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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Engineering SrSnO 3 Phases and Electron Mobility at Room Temperature Using Epitaxial Strain

High-speed electronics require epitaxial films with exceptionally high carrier mobility at room temperature (RT). Alkaline-earth stannates with high RT mobility show outstanding prospects for oxide electronics operating at ambient temperatures. However, despite significant progress over the last few years, mobility in stannate films has been limited by dislocations because of the inability to grow fully coherent films. Here, we demonstrate the growth of coherent, strain-engineered phases of epitaxial SrSnO 3 (SSO) films using a radical-based molecular beam epitaxy approach. Compressive strain stabilized the high-symmetry tetragonal phase of SSO at RT, which, in bulk, exists only at temperatures between 1062 and 1295 K. We achieved a mobility enhancement of over 300% in doped films compared with the low-temperature orthorhombic polymorph. Using comprehensive temperature-dependent synchrotron-based X-ray measurements, electronic transport, and first principles calculations, crystal and electronic structures of SSO films were investigated as a function of strain. Furthermore, we argue that strain-engineered films of stannate will enable high mobility oxide electronics operating at RT with the added advantage of being optically transparent.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Double epitaxy as a paradigm for templated growth of highly ordered three-dimensional mesophase crystals

Molecular templating and self-assembly are fundamental mechanisms for controlling the morphology of biominerals, while in synthetic two-dimensional layered materials similar levels of control over materials structure can be achieved through the epitaxial relationship with the substrate. In this study these two concepts are combined to provide an approach for the nucleation and growth of three-dimensional ordered mesophases on solid surfaces. A combined experimental and theoretical study revealed how atomic ordering of the substrate controls the structure of surfactant template and the orientation and morphology of the epitaxially grown inorganic material. Such dual epitaxial relationship between the substrate, surfactant template and inorganic mesophase gives rise to a highly ordered porous mesophase with a well-defined cubic lattice of pores. The level of control over material’s three-dimensional architecture achieved in this one-step synthesis is reminiscent to that in biomineralization.

crystal growth↗
DOE OSTI2020

Scalable ultrafast epitaxy of large-grain and single-crystal II-VI semiconductors

A general problem for semiconductor applications is that very slow deposition on expensive single-crystal substrates yields high crystalline quality with excellent electro-optical properties, but at prohibitive costs and throughput for many applications. In contrast, rapid deposition on inexpensive substrates or nanocrystalline films yields low costs, but comparatively inferior crystallinity, carrier transport, and recombination. Here, we present methods to deposit single-crystal material at rates 2-3 orders of magnitude faster than state-of-the-art epitaxy with low-cost methods without compromising crystalline or electro-optical quality. For example, single-crystal CdTe and CdZnTe films that would take several days to grow by molecular-beam epitaxy are deposited in 8 minutes by close-spaced sublimation, yet retain the same crystalline quality measured by X-ray diffraction rocking curves. The fast deposition is coupled with effective n- and p-type in-situ doping by In, P, and As. The epitaxy can be extended to nanocrystalline substrates. For example, we recrystallize thin CdTe films on glass to deposit large grains with low defect density. The results provide new research paths for photovoltaics, detectors, infrared imaging, flexible electronics, and other applications.

14 SOLAR ENERGY↗
DOE OSTI2011

Hot electron transmission in metals using epitaxial NiSi{sub 2}/n-Si(111) interfaces

We have investigated hot electron transmission across epitaxial metal-disilicide/n-Si(111) interfaces using ballistic electron emission microscopy (BEEM). Different crystal orientations of epitaxial NiSi{sub 2} were grown on a Si(111) substrate using molecular beam epitaxy. The presence of different interfaces of NiSi{sub 2} on Si(111) were confirmed by high resolution transmission electron microscopy. Electrical transport measurements reveal a clear rectifying Schottky interface with a barrier height of 0.69 eV. However, using BEEM, three different regions with different transmissions and Schottky barrier heights of 0.65 eV, 0.78 eV, and 0.71 eV are found. The addition of a thin Ni film on the NiSi{sub 2} layer strongly reduces the transmission in all the three regions and interestingly, almost equalizes the transmission across them.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Epitaxial Ag(001) grown on MgO(001) and TiN(001): Twinning, surface morphology, and electron surface scattering

Epitaxial Ag(001) layers were deposited on MgO(001) in order to study electron surface scattering. X-ray reflection indicates 3D layer nucleation with a high rms surface roughness of 1.0 nm for a layer thickness d = 3.5 nm. X-ray diffraction shows that {l_brace}111{r_brace} twins form at d < 11 nm, followed by 2nd generation twinning for 11 nm < d < 120 nm. Increasing the growth temperature from 25 to 150 deg. C suppresses 2nd generation twinning and reduces the twin density by 2 orders of magnitude. In situ deposition of epitaxial 2.5-nm-thick TiN(001) underlayers prior to Ag deposition results in twin-free single-crystal Ag(001) with 10 x smoother surfaces for d = 3.5 nm. This is attributed to a better wetting on the higher energy TiN(001) than MgO(001) surface, resulting in the absence of 3D nuclei with exposed {l_brace}111{r_brace} facets, which facilitate twin nucleation. The twinned Ag/MgO layers have a higher resistivity {rho} than the single crystal Ag/TiN layers at both 298 and 77 K, due to electron scattering at grain and twin boundaries. The {rho} for single-crystal Ag layers increases with decreasing d, which is well explained with known surface scattering models and provides specularity parameters for the Ag-vacuum and the Ag-air interfaces of p = 0.8 {+-} 0.1 and 0.4 {+-} 0.1, respectively. A comparison with corresponding epitaxial Cu(001) layers shows that {rho}{sub Ag} < {rho}{sub Cu} for d > 50 nm, consistent with known bulk values. However, {rho}{sub Ag} > {rho}{sub Cu} for d < 40 nm. This is attributed to the larger electron mean free path for electron-phonon scattering and a correspondingly higher resistivity contribution from surface scattering in Ag than Cu. In contrast, air exposure causes {rho}{sub Ag} < {rho}{sub Cu} for all d, due to diffuse scattering at the oxidized Cu surface and the correspondingly higher Cu resistivity.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Structure of Si-capped Ge/SiC/Si (001) epitaxial nanodots: Implications for quantum dot patterning

Artificially ordered quantum dot (QD) arrays, where confined carriers can interact via direct exchange coupling, may create unique functionalities such as cluster qubits and spintronic bandgap systems. Development of such arrays for quantum computing requires fine control over QD size and spatial arrangement on the sub-35 nm length scale. We employ electron-beam irradiation to locally decompose ambient hydrocarbons onto a bare Si (001) surface. These carbonaceous patterns are annealed in ultra-high vacuum (UHV), forming ordered arrays of nanoscale SiC precipitates that have been suggested to template subsequent epitaxial Ge growth to form ordered QD arrays. We show that 3C-SiC nanodots form, in cube-on-cube epitaxial registry with the Si substrate. The SiC nanodots are fully relaxed by misfit dislocations and exhibit small lattice rotations with respect to the substrate. Ge overgrowth at elevated deposition temperatures, followed by Si capping, results in expulsion of the Ge from SiC template sites due to the large chemical and lattice mismatch between Ge and C. Maintaining an epitaxial, low-defectivity Si matrix around the quantum dots is important for creating reproducible electronic and spintronic coupling of states localized at the QDs.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Electrical characterization of all-epitaxial Fe/GaN(0001) Schottky tunnel contacts

We analyze the properties of Fe Schottky contacts prepared in situ on n-type GaN(0001) by molecular beam epitaxy. In particular, we investigate the suitability of these epitaxial Fe layers for electrical spin injection. Current-voltage-temperature measurements demonstrate pure field emission for Fe/GaN:Si Schottky diodes with [Si]=5 Multiplication-Sign 10{sup 18} cm{sup -3}. The Schottky barrier height of the clean, epitaxial Fe/GaN interface is determined by both current-voltage-temperature and capacitance-voltage techniques to be (1.47{+-}0.09)eV.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Recrystallization of an amorphized epitaxial phase-change alloy: A phoenix arising from the ashes

Epitaxial Ge{sub 2}Sb{sub 2}Te{sub 5} films grown on Si(111) by molecular beam epitaxy were reversibly switched between crystalline and amorphous states over a large area using femtosecond laser pulses. The structural and spatial homogeneity of the as-grown epitaxial and laser-switched areas on the sample were investigated by synchrotron nanofocus high resolution x-ray diffraction. The investigation clearly demonstrated that the single crystalline metastable cubic phase of Ge{sub 2}Sb{sub 2}Te{sub 5} is restored after switching. No polycrystalline features, not only on the average but even on the nanometer scale of the x-ray beam, were observed.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Growth of pseudomorphic structures through organic epitaxy

The control of molecular orientation in thin solid film phases of organic semiconductors is a basic factor for the exploitation of their physical properties for optoelectronic devices. We compare structural and optical properties of thin films of the organic semiconductor {alpha}-quarterthiophene grown by molecular beam epitaxy on different organic substrates. We show how epitactic interactions, characteristic of the surface of organic crystals, can drive the orientation of the crystalline overlayer and the selection of specific polymorphs and new pseudomorphic phases. We identify a key role in this phenomenon played by the marked groove-like corrugations present in some organic crystal surfaces. Since different polymorphs possess rather different performance in terms of, e.g., charge carrier mobility, this strategy is demonstrated to allow for the growth of oriented phases with enhanced physical properties, while keeping the substrate at room temperature. These results provide useful guidelines for the design of technological substrates for organic epitaxy and they substantiate the adoption of an organic epitaxy approach for the fabrication of optoelectronic devices based on thin films of organic semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Improving dielectric properties of epitaxial Gd{sub 2}O{sub 3} thin films on silicon by nitrogen doping

We report about the effect of nitrogen doping on the electrical properties of epitaxial Gd{sub 2}O{sub 3} thin films. Epitaxial Gd{sub 2}O{sub 3}:N thin films were grown on Si (111) substrates by solid source molecular beam epitaxy using nitrous oxide as the nitridation agent. Substitutional nitrogen incorporation into the dielectric layer was confirmed by secondary ion mass spectroscopy and X-ray photoelectron spectroscopy analysis. Substantial reduction of the leakage current density and disappearance of hysteresis in capacitance-voltage characteristics observed in the Gd{sub 2}O{sub 3}:N layers indicate that nitrogen incorporation in Gd{sub 2}O{sub 3} effectively eliminates the adverse effects of the oxygen vacancy induced defects in the oxide layer.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Formation of epitaxial Co{sub 1-x}Ni{sub x}Si{sub 2} nanowires on thin-oxide-capped (001)Si

Epitaxial Co{sub 1-x}Ni{sub x}Si{sub 2} alloy nanowires have been grown on (001)Si substrates by a combination of reactive deposition epitaxy and oxide-mediated epitaxy. The thin native oxide layer can serve as a diffusion barrier to diminish the flux of metal atoms from the top of oxide layer to Si surface and promote the growth of nanowires. The elemental distributions of Ni and Co in nanowires were determined by energy dispersive spectroscopy in a transmission electron microscope. The factors that cause the distributions of Ni and Co in nanowires were discussed.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2013

Energy band alignment of atomic layer deposited HfO{sub 2} oxide film on epitaxial (100)Ge, (110)Ge, and (111)Ge layers

Crystallographically oriented epitaxial Ge layers were grown on (100), (110), and (111)A GaAs substrates by in situ growth process using two separate molecular beam epitaxy chambers. The band alignment properties of atomic layer hafnium oxide (HfO{sub 2}) film deposited on crystallographically oriented epitaxial Ge were investigated using x-ray photoelectron spectroscopy (XPS). Valence band offset, {Delta}E{sub v} values of HfO{sub 2} relative to (100)Ge, (110)Ge, and (111)Ge orientations were 2.8 eV, 2.28 eV, and 2.5 eV, respectively. Using XPS data, variation in valence band offset, {Delta}E{sub V}(100)Ge>{Delta}E{sub V}(111)Ge>{Delta}E{sub V}(110)Ge, was obtained related to Ge orientation. Also, the conduction band offset, {Delta}E{sub c} relation, {Delta}E{sub c}(110)Ge>{Delta}E{sub c}(111)Ge>{Delta}E{sub c}(100)Ge related to Ge orientations was obtained using the measured bandgap of HfO{sub 2} on each orientation and with the Ge bandgap of 0.67 eV. These band offset parameters for carrier confinement would offer an important guidance to design Ge-based p- and n-channel metal-oxide field-effect transistor for low-power application.

36 MATERIALS SCIENCE↗
DOE OSTI2013

An ultra-thin buffer layer for Ge epitaxial layers on Si

Using an Fe{sub 3}Si insertion layer, we study epitaxial growth of Ge layers on a Si substrate by a low-temperature molecular beam epitaxy technique. When we insert only a 10-nm-thick Fe{sub 3}Si layer in between Si and Ge, epitaxial Ge layers can be obtained on Si. The detailed structural characterizations reveal that a large lattice mismatch of {approx}4% is completely relaxed in the Fe{sub 3}Si layer. This means that the Fe{sub 3}Si layers can become ultra-thin buffer layers for Ge on Si. This method will give a way to realize a universal buffer layer for Ge, GaAs, and related devices on a Si platform.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Single domain Bi{sub 2}Se{sub 3} films grown on InP(111)A by molecular-beam epitaxy

We report the growth of single-domain epitaxial Bi{sub 2}Se{sub 3} films on InP(111)A substrate by molecular-beam epitaxy. Nucleation of Bi{sub 2}Se{sub 3} proceeds at steps, so the lattices of the substrate play the guiding role for a unidirectional crystalline film in the step-flow growth mode. There exists a strong chemical interaction between atoms at the heterointerface, so the growth does not follow the van der Waals epitaxy process. A mounded morphology of thick Bi{sub 2}Se{sub 3} epilayers suggests a growth kinetics dictated by the Ehrlich-Schwoebel barrier. The Schubnikov de Haas oscillations observed in magnetoresistance measurements are attributed to Landau quantization of the bulk states of electrons.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Two-step growth of high quality Bi{sub 2}Te{sub 3} thin films on Al{sub 2}O{sub 3} (0001) by molecular beam epitaxy

Large-area topological insulator Bi{sub 2}Te{sub 3} thin films were grown on Al{sub 2}O{sub 3} (0001) using a two-temperature step molecular beam epitaxy growth process. By depositing a low temperature nucleation layer to serve as a template for high temperature epitaxial film growth, a high quality terrace-step surface morphology with a significant reduction in three-dimensional defect structures was achieved. X-ray diffraction measurements indicate that high crystalline quality Bi{sub 2}Te{sub 3} layers were grown incoherently by van der Waals epitaxy using this technique. Angle resolved photoemission spectroscopy measurements verified the integrity of this growth method by confirming the presence of metallic surface states on cleaved two-step Bi{sub 2}Te{sub 3} samples.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Population dynamics in epitaxial Er{sub 2}O{sub 3} thin films grown on Si(111)

We grow single crystal erbium-oxide (Er{sub 2}O{sub 3}) epitaxially on a Si (111) substrate by using molecular beam epitaxy and investigate the population dynamics in Er{sup 3+} ions for the coherent manipulation of the population in Er{sub 2}O{sub 3}. Sharp and discrete Stark energy levels of the {sup 4}I{sub 13/2} manifold as small as 200 {mu}eV are observed with inhomogeneous broadening caused by the uniform crystal field of the epitaxial Er{sub 2}O{sub 3}. We also experimentally determine the time constant of the resonant population transfer between spatially distant Er{sup 3+}-ion sites, which is limited to the manipulation time of the population in the Er{sub 2}O{sub 3} crystals. Using selective excitation of the Stark level in the {sup 4}I{sub 13/2} manifold, we obtain the energy transfer times between spatially distant Er{sup 3+} ions, and they are about 2 {mu}s between sites whose crystallographic symmetry is different and 10 {mu}s between sites whose symmetry is the same.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Magnetic properties of Mn{sub 3}O{sub 4} film under compressive stress grown on MgAl{sub 2}O{sub 4} (001) by molecular beam epitaxy

High quality single-crystalline Mn{sub 3}O{sub 4} thin films were grown on MgAl{sub 2}O{sub 4} (001) substrates by plasma-assisted molecular beam epitaxy. It is found that the films are compressed in the (001) plane and elongated in the perpendicular direction via in-situ reflection high-energy electron diffraction and ex-situ X-ray diffraction, which is confirmed by frequency hardening of relevant Raman bands. Different from the bulk, the epitaxial film with a thickness of 65 nm shows more obvious magnetic anisotropy and higher magnetic phase transition temperatures (T{sub N} = 50 K, T{sub 1} = 40.5 K, and T{sub 2} = 36 K) than that of the bulk (T{sub N} = 42 K, T{sub 1} = 39 K, and T{sub 2} = 33 K). The variation of magnetic properties could be attributed to the changes of interplay among spin, orbital, and lattice degrees of freedom owing to the residual strain in the epitaxial film.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Self-organization during growth of ZrN/SiN{sub x} multilayers by epitaxial lateral overgrowth

ZrN/SiN{sub x} nanoscale multilayers were deposited on ZrN seed layers grown on top of MgO(001) substrates by dc magnetron sputtering with a constant ZrN thickness of 40 Å and with an intended SiN{sub x} thickness of 2, 4, 6, 8, and 15 Å at a substrate temperature of 800 °C and 6 Å at 500 °C. The films were investigated by X-ray diffraction, high-resolution scanning transmission electron microscopy, and energy dispersive X-ray spectroscopy. The investigations show that the SiN{sub x} is amorphous and that the ZrN layers are crystalline. Growth of epitaxial cubic SiN{sub x}—known to take place on TiN(001)—on ZrN(001) is excluded to the monolayer resolution of this study. During the course of SiN{sub x} deposition, the material segregates to form surface precipitates in discontinuous layers for SiN{sub x} thicknesses ≤6 Å that coalesce into continuous layers for 8 and 15 Å thickness at 800 °C, and for 6 Å at 500 °C. The SiN{sub x} precipitates are aligned vertically. The ZrN layers in turn grow by epitaxial lateral overgrowth on the discontinuous SiN{sub x} in samples deposited at 800 °C with up to 6 Å thick SiN{sub x} layers. Effectively a self-organized nanostructure can be grown consisting of strings of 1–3 nm large SiN{sub x} precipitates along apparent column boundaries in the epitaxial ZrN.

36 MATERIALS SCIENCE↗