400 °C. Polarization–electric field hysteresis loops between 23 and 400 °C reveal minimal changes in the remanent polarization values, while the coercive field decreased from 4.3 MV/cm to 2.6 MV/cm. Even at 400 °C, the polarization retention exhibited negligible loss for up to 1000 s, demonstrating promise for potential nonvolatile memory capable of high–temperature operation. Fatigue behavior also showed a moderate dependence on operating temperature, but the mechanisms of degradation require additional study.

36 MATERIALS SCIENCE↗

Combinatorial Cu-Ni Alloy Thin-Film Catalysts for Layer Number Control in Chemical Vapor-Deposited Graphene

We synthesized a combinatorial library of CuxNi1−x alloy thin films via co-sputtering from Cu and Ni targets to catalyze graphene chemical vapor deposition. The alloy morphology, composition, and microstructure were characterized via scanning electron microscopy (SEM), energy dispersive x-ray spectroscopy (EDS), and X-ray diffraction (XRD), respectively. Subsequently, the CuxNi1−x alloy thin films were used to grow graphene in a CH4-Ar-H2 ambient at atmospheric pressure. The underlying rationale is to adjust the CuxNi1−x composition to control the graphene. Energy dispersive x-ray spectroscopy (EDS) analysis revealed that a continuous gradient of CuxNi1−x (25 at. % < x < 83 at.%) was initially achieved across the 100 mm diameter substrate (~0.9%/mm composition gradient). The XRD spectra confirmed a solid solution was realized and the face-centered cubic lattice parameter varied from ~3.52 to 3.58 A˙, consistent with the measured composition gradient, assuming Vegard’s law. Optical microscopy and Raman analysis of the graphene layers suggest single layer growth occurs with x > 69 at.%, bilayer growth dominates from 48 at.% < x < 69 at.%, and multilayer (≥3) growth occurs for x < 48 at.%, where x is the Cu concentration. Finally, a large area of bi-layer graphene was grown via a CuxNi1−x catalyst with optimized catalyst composition and growth temperature.

2D materials↗

Electrical Behavior of Combinatorial Thin-Film Zr x Ta 1−x O y

Combinatorial magnetron sputtering and electrical characterization were used to systematically study the impact of compositional changes in the resistive switching of transition metal oxides, specifically the Zr x Ta 1−x O y system. Current-voltage behavior across a range of temperatures provided insights into the mechanisms that contribute to differences in the electrical conductivity of the pristine Ta 2 O 5 and ZrO 2 , and mixed Zr x Ta 1−x O y devices. The underlying conductive mechanism was found to be a mixture of charge trapping and ionic motion, where charge trapping/emission dictated the short-term cycling behavior while ion motion contributed to changes in the conduction with increased cycling number. ToF-SIMS was used to identify the origin of the “wake-up” behavior of the devices, revealing an ionic motion contribution. This understanding of how cation concentration affects conduction in mixed valence systems helps provide a foundation for a new approach toward manipulating resistive switching in these active layer materials.

36 MATERIALS SCIENCE↗

ION-INDUCED PROCESSING OF COSMIC SILICATES: A POSSIBLE FORMATION PATHWAY TO GEMS

Ion-induced processing of dust grains in the interstellar medium and in protoplanetary and planetary disks plays an important role in the entire dust cycle. We have studied the ion-induced processing of amorphous MgFeSiO{sub 4} and Mg{sub 2}SiO{sub 4} grains by 10 and 20 keV protons and 90 keV Ar{sup +} ions. The Ar{sup +} ions were used to compare the significance of the light protons with that of heavier, but chemically inert projectiles. The bombardment was performed in a two-beam irradiation chamber for in situ ion-implantation at temperatures of 15 and 300 K and Rutherford Backscattering Spectroscopy to monitor the alteration of the silicate composition under ion irradiation. A depletion of oxygen from the silicate structure by selective sputtering of oxygen from the surface of the grains was observed in both samples. The silicate particles kept their amorphous structure, but the loss of oxygen caused the reduction of ferrous (Fe{sup 2+}) ions and the formation of iron inclusions in the MgFeSiO{sub 4} grains. A few Si inclusions were produced in the iron-free magnesium silicate sample pointing to a much less efficient reduction of Si{sup 4+} and formation of metallic Si inclusions. Consequently, ion-induced processing of magnesium-iron silicates can produce grains that are very similar to the glassy grains with embedded metals and sulfides frequently observed in interplanetary dust particles and meteorites. The metallic iron inclusions are strong absorbers in the NIR range and therefore a ubiquitous requirement to increase the temperature of silicate dust grains in IR-dominated astrophysical environments such as circumstellar shells or protoplanetary disks.

79 ASTRONOMY AND ASTROPHYSICS↗

DETECTION OF A HYDROGEN CORONA IN HST Ly α IMAGES OF EUROPA IN TRANSIT OF JUPITER

We report far-ultraviolet observations of Europa in transit of Jupiter obtained with the Space Telescope Imaging Spectrograph of the Hubble Space Telescope on six occasions between 2014 December and 2015 March. Absorption of Jupiter’s bright hydrogen Ly α dayglow is detected in a region several moon radii above the limb in all observations. The observed extended absorption provides the first detection of an atomic hydrogen corona around Europa. Molecular constituents in Europa’s global sputtered atmosphere are shown to be optically thin to Ly α . The observations are consistent with a radially escaping H corona with maximum densities at the surface in the range of (1.5–2.2) × 10{sup 3} cm{sup −3}, confirming the abundances predicted by Monte Carlo simulations. In addition, we search for anomalies around the limb of Europa from absorption by localized high H{sub 2}O abundances from active plumes. No significant local absorption features are detected. We find that an H{sub 2}O plume with line-of-sight column density in the order of 10{sup 16} cm{sup −2}, as inferred by Roth et al. would not be detectable based on the statistical fluctuations of the transit measurements, and hence is not excluded or further constrained. The presence of plumes with line-of-sight column densities of >2 × 10{sup 17} cm{sup −2} can be excluded at a 3- σ level during five of our six observations.

79 ASTRONOMY AND ASTROPHYSICS↗