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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Bismuth nano-droplets for group-V based molecular-beam droplet epitaxy

Self-assembly of bismuth droplets at nanoscale on GaAs(100) surface using molecular beam epitaxy was demonstrated. Fine control of density and size was achieved by varying growth temperature and total bismuth deposition. Droplet density was tuned by roughly 3 orders of magnitude, and the density-temperature dependence was found to be consistent with classical nucleation theory. These results may extend the flexibility of droplet epitaxy by serving as templates for group V based droplet epitaxy, which is in contrast to conventional group III based droplet epitaxy and may encourage nanostructure formation of bismuth-containing materials.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Contactless monitoring of Ge content and B concentration in ultrathin single and double layer Si{sub 1-x}Ge{sub x} epitaxial films using multiwavelength micro-Raman spectroscopy

Non-contact monitoring of Ge content and B concentration in single and double Si{sub 1-x}Ge{sub x} epitaxial layers on Si(100) device wafers was attempted using high-resolution, multiwavelength micro-Raman spectroscopy. The Ge content and B concentration determined by secondary ion mass spectroscopy (SIMS) depth profiling showed very strong correlation with the position and full-width-at-half-maximum of the Si-Si peak from the Si{sub 1-x}Ge{sub x} epitaxial layers as determined by Raman measurements. High resolution X-ray diffraction (HRXRD) characterization was done for all wafers to determine Ge and B sensitivity and form comparisons with Raman and SIMS analysis. The non-destructive, in-line monitoring of Ge content and B concentration of single and double Si{sub 1-x}Ge{sub x} epitaxial layers with thickness ranging from 5 {approx} 120 nm, on small area monitoring pads, was successfully demonstrated by multiwavelength micro-Raman spectroscopy during epitaxial process optimization, material property verification, and quality control applications.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Low-temperature formation of epitaxial graphene on 6H-SiC induced by continuous electron beam irradiation

It is observed that epitaxial graphene forms on the surface of a 6H-SiC substrate by irradiating electron beam directly on the sample surface in high vacuum at relatively low temperature ({approx}670 Degree-Sign C). The symmetric shape and full width at half maximum of 2D peak in the Raman spectra indicate that the formed epitaxial graphene is turbostratic. The gradual change of the Raman spectra with electron beam irradiation time increasing suggests that randomly distributed small grains of epitaxial graphene form first and grow laterally to cover the entire irradiated area. The sheet resistance of epitaxial graphene film is measured to be {approx}6.7 k{Omega}/sq.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Highly c-axis oriented growth of GaN film on sapphire (0001) by laser molecular beam epitaxy using HVPE grown GaN bulk target

Growth temperature dependant surface morphology and crystalline properties of the epitaxial GaN layers grown on pre-nitridated sapphire (0001) substrates by laser molecular beam epitaxy (LMBE) were investigated in the range of 500–750 °C. The grown GaN films were characterized using high resolution x-ray diffraction, atomic force microscopy (AFM), micro-Raman spectroscopy, and secondary ion mass spectroscopy (SIMS). The x-ray rocking curve full width at a half maximum (FWHM) value for (0002) reflection dramatically decreased from 1582 arc sec to 153 arc sec when the growth temperature was increased from 500 °C to 600 °C and the value further decreased with increase of growth temperature up to 720 °C. A highly c-axis oriented GaN epitaxial film was obtained at 720 °C with a (0002) plane rocking curve FWHM value as low as 102 arc sec. From AFM studies, it is observed that the GaN grain size also increased with increasing growth temperature and flat, large lateral grains of size 200-300 nm was obtained for the film grown at 720 °C. The micro-Raman spectroscopy studies also exhibited the high-quality wurtzite nature of GaN film grown on sapphire at 720 °C. The SIMS measurements revealed a non-traceable amount of background oxygen impurity in the grown GaN films. The results show that the growth temperature strongly influences the surface morphology and crystalline quality of the epitaxial GaN films on sapphire grown by LMBE.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Strain controlled metal-insulator transition in epitaxial NdNiO{sub 3} thin films

We have fabricated epitaxial thin films of NdNiO{sub 3} (NNO) on various single crystal substrates. The transport properties of NNO films are very sensitive to substrate-controlled epitaxial strain. As the strain varies from tensile to compressive, the Mott metal-insulator transition of NNO films shifts to low temperatures. Under a larger compressive strain, the film on LaSrAlO{sub 4} substrate exhibits a practically metallic transport characteristic. We have found that the conductivities of NNO films at low temperatures follow Mott's variable range hopping mechanism rather than thermal activation model and the epitaxial strain has a strong effect on Mott's parameters of NNO films. These findings demonstrate that the electronic transport of NNO thin films can be tuned by the epitaxial strain for next-generation perovskite-based microelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Elemental diffusion during the droplet epitaxy growth of In(Ga)As/GaAs(001) quantum dots by metal-organic chemical vapor deposition

Droplet epitaxy is an important method to produce epitaxial semiconductor quantum dots (QDs). Droplet epitaxy of III-V QDs comprises group III elemental droplet deposition and the droplet crystallization through the introduction of group V elements. Here, we report that, in the droplet epitaxy of InAs/GaAs(001) QDs using metal-organic chemical vapor deposition, significant elemental diffusion from the substrate to In droplets occurs, resulting in the formation of In(Ga)As crystals, before As flux is provided. The supply of As flux suppresses the further elemental diffusion from the substrate and promotes surface migration, leading to large island formation with a low island density.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Interfacial band alignment and structural properties of nanoscale TiO{sub 2} thin films for integration with epitaxial crystallographic oriented germanium

We have investigated the structural and band alignment properties of nanoscale titanium dioxide (TiO{sub 2}) thin films deposited on epitaxial crystallographic oriented Ge layers grown on (100), (110), and (111)A GaAs substrates by molecular beam epitaxy. The TiO{sub 2} thin films deposited at low temperature by physical vapor deposition were found to be amorphous in nature, and high-resolution transmission electron microscopy confirmed a sharp heterointerface between the TiO{sub 2} thin film and the epitaxially grown Ge with no traceable interfacial layer. A comprehensive assessment on the effect of substrate orientation on the band alignment at the TiO{sub 2}/Ge heterointerface is presented by utilizing x-ray photoelectron spectroscopy and spectroscopic ellipsometry. A band-gap of 3.33 ± 0.02 eV was determined for the amorphous TiO{sub 2} thin film from the Tauc plot. Irrespective of the crystallographic orientation of the epitaxial Ge layer, a sufficient valence band-offset of greater than 2 eV was obtained at the TiO{sub 2}/Ge heterointerface while the corresponding conduction band-offsets for the aforementioned TiO{sub 2}/Ge system were found to be smaller than 1 eV. A comparative assessment on the effect of Ge substrate orientation revealed a valence band-offset relation of ΔE{sub V}(100) > ΔE{sub V}(111) > ΔE{sub V}(110) and a conduction band-offset relation of ΔE{sub C}(110) > ΔE{sub C}(111) > ΔE{sub C}(100). These band-offset parameters are of critical importance and will provide key insight for the design and performance analysis of TiO{sub 2} for potential high-κ dielectric integration and for future metal-insulator-semiconductor contact applications with next generation of Ge based metal-oxide field-effect transistors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Effect of rapid thermal processing on copper precipitation in p/p{sup +} silicon epitaxial wafers with heavily boron-doped substrates

The effect of rapid thermal processing (RTP) on the formation of copper precipitation in p/p{sup +} silicon (Si) epitaxial wafers was systematically investigated by defect etching and optical microscopy. After RTP preannealing at high temperature (1250 °C/60 s, with cooling rate 30 K/s) followed by the 750 °C/8 h + 1050 °C/16 h low-high (L-H) two-step annealing, it was revealed that the bulk microdefects were found only inside the p{sup +} substrate, manifesting no defects generated in the epitaxial layer. However, it was found that the width of denude zone (DZ) in samples only subjected to L-H two-step annealing was narrower than that of epitaxial layer, which meant that oxygen precipitation was formed in epitaxial layer. It can be concluded that RTP was beneficial to the formation of DZ. Additionally, it was found that the width of DZ has a sharp dependence on the introducing temperature of copper contamination, that is, the corresponding equilibrium concentration of interstitial copper in the Si influence the thermodynamics and kinetics process of the formation of copper precipitation significantly.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Magnetization reversal of in-plane uniaxial Co films and its dependence on epitaxial alignment

This work studies the influence of crystallographic alignment onto magnetization reversal in partially epitaxial Co films. A reproducible growth sequence was devised that allows for the continuous tuning of grain orientation disorder in Co films with uniaxial in-plane anisotropy by the controlled partial suppression of epitaxy. While all stable or meta-stable magnetization states occurring during a magnetic field cycle exhibit a uniform magnetization for fully epitaxial samples, non-uniform states appear for samples with sufficiently high grain orientation disorder. Simultaneously with the occurrence of stable domain states during the magnetization reversal, we observe a qualitative change of the applied field angle dependence of the coercive field. Upon increasing the grain orientation disorder, we observe a disappearance of transient domain wall propagation as the dominating reversal process, which is characterized by an increase of the coercive field for applied field angles away from the easy axis for well-ordered epitaxial samples. Upon reaching a certain disorder threshold level, we also find an anomalous magnetization reversal, which is characterized by a non-monotonic behavior of the remanent magnetization and coercive field as a function of the applied field angle in the vicinity of the nominal hard axis. This anomaly is a collective reversal mode that is caused by disorder-induced frustration and it can be qualitatively and even quantitatively explained by means of a two Stoner-Wohlfarth particle model. Its predictions are furthermore corroborated by Kerr microscopy and by Brillouin light scattering measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Absence of strain-mediated magnetoelectric coupling at fully epitaxial Fe/BaTiO{sub 3} interface (invited)

Interfacial MagnetoElectric coupling (MEC) at ferroelectric/ferromagnetic interfaces has recently emerged as a promising route to achieve electrical writing of magnetic information in spintronic devices. For the prototypical Fe/BaTiO{sub 3} (BTO) system, various MEC mechanisms have been theoretically predicted. Experimentally, it is well established that using BTO single crystal substrates MEC is dominated by strain-mediated mechanisms. In case of ferromagnetic layers epitaxially grown onto BTO films, instead, no direct evidence for MEC has been provided, apart from the results obtained on tunneling junction sandwiching a BTO tunneling barrier. In this paper, MEC at fully epitaxial Fe/BTO interface is investigated by Magneto-Optical Kerr Effect and magnetoresistance measurements on magnetic tunnel junctions fabricated on BTO. We find no evidence for strain-mediated MEC mechanisms in epitaxial systems, likely due to clamping of BTO to the substrate. Our results indicate that pure electronic MEC is the route of choice to be explored for achieving the electrical writing of information in epitaxial ferromagnet-ferroelectric heterostructures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Enhanced dielectric nonlinearity in epitaxial Pb{sub 0.92}La{sub 0.08}Zr{sub 0.52}Ti{sub 0.48}O{sub 3} thin films

High quality c-axis oriented epitaxial Pb{sub 0.92}La{sub 0.08}Zr{sub 0.52}Ti{sub 0.48}O{sub 3} films were fabricated using pulsed laser deposition on (001) LaAlO{sub 3} substrates with conductive LaNiO{sub 3} buffers. Besides confirmation of the in-plane and out-of-plane orientations using X-ray diffraction, transmission electron microscopy study has revealed columnar structure across the film thickness with column width around 100 nm. Characterization of ferroelectric properties was carried out in comparison with polycrystalline Pb{sub 0.92}La{sub 0.08}Zr{sub 0.52}Ti{sub 0.48}O{sub 3} films to extract the effect of epitaxial growth. It is found that the ratio between the irreversible Rayleigh parameter and reversible parameter increased up to 0.028 cm/kV at 1 kHz on epitaxial samples, which is more than twice of that on their polycrystalline counterparts. While this ratio decreased to 0.022 cm/kV with increasing frequency to100 kHz, a much less frequency dependence was observed as compared to the polycrystalline case. The epitaxial Pb{sub 0.92}La{sub 0.08}Zr{sub 0.52}Ti{sub 0.48}O{sub 3} films exhibited a higher mobility of domain wall and the higher extrinsic contribution to the dielectric properties, as well as reduced density of defects, indicating that it is promising for tunable and low power consumption devices.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Anomalous thickness-dependent strain states and strain-tunable magnetization in Zn-doped ferrite epitaxial films

A series of Zn{sub x}Fe{sub 3−x}O{sub 4} (ZFO, x = 0.4) thin films were epitaxially deposited on single-crystal (001)-SrTiO{sub 3} (STO) substrates by radio frequency magnetron sputtering. The anomalous thickness-dependent strain states of ZFO films were found, i.e., a tensile in-plane strain exists in the thinner ZFO film and which monotonously turns into compressive in the thicker films. Considering the lattice constant of bulk ZFO is bigger than that of STO, this strain state cannot be explained in the conventional framework of lattice-mismatch-induced strain in the hetero-epitaxial system. This unusual phenomenon is proposed to be closely related to the Volmer-Weber film growth mode in the thinner films and incorporation of the interstitial atoms into the island's boundaries during subsequent epitaxial growth of the thicker films. The ZFO/STO epitaxial film is found in the nature of magnetic semiconductor by transport measurements. The in-plane magnetization of the ZFO/STO films is found to increase as the in-plane compressive strain develops, which is further proved in the (001)-ZFO/PMN-PT film where the film strain state can be in situ controlled with applied electric field. This compressive-strain-enhanced magnetization can be attributed to the strain-mediated electric-field-induced in-plane magnetic anisotropy field enhancement. The above results indicate that strain engineering on magnetic oxide semiconductor ZFO films is promising for novel oxide-electronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Numerical simulations of epitaxial growth process in MOVPE reactor as a tool for design of modern semiconductors for high power electronics

In the present study numerical simulations of epitaxial growth of gallium nitride in Metal Organic Vapor Phase Epitaxy reactor AIX-200/4RF-S is addressed. Epitaxial growth means crystal growth that progresses while inheriting the laminar structure and the orientation of substrate crystals. One of the technological problems is to obtain homogeneous growth rate over the main deposit area. Since there are many agents influencing reaction on crystal area such as temperature, pressure, gas flow or reactor geometry, it is difficult to design optimal process. According to the fact that it's impossible to determine experimentally the exact distribution of heat and mass transfer inside the reactor during crystal growth, modeling is the only solution to understand the process precisely. Numerical simulations allow to understand the epitaxial process by calculation of heat and mass transfer distribution during growth of gallium nitride. Including chemical reactions in numerical model allows to calculate the growth rate of the substrate and estimate the optimal process conditions for obtaining the most homogeneous product.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Strain-controlled optical absorption in epitaxial ferroelectric BaTiO{sub 3} films

A lattice strain of 0.3%–1.3% is achieved in epitaxial tetragonal BaTiO{sub 3} films grown on (001)-oriented SrTiO{sub 3} single-crystal substrates. Our experimental studies of absorption spectra in the range of 0.74–9.0 eV demonstrate that epitaxy produces significant changes in the optical properties of the films compared with those of a reference polydomain BaTiO{sub 3} crystal: the absorption edge and the peak at 5 eV strongly blue-shift by 0.2–0.4 eV, the magnitude of the peak at 5 eV drops, and certain spectral features disappear, whereas the absorption peak at 8.5 eV remains unchanged. The observed behavior is attributed to ferroelectric polarization, which is enhanced by epitaxial strain in the films. Our results indicate that epitaxially induced variations of ferroelectric polarization may be used to tailor the optical properties of thin films for photonic and optoelectronic applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Crystallization engineering as a route to epitaxial strain control

The controlled synthesis of epitaxial thin films offers opportunities for tuning their functional properties via enabling or suppressing strain relaxation. Examining differences in the epitaxial crystallization of amorphous oxide films, we report on an alternate, low-temperature route for strain engineering. Thin films of amorphous Bi–Fe–O were grown on (001)SrTiO{sub 3} and (001)LaAlO{sub 3} substrates via atomic layer deposition. In situ X-ray diffraction and X-ray photoelectron spectroscopy studies of the crystallization of the amorphous films into the epitaxial (001)BiFeO{sub 3} phase reveal distinct evolution profiles of crystallinity with temperature. While growth on (001)SrTiO{sub 3} results in a coherently strained film, the same films obtained on (001)LaAlO{sub 3} showed an unstrained, dislocation-rich interface, with an even lower temperature onset of the perovskite phase crystallization than in the case of (001)SrTiO{sub 3}. Our results demonstrate how the strain control in an epitaxial film can be accomplished via its crystallization from the amorphous state.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Microscopic potential fluctuations in Si-doped AlGaN epitaxial layers with various AlN molar fractions and Si concentrations

Nanoscopic potential fluctuations of Si-doped AlGaN epitaxial layers with the AlN molar fraction varying from 0.42 to 0.95 and Si-doped Al{sub 0.61}Ga{sub 0.39}N epitaxial layers with Si concentrations of 3.0–37 × 10{sup 17 }cm{sup −3} were investigated by cathodoluminescence (CL) imaging combined with scanning electron microscopy. The spot CL linewidths of AlGaN epitaxial layers broadened as the AlN molar fraction was increased to 0.7, and then narrowed at higher AlN molar fractions. The experimental linewidths were compared with the theoretical prediction from the alloy broadening model. The trends displayed by our spot CL linewidths were consistent with calculated results at AlN molar fractions of less than about 0.60, but the spot CL linewidths were markedly broader than the calculated linewidths at higher AlN molar fractions. The dependence of the difference between the spot CL linewidth and calculated line broadening on AlN molar fraction was found to be similar to the dependence of reported S values, indicating that the vacancy clusters acted as the origin of additional line broadening at high AlN molar fractions. The spot CL linewidths of Al{sub 0.61}Ga{sub 0.39}N epitaxial layers with the same Al concentration and different Si concentrations were nearly constant in the entire Si concentration range tested. From the comparison of reported S values, the increase of V{sub Al} did not contribute to the linewidth broadening, unlike the case of the V{sub Al} clusters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Growth temperature-dependent metal–insulator transition of vanadium dioxide epitaxial films on perovskite strontium titanate (111) single crystals

Vanadium dioxide (VO{sub 2}) epitaxial films were grown on perovskite single-crystal strontium titanate (SrTiO{sub 3}) substrates by reactive radio-frequency magnetron sputtering. The growth temperature-dependent metal–insulator transition (MIT) behavior of the VO{sub 2} epitaxial films was then investigated. We found that the order of magnitude of resistance change across the MIT increased from 10{sup 2} to 10{sup 4} with increasing growth temperature. In contrast, the temperature of the MIT does not strongly depend on the growth temperature and is fairly stable at about 345 K. On one hand, the increasing magnitude of the MIT is attributed to the better crystallinity and thus larger grain size in the (010)-VO{sub 2}/(111)-SrTiO{sub 3} epitaxial films at elevated temperature. On the other hand, the strain states do not change in the VO{sub 2} films deposited at various temperatures, resulting in stable V-V chains and V-O bonds in the VO{sub 2} epitaxial films. The accompanied orbital occupancy near the Fermi level is also constant and thus the MIT temperatures of VO{sub 2} films deposited at various temperatures are nearly the same. This work demonstrates that high-quality VO{sub 2} can be grown on perovskite substrates, showing potential for integration into oxide heterostructures and superlattices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Catastrophic degradation of the interface of epitaxial silicon carbide on silicon at high temperatures

Epitaxial cubic silicon carbide on silicon is of high potential technological relevance for the integration of a wide range of applications and materials with silicon technologies, such as micro electro mechanical systems, wide-bandgap electronics, and graphene. The hetero-epitaxial system engenders mechanical stresses at least up to a GPa, pressures making it extremely challenging to maintain the integrity of the silicon carbide/silicon interface. In this work, we investigate the stability of said interface and we find that high temperature annealing leads to a loss of integrity. High–resolution transmission electron microscopy analysis shows a morphologically degraded SiC/Si interface, while mechanical stress measurements indicate considerable relaxation of the interfacial stress. From an electrical point of view, the diode behaviour of the initial p-Si/n-SiC junction is catastrophically lost due to considerable inter-diffusion of atoms and charges across the interface upon annealing. Temperature dependent transport measurements confirm a severe electrical shorting of the epitaxial silicon carbide to the underlying substrate, indicating vast predominance of the silicon carriers in lateral transport above 25 K. This finding has crucial consequences on the integration of epitaxial silicon carbide on silicon and its potential applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗