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DOE OSTI2013

Analysis of defects in GaAsN grown by chemical beam epitaxy on high index GaAs substrates

The lattice defects in GaAsN grown by chemical beam epitaxy on GaAs 311B and GaAs 10A toward [110] were characterized and discussed by using deep level transient spectroscopy (DLTS) and on the basis of temperature dependence of the junction capacitances (C{sub J}). In one hand, GaAsN films grown on GaAs 311B and GaAs 10A showed n-type and p-type conductivities, respectively although the similar and simultaneous growth conditions. This result is indeed in contrast to the common known effect of N concentration on the type of conductivity, since the surface 311B showed a significant improvement in the incorporation of N. Furthermore, the temperature dependence of C{sub J} has shown that GaAs 311B limits the formation of N-H defects. In the other hand, the energy states in the forbidden gap of GaAsN were obtained. Six electron traps, E1 to E6, were observed in the DLTS spectrum of GaAsN grown on GaAs 311B, with apparent activation energies of 0.02, 0.14, 0.16, 0.33, 0.48, and 0.74 eV below the bottom edge of the conduction band, respectively. In addition, four hole traps, H1 to H4, were observed in the DLTS spectrum of GaAsN grown on GaAs 10A, with energy depths of 0.13, 0.20, 0.39, and 0.52 eV above the valence band maximum of the alloy, respectively. Hence, the surface morphology of the GaAs substrate was found to play a key factor role in clarifying the electrical properties of GaAsN grown by CBE.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Effect of Ag addition to L1{sub 0} FePt and L1{sub 0} FePd films grown by molecular beam epitaxy

L1{sub 0} ordered FePt-Ag (5 nm) and FePd-Ag (5 nm) films were grown on MgO (001) substrate at temperatures of 250–400 °C by using molecular beam epitaxy method, and their crystal and surface structures, perpendicular magnetic anisotropies and Curie temperatures were investigated. In the case of FePt-Ag, Ag addition with the amount of 10–20 at. % was effective to promote L1{sub 0} ordering and granular growth, resulting in the increase of the perpendicular magnetic anisotropy and coercivity of the FePt-Ag films. On the other hand, in the case of FePd-Ag, Ag addition changed the surface morphology from island to continuous film associated with the reductions of its coercivity and perpendicular anisotropy. The variations of lattice constants and Curie temperature with Ag addition were significantly different between FePt-Ag and FePd-Ag. For FePd-Ag, the c and a axes lattice spacings and Curie temperature gradually changed with increasing Ag content, while they unchanged for FePt-Ag. These results suggest the possibility of the formation of FePdAg alloy in FePd-Ag, while Ag segregation in FePt-Ag.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

Metalorganic chemical vapor deposition growth of high-mobility AlGaN/AlN/GaN heterostructures on GaN templates and native GaN substrates

Severe surface decomposition of semi-insulating (SI) GaN templates occurred in high-temperature H{sub 2} atmosphere prior to epitaxial growth in a metalorganic chemical vapor deposition system. A two-step heating process with a surface stabilization technique was developed to preserve the GaN template surface. Utilizing the optimized heating process, a high two-dimensional electron gas mobility ∼2000 cm{sup 2}/V·s was obtained in a thin AlGaN/AlN/GaN heterostructure with an only 100-nm-thick GaN spacer layer homoepitaxially grown on the GaN template. This technique was also demonstrated viable for native GaN substrates to stabilize the surface facilitating two-dimensional growth of GaN layers. Very high residual silicon and oxygen concentrations were found up to ∼1 × 10{sup 20 }cm{sup −3} at the interface between the GaN epilayer and the native GaN substrate. Capacitance-voltage measurements confirmed that the residual carbon doping controlled by growth conditions of the GaN epilayer can be used to successfully compensate the donor-like impurities. State-of-the-art structural properties of a high-mobility AlGaN/AlN/GaN heterostructure was then realized on a 1 × 1 cm{sup 2} SI native GaN substrate; the full width at half maximum of the X-ray rocking curves of the GaN (002) and (102) peaks are only 21 and 14 arc sec, respectively. The surface morphology of the heterostructure shows uniform parallel bilayer steps, and no morphological defects were noticeable over the entire epi-wafer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

Electrodeposition of Zn based nanostructure thin films for photovoltaic applications

We present here a systematic study on the synthesis thin films of various ZnO, CdO, Zn{sub x}Cd{sub 1-x} (O) and ZnTe nanostructures by electrodeposition technique with ZnCl{sub 2,} CdCl{sub 2} and ZnSO{sub 4} solution as starting reactant. Several reaction parameters were examined to develop an optimal procedure for controlling the size, shape, and surface morphology of the nanostructure. The results showed that the morphology of the products can be carefully controlled through adjusting the concentration of the electrolyte. The products present well shaped Nanorods arrays at specific concentration and temperature. UV-VIS spectroscopy and X-ray diffraction results show that the product presents good crystallinity. A possible formation process has been proposed.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2015

Investigation on single walled carbon nanotube thin films deposited by Langmuir Blodgett method

Langmuir Blodgett is a technique to deposit a homogeneous film with a fine control over thickness and molecular organization. Thin films of functionalized SWCNTs have been prepared by Langmuir Blodgett method. The good surface spreading properties of SWCNTs at air/water interface are indicated by surface pressure-area isotherm and the monolayer formed on water surface is transferred onto the quartz substrate by vertical dipping. A multilayer film is thus obtained in a layer by layer manner. The film is characterized by Atomic Force Microscope (AFM), UV-Vis-NIR spectroscopy and FTIR.AFM shows the surface morphology of the deposited film. UV-Vis-NIR spectroscopy shows the characteristic peaks of semiconducting SWCNTs. The uniformity of LB film can be used further in understanding the optical and electrical behavior of these materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Effects of defect density on ultrathin graphene-based metal diffusion barriers

The authors investigated the effects of defect density on the performance of monolayer graphene as a barrier to metal diffusion. The defects were introduced to the graphene by controlled ultraviolet-ozone irradiation. The barrier performance of pristine graphene was found to be superior to that of defective graphene at temperatures up to 700 °C. Changes in surface morphology were more prevalent in the defective graphene-based films than in the pristine graphene-based film; the thermal stability of graphene films depends on their defect density. Defect density was found to be a determining factor in the barrier performance of graphene.

42 ENGINEERING↗

DOE OSTI2019

Formation of Ordered Silicon Structures on a Graphite Surface

The possibility of formation of ordered silicon structures, including silicene, on the graphite substrate surface has been studied. The effect of various conditions of depositing silicon atoms on a finite structure has also been studied. The data on the surface morphology has been obtained by atomic force microscopy, and the electronic structure has been studied by Auger electron spectroscopy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2016

Electroless Plated Nanodiamond Coating for Stainless Steel Passivation

Tritium gas sample bottles and manifold components require passivation surface treatments to minimize the interaction of the hydrogen isotopes with surface contamination on the stainless steel containment materials. This document summarizes the effort to evaluate electroless plated nanodiamond coatings as a passivation layer for stainless steel. In this work, we developed an electroless nanodiamond (ND)-copper (Cu) coating process to deposit ND on stainless steel parts with the diamond loadings of 0%, 25% and 50% v/v in a Cu matrix. The coated Conflat Flanged Vessel Assemblies (CFVAs) were evaluated on surface morphology, composition, ND distribution, residual hydrogen release, and surface reactivity with deuterium. For as-received Cu and ND-Cu coated CFVAs, hydrogen off-gassing is rapid, and the off-gas rates of H 2 was one to two orders of magnitude higher than that for both untreated and electropolished stainless steel CFVAs, and hydrogen and deuterium reacted to form HD as well. These results indicated that residual H 2 was entrapped in the Cu and ND-Cu coated CFVAs during the coating process, and moisture was adsorbed on the surface, and ND and/or Cu might facilitate catalytic isotope exchange reaction for HD formation. However, hydrocarbons (i.e., CH 3 ) did not form, and did not appear to be an issue for the Cu and ND-Cu coated CFVAs. After vacuum heating, residual H 2 and adsorbed H 2 O in the Cu and ND-Cu coated CFVAs were dramatically reduced. The H 2 off-gassing rate after the vacuum treatment of Cu and 50% ND-Cu coated CFVAs was on the level of 10 -14 l mbar/s cm 2 , while H 2 O off-gas rate was on the level of 10 -15 l mbar/s cm 2 , consistent with the untreated or electropolished stainless steel CFVA, but the HD formation remained. The Restek EP bottle was used as a reference for this work. The Restek Electro-Polished (EP) bottle and their SilTek coated bottles tested under a different research project exhibited very little hydrogen off-gassing and unmeasurable HD formation. ND and Cu were initially chosen to develop improved passivation technology, because Cu has a lower permeability of hydrogen, and diamond is more inert than other materials under a hydrogen atmosphere. However, our tests demonstrated that even after an 8-18 day vacuum extraction heat treatment, the electroless plated Cu and ND-Cu coated stainless steel CFVAs exhibited H 2 off-gassing rates that were just comparable to those for the untreated or electropolished stainless steel CFVA, and the HD formation was still observed. Thus, the Restek Electro-Polished (EP) bottle outperformed the electroless plated Cu and ND-Cu coated stainless steel CFVAs, and the electroless plated nanodiamond coating is not promising as a surface passivation technology. However, the ND-Cu coating may be beneficial to another application in which catalyzing the H 2 -D 2 exchange reaction is desired.

08 HYDROGEN↗

NASA NTRS1976

Potential biomedical applications of ion beam technology

Electron bombardment ion thrusters used as ion sources have demonstrated a unique capability to vary the surface morphology of surgical implant materials. The microscopically rough surface texture produced by ion beam sputtering of these materials may result in improvements in the biological response and/or performance of implanted devices. Control of surface roughness may result in improved attachment of the implant to soft tissue, hard tissue, bone cement, or components deposited from blood. Potential biomedical applications of ion beam texturing discussed include: vascular prostheses, artificial heart pump diaphragms, pacemaker fixation, percutaneous connectors, orthopedic pros-thesis fixtion, and dental implants.

Banks, B. A.↗

NASA NTRS1976

Potential biomedical applications of ion beam technology

Banks, B. A.↗

NASA NTRS1998

Integrated Studies of Impact-Basin Ejecta as Probes of the Lunar Crust: Imbrium and Serenitatis

The large, late, basin impacts on the Earth side of the Moon fundamentally reshaped the structure of the crust, its surface morphology, and the composition of the megaregolith and surface soils. The latest (except for Orientale on the western limb) and largest was the Imbrium impact, which produced massive ejecta deposits over much of the Procellarum region and beyond, and ejected material that mixed with surface regolith nearly Moonwide. The basins serve as natural probes into the lunar crust; therefore, understanding the nature and composition of ejecta produced by them provides information about the crust at depth. Gravity data allow modeling of the structure of the crust beneath the basins, and from such models one can infer depths of excavation and the nature of crustal response following impact.

Jolliff, Brad L.↗

NASA NTRS2001

Workshop on Science and the Human Exploration of Mars

The exploration of Mars will be a multi-decadal activity. Currently, a scientific program is underway, sponsored by NASA's Office of Space Science in the United States, in collaboration with international partners France, Italy, and the European Space Agency. Plans exist for the continuation of this robotic program through the first automated return of Martian samples in 2014. Mars is also a prime long-term objective for human exploration, and within NASA, efforts are being made to provide the best integration of the robotic program and future human exploration missions. From the perspective of human exploration missions, it is important to understand the scientific objectives of human missions, in order to design the appropriate systems, tools, and operational capabilities to maximize science on those missions. In addition, data from the robotic missions can provide critical environmental data - surface morphology, materials composition, evaluations of potential toxicity of surface materials, radiation, electrical and other physical properties of the Martian environment, and assessments of the probability that humans would encounter Martian life forms. Understanding of the data needs can lead to the definition of experiments that can be done in the near-term that will make the design of human missions more effective. This workshop was convened to begin a dialog between the scientific community that is central to the robotic exploration mission program and a set of experts in systems and technologies that are critical to human exploration missions. The charge to the workshop was to develop an understanding of the types of scientific exploration that would be best suited to the human exploration missions and the capabilities and limitations of human explorers in undertaking science on those missions.

Duke, M. B.↗

DOE OSTI2017

Kinetic Monte Carlo simulations of GaN homoepitaxy on c- and m-plane surfaces

The surface orientation can have profound effects on the atomic-scale processes of crystal growth and is essential to such technologies as GaN-based light-emitting diodes and high-power electronics. We investigate the dependence of homoepitaxial growth mechanisms on the surface orientation of a hexagonal crystal using kinetic Monte Carlo simulations. To model GaN metal-organic vapor phase epitaxy, in which N species are supplied in excess, only Ga atoms on a hexagonal close-packed (HCP) lattice are considered. The results are thus potentially applicable to any HCP material. Growth behaviors on c-plane (0001) and m-plane (011¯0) surfaces are compared. We present a reciprocal space analysis of the surface morphology, which allows extraction of growth mode boundaries and direct comparison with surface X-ray diffraction experiments. For each orientation, we map the boundaries between 3-dimensional, layer-by-layer, and step flow growth modes as a function of temperature and growth rate. Two models for surface diffusion are used, which produce different effective Ehrlich-Schwoebel step-edge barriers and different adatom diffusion anisotropies on m-plane surfaces. Simulation results in agreement with observed GaN island morphologies and growth mode boundaries are obtained. These indicate that anisotropy of step edge energy, rather than adatom diffusion, is responsible for the elongated islands observed on m-plane surfaces. As a result, island nucleation spacing obeys a power-law dependence on growth rate, with exponents of –0.24 and –0.29 for the m- and c-plane, respectively.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Growth and characterization of type-II superlattice photodiodes with cutoff wavelength of 12 μm on 4-in. wafer

High performance InAs/GaSb superlattices for long-wavelength infrared detection were grown on a 4-in. GaSb wafer using molecular beam epitaxy. The influence of the growth temperature, V/III BEP ratio on the surface morphology and microstructure was researched. The good uniformity of the surface roughness and crystallization at four location along the radial direction on the wafer was obtained by balancing the inner and outer growth temperature. The performance deviation of the four photodiodes fabricated using the superlattices from center to edge on the wafer was below 20% which revealed the uniformity of the superlattice growth and the fabrication process. The 50% cutoff wavelength was about 12 μm. The peak responsivity was 2.54 A/W corresponding to a quantum efficiency of 35.1% at 77 K. The zero bias differential resistance-area product (R{sub 0}A) was 2.1 Ω cm{sup 2} due to the barrier structure design which restrains the diffusion dark current. The calculated Johnson noise limited detectivity was 5.75 × 10{sup 10} cm √Hz/W at 10 μm and 4.13 × 10{sup 10} cm √Hz/W at 14 μm.

36 MATERIALS SCIENCE↗

DOE OSTI2011

Thermally induced nanoscale structural and morphological changes for atomic-layer-deposited Pt on SrTiO{sub 3}(001).

Platinum grown by atomic layer deposition (ALD) on SrTiO{sub 3}(001) surfaces was studied as a function of Pt coverage and post-deposition thermal treatment. The combination of atomic-force microscopy, scanning electron microscopy, x-ray fluorescence, x-ray reflectivity, and grazing-incidence small-angle x-ray scattering reveals significant changes in the nanoscale surface morphology and crystallinity for the differently prepared films. Surfaces with Pt coverages from 1 to 40 monolayers (ML) show different initial morphologies that evolve into different final Pt microstructures after annealing to 800 C. These distinct nanoscale structural changes are explained by surface diffusion and the surface and interface energies for noble metals on oxides.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Laterally Modulating Carrier Concentration by Ion Irradiation in CdO Thin Films for Mid‐IR Plasmonics

This report demonstrates tunable carrier densities in CdO thin films through local ion irradiation, providing lateral control of mid‐IR optical properties. Ion‐solid interactions produce donor‐like defects that boost electron concentrations from the practical minimum of 2.5 × 10 19 cm −3 to a maximum of 2.5 × 10 20 cm −3 by metered ion exposure. This range is achieved using He, N, Ar, or Au ions at 1–2.8 MeV; when normalized by displacements per atom, all ion species produce comparable results. Since CdO is well‐described by the Drude model, irradiation‐tuned carrier densities directly alter the infrared dielectric function, and in turn, mid‐infrared optical properties. Further, it is demonstrated that by combining irradiation with traditional lithography, CdO films expose to ions in the presence of 3‐µm thick, patterned photoresist exhibit lateral carrier density profiles with ≈400‐nm resolution. Scanning near‐field optical microscopy reveals sharp optical interfaces with almost no companion contrast in surface morphology, microstructure, or crystallinity. Finally, CdO lateral homostructures supporting surface plasmon polaritons (SPPs) are demonstrated whose dispersion relation can be tuned through periodic patterning in a monolithic platform by simple nanofabrication. Numerical simulations show these polaritons result from strong coupling between excitations at CdO plasma frequencies and SPPs supported by the platinum substrate.

cadmium oxide↗

DOE OSTI2018

First-principles study of stability of helium-vacancy complexes below tungsten surfaces

Density function theory calculations have been performed to study the stability of small helium-vacancy (He-V) complexes near tungsten (W) surfaces of different orientations. The results show that the stability of vacancies and He-V complexes near W surfaces depends on surface orientation. However, as the depth below the surface increased beyond about 0.65–0.8 nm, the stability of He-V complexes is similar to the bulk. The formation energies of single vacancies and di-vacancies at depths less than 0.2 nm below the W(110) surface are higher than for W(100) or W(111) surfaces, but have lower energies at depths between 0.2 and 0.65 nm. The formation energies of He-V complexes below W surfaces are sensitive to the geometric orientation of the He and vacancy, especially below the W(111) surface. Within about 0.2 nm of the top layer of the three W surfaces, neither a vacancy nor a di-vacancy can trap He. Because of the lower formation energy of He-V complexes and higher He binding energy to vacancies below the W(110) surface, the He desorption from the W(110) surface is less likely to occur than from the W(100) and W(111) surfaces. Here, our results provide fundamental insight into the differences in surface morphology changes observed in single W crystals with different surface orientations under He plasma exposure.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

Temperature-Dependent Sn Incorporation and Defect Formation in Pseudomorphic SiSn Layers on Si (001) via Molecular Beam Epitaxy

SiSn alloys have attracted growing interest for group-IV bandgap engineering, although their epitaxial growth remains challenging due to the extremely low equilibrium solubility of Sn in Si. In this work, fully strained (pseudomorphic) SiSn epitaxial layers were grown on Si (001) substrates by means of molecular beam epitaxy. A systematic investigation reveals a strong inverse correlation between growth temperature and Sn incorporation efficiency. Despite a constant Sn flux, the incorporated Sn composition decreases from 5.5% to 3.2% as the growth temperature increases, indicating a pronounced temperature dependence of Sn incorporation. Reflection high-energy electron diffraction indicates a gradual transition of the growth from two-dimensional to three-dimensional with increasing film thickness. Structural characterization by means of X-ray diffraction, atomic force microscopy, and transmission electron microscopy confirms the pseudomorphic growth and smooth surface morphology and reveals twins and stacking faults near the surface region. These results establish a quantitative reference for SiSn growth kinetics and provide guidance for future studies of SiSn and SiGeSn alloys in silicon-compatible electronic and optoelectronic applications.

SiSn alloys↗