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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

In situ control of As dimer orientation on Ge(100) surfaces

We investigated the preparation of single domain Ge(100):As surfaces in a metal-organic vapor phase epitaxy reactor. In situ reflection anisotropy spectra (RAS) of vicinal substrates change when arsenic is supplied either by tertiarybutylarsine or by background As{sub 4} during annealing. Low energy electron diffraction shows mutually perpendicular orientations of dimers, scanning tunneling microscopy reveals distinct differences in the step structure, and x-ray photoelectron spectroscopy confirms differences in the As coverage of the Ge(100):As samples. Their RAS signals consist of contributions related to As dimer orientation and to step structure, enabling precise in situ control over preparation of single domain Ge(100):As surfaces.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Orientation-dependent piezoelectric properties in lead-free epitaxial 0.5BaZr{sub 0.2}Ti{sub 0.8}O{sub 3}-0.5Ba{sub 0.7}Ca{sub 0.3}TiO{sub 3} thin films

Orientation-engineered 0.5BaZr{sub 0.2}Ti{sub 0.8}O{sub 3}-0.5Ba{sub 0.7}Ca{sub 0.3}TiO{sub 3} (BZT-BCT) thin films were deposited on La{sub 0.7}Sr{sub 0.3}MnO{sub 3}-coated SrTiO{sub 3} single-crystalline (001), (110), and (111) substrates by off-axis radio-frequency magnetron sputtering. X-ray diffraction confirmed a highly epitaxial growth of all the as-deposited films. It is believed the strong orientation dependence of ferroelectric and piezoelectric properties on the films is attributed to the relative alignment of crystallites and spontaneous polarization vector. The optimal ferroelectric response lies in the [001] direction, whereas a comparatively large effective piezoelectric coefficient d{sub 33,eff} of 100.1 ± 5 pm/V was attained in [111] BZT-BCT thin film, suggesting its potential application for high-performance lead-free piezoelectric devices.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Determination of crystal grain orientations by optical microscopy at textured surfaces

In this contribution, a new method to determine the crystal orientation with the example of chemical treated silicon wafers by means of optical microscopy has been demonstrated. The introduced procedure represents an easy method to obtain all relevant parameters to describe the crystal structure of the investigated material, i.e., the crystal grain orientation and the grain boundary character. The chemical treatment is a standard mono-texture for solar cells, well known in the solar industry. In general, this concept can also be applied to other crystalline materials, i.e., GaAs, SiC, etc., the only thing that needs to be adjusted is the texturing method to reveal specific crystal planes and the calculation model. In conclusion, an application of this method is shown with the example of the defect classification of recombination active defects in mc-Si solar cell. The introduced method demonstrates a simple and quick opportunity to improve the crystallization process and the quality of electronic devices by means of an optical microscope and a chemical treatment of the material.

14 SOLAR ENERGY↗
DOE OSTI2013

Relationship between open-circuit voltage in Cu(In,Ga)Se{sub 2} solar cell and peak position of (220/204) preferred orientation near its absorber surface

Cu(In,Ga)Se{sub 2} (CIGS) absorbers with various Ga/III, Ga/(In+Ga), profiles are prepared by the so-called “multi-layer precursor method” using multi-layer co-evaporation of material sources. It is revealed that open-circuit voltage (V{sub OC}) of CIGS solar cell is primarily dependent on averaged Ga/III near the surface of its absorber. This averaged Ga/III is well predicted by peak position of (220/204) preferred orientation of CIGS film near its surface investigated by glancing-incidence X-ray diffraction with 0.1° incident angle. Finally, the peak position of (220/204) preferred orientation is proposed as a measure of V{sub OC} before solar cell fabrication.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Influence of c-axis orientation and scandium concentration on infrared active modes of magnetron sputtered Sc{sub x}Al{sub 1−x}N thin films

Doping of wurtzite aluminium nitride (AlN) with scandium (Sc) significantly enhances the piezoelectric properties of AlN. Sc{sub x}Al{sub 1−x}N thin films with different Sc concentrations (x = 0 to 0.15) were deposited by DC reactive magnetron sputtering. Infrared (IR) absorbance spectroscopy was applied to investigate the Sc concentration dependent shift of the IR active modes E{sub 1}(TO) and A{sub 1}(TO). These results are compared to ab initio simulations, being in excellent agreement with the experimental findings. In addition, IR spectroscopy is established as an economical and fast method to distinguish between thin films with a high degree of c-axis orientation and those exhibiting mixed orientations.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Orientation-controlled nonepitaxial L1{sub 0} FePt thin films

We report an orientation-controlled FePt thin films grown nonexpitaxially on oxidized Si substrates without using any underlayers. After 700 °C annealing, the FePt single layer with thickness less than 10 nm shows good (001) texture and perpendicular anisotropy. The scanning electron microscope images indicate that these films are composed of isolated islands. For the films thicker than 20 nm, the films become continuous and (111) orientation appears. The transition of film texture relates to the change of morphology of the films. Finally, a theoretical mode based on minimizing surface energy is proposed to explain the texture variation in the films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Fabrication of polycrystalline Cu{sub 2}ZnSnSe{sub 4} layers with strongly preferential grain orientation via selenization of Sn/Cu/ZnSe(001)/GaAs(001) structures

We report on a simple approach for the fabrication of polycrystalline Cu{sub 2}ZnSnSe{sub 4} films on GaAs with strongly preferential grain orientation. Such layers are important for both fundamental spectroscopic investigations as well as studies of the impact of grain boundaries on the performance of solar cells. Cu{sub 2}ZnSnSe{sub 4} (CZTSe) layers were fabricated by growing a Sn/Cu/ZnSe(001) stack on a GaAs(001) substrate in a molecular-beam epitaxy system followed by selenization in a tube furnace. Raman spectroscopy as well as X-ray diffraction measurements combined with a microstructural investigation indicate the presence of the kesterite phase. Further, X-ray analysis such as rocking curves and ϕ-scans proves a preferential grain orientation of the obtained CZTSe films in all three dimensions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Crystal orientation dependence of current-perpendicular-to-plane giant magnetoresistance of pseudo spin-valves with epitaxial Co{sub 2}Fe(Ge{sub 0.5}Ga{sub 0.5}) Heusler alloy layers

The magnetoresistive (MR) properties of Co{sub 2}Fe(Ge{sub 0.5}Ga{sub 0.5}) (CFGG) Heusler alloy-based current-perpendicular-to-plane giant magnetoresistance pseudo-spin-valves (PSVs) are investigated. The PSV films are epitaxially grown on a sapphire (112{sup ¯}0) substrate with an Ag or Cu spacer layer, and their magnetoresistive properties are compared with those of PSV grown on MgO(001) substrates. For substrates with an Ag spacer, the PSV with the (001)[110]{sub CFGG}//(001)[010]{sub Ag} interface grown on MgO(001) exhibits a higher MR output compared with the (110)[001]{sub CFGG}//(111)[11{sup ¯}0]{sub Ag} interface grown on sapphire (112{sup ¯}0). In contrast, a higher MR output is obtained using a Cu spacer with the (110)[001]{sub CFGG}//(111)[11{sup ¯}0]{sub Cu} interface. These results demonstrate that the MR outputs depend upon the crystal orientation at the interface, and that interfaces with a small misfit tend to exhibit a larger MR output. This indicates the influence of crystal orientation as well as lattice mismatch upon the interfacial spin scattering asymmetry.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Influence of substrate material, orientation, and surface termination on GaN nanowire growth

In this work, we investigate the fundamental role of the substrate material, surface orientation, and termination on GaN nanowire (NW) nucleation and growth. First of all, the use of a patterned a-Si/diamond substrate confirms that NW shape and dimension are mainly determined by the applied growth conditions instead of the nature of the substrate. More important is the surface orientation as it defines growth direction and epitaxial relationship towards the GaN NWs, where both (111) and (100) surfaces yield NW growth for equivalent growth conditions. (110) substrates are found to be not suited for NW growth. Finally, the surface termination of diamond is demonstrated to survive the employed growth conditions and, therefore, to affect the nucleation of nanowires and the electronic properties of the heterointerface by its surface dipoles. This difference in nucleation is exploited as an alternative approach for selective area growth without deposition of a foreign mask material, which might also be transferable to other substrates.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Recombination dynamics of excitons with low non-radiative component in semi-polar (10-11)-oriented GaN/AlGaN multiple quantum wells

Optical properties of GaN/Al{sub 0.2}Ga{sub 0.8}N multiple quantum wells grown with semi-polar (10-11) orientation on patterned 7°-off Si (001) substrates have been investigated. Studies performed at 8 K reveal the in-plane anisotropic behavior of the QW photoluminescence (PL) intensity for this semi-polar orientation. The time resolved PL measurements were carried out in the temperature range from 8 to 295 K to deduce the effective recombination decay times, with respective radiative and non-radiative contributions. The non-radiative component remains relatively weak with increasing temperature, indicative of high crystalline quality. The radiative decay time is a consequence of contribution from both localized and free excitons. We report an effective density of interfacial defects of 2.3 × 10{sup 12} cm{sup −2} and a radiative recombination time of τ{sub loc} = 355 ps for the localized excitons. This latter value is significantly larger than those reported for the non-polar structures, which we attribute to the presence of a weak residual electric field in the semi-polar QW layers.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Magnetic properties of epitaxial Fe{sub 3}O{sub 4} films with various crystal orientations and tunnel magnetoresistance effect at room temperature

Fe{sub 3}O{sub 4} is a ferrimagnetic spinel ferrite that exhibits electric conductivity at room temperature (RT). Although the material has been predicted to be a half metal according to ab-initio calculations, magnetic tunnel junctions (MTJs) with Fe{sub 3}O{sub 4} electrodes have demonstrated a small tunnel magnetoresistance (TMR) effect. Not even the sign of the tunnel magnetoresistance ratio has been experimentally established. Here, we report on the magnetic properties of epitaxial Fe{sub 3}O{sub 4} films with various crystal orientations. The films exhibited apparent crystal orientation dependence on hysteresis curves. In particular, Fe{sub 3}O{sub 4}(110) films exhibited in-plane uniaxial magnetic anisotropy. With respect to the squareness of hysteresis, Fe{sub 3}O{sub 4} (111) demonstrated the largest squareness. Furthermore, we fabricated MTJs with Fe{sub 3}O{sub 4}(110) electrodes and obtained a TMR effect of −12% at RT. The negative TMR ratio corresponded to the negative spin polarization of Fe{sub 3}O{sub 4} predicted from band calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Influence of crystallographic orientation on the response of copper crystallites to nanoindentation

Molecular dynamics simulation was performed to study the features of nucleation and development of plastic deformation in copper crystallites in nanoindentation with different crystallographic orientations of their loaded surface: (011), (001), and (111). Atomic interaction was described by a potential constructed in terms of the embedded atom method. It is shown that behavior of the crystallite reaction force correlates well with a change in the fraction of atoms involved in local structural rearrangements. The generation of local structural changes decreases the slope of the crystallite reaction force curve or results in an extremum due to internal stress relaxation. Analysis of structural changes in the material being indented demonstrates that the orientation of its loaded surface greatly affects the features of nucleation and development of plastic deformation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Instrument for in-situ orientation of superconducting thin-film resonators used for electron-spin resonance experiments

When used in electron-spin resonance measurements, superconducting thin-film resonators must be precisely oriented relative to the external magnetic field in order to prevent the trapping of magnetic flux and the associated degradation of resonator performance. We present a compact design solution for this problem that allows in-situ control of the orientation of the resonator at cryogenic temperatures. Tests of the apparatus show that when proper alignment is achieved, there is almost no hysteresis in the field dependence of the resonant frequency.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Growth orientation dependence of Si doping in GaAsN

The incorporation of Si in GaAsN alloys grown simultaneously on (100), (311)A, (311)B, and (211)B GaAs substrates by the chemical beam epitaxy has been investigated. The decrease in electron concentration with the increasing N composition suggests the occurrence of N and Si interaction, whereas the interaction exhibits evidently different extent depending on the growth orientation. Combined with the secondary ion mass spectrometry and photoluminescence measurements, it is revealed that (311)B and (211)B are the promising substrate orientations to reduce the N-Si passivation and improve n-type Si doping in GaAsN over a wider N composition range. A surface bonding model is utilized to explain the plane polarity dependent incorporation behaviors of Si and N.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Strain and lattice orientation distribution in SiN/Ge complementary metal–oxide–semiconductor compatible light emitting microstructures by quick x-ray nano-diffraction microscopy

This paper presents a study of the spatial distribution of strain and lattice orientation in CMOS-fabricated strained Ge microstripes using high resolution x-ray micro-diffraction. The recently developed model-free characterization tool, based on a quick scanning x-ray diffraction microscopy technique can image strain down to levels of 10{sup −5} (Δa/a) with a spatial resolution of ∼0.5 μm. Strain and lattice tilt are extracted using the strain and orientation calculation software package X-SOCS. The obtained results are compared with the biaxial strain distribution obtained by lattice parameter-sensitive μ-Raman and μ-photoluminescence measurements. The experimental data are interpreted with the help of finite element modeling of the strain relaxation dynamics in the investigated structures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

NMR diffusion-encoding with axial symmetry and variable anisotropy: Distinguishing between prolate and oblate microscopic diffusion tensors with unknown orientation distribution

We introduce a nuclear magnetic resonance method for quantifying the shape of axially symmetric microscopic diffusion tensors in terms of a new diffusion anisotropy metric, D{sub Δ}, which has unique values for oblate, spherical, and prolate tensor shapes. The pulse sequence includes a series of equal-amplitude magnetic field gradient pulse pairs, the directions of which are tailored to give an axially symmetric diffusion-encoding tensor b with variable anisotropy b{sub Δ}. Averaging of data acquired for a range of orientations of the symmetry axis of the tensor b renders the method insensitive to the orientation distribution function of the microscopic diffusion tensors. Proof-of-principle experiments are performed on water in polydomain lyotropic liquid crystals with geometries that give rise to microscopic diffusion tensors with oblate, spherical, and prolate shapes. The method could be useful for characterizing the geometry of fluid-filled compartments in porous solids, soft matter, and biological tissues.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Magnetism and electronic structure of (001)- and (111)-oriented LaTiO{sub 3} bilayers sandwiched in LaScO{sub 3} barriers

In this study, the magnetism and electronic structure of LaTiO{sub 3} bilayers along both the (001) and (111) orientations are calculated using the density functional theory. The band insulator LaScO{sub 3} is chosen as the barrier layer and substrate to obtain the isolating LaTiO{sub 3} bilayer. For both the (001)- and (111)-oriented cases, LaTiO{sub 3} demonstrates the G-type antiferromagnetism as the ground state, similar to the bulk material. However, the electronic structure is significantly changed. The occupied bands of Ti are much narrower in the (111) case, giving a nearly flat band. As a result, the exchange coupling between nearest-neighbor Ti ions is reformed in these superlattices, which will affect the Néel temperature significantly.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

A validation of the fibre orientation and fibre length attrition prediction for long fibre-reinforced thermoplastics

To improve the mechanical performance of polymeric parts, fibre reinforcement has established in industrial applications during the last decades. Next to the widely used Short Fibre-reinforced Thermoplastics (SFT) the use of Long Fibre-reinforced Thermoplastics (LFT) is increasingly growing. Especially for non-polar polymeric matrices like polypropylene (PP), longer fibres can significantly improve the mechanical performance. As with every kind of discontinuous fibre reinforcement the fibre orientations (FO) show a high impact on the mechanical properties. On the contrary to SFT where the local fibre length distribution (FLD) can be often neglected, for LFT the FLD show a high impact on the material’s properties and has to be taken into account in equal measure to the FOD. Recently numerical models are available in commercial filling simulation software and allow predicting both the local FOD and FLD in LFT parts. The aim of this paper is to compare i.) the FOD results and ii) the FLD results from available orientation- and fibre length attrition-models to those obtained from experimental data. The investigations are conducted by the use of different injection moulded specimens made from long glass fibre reinforced PP. In order to determine the FOD, selected part sections are examined by means of Computed Tomographic (CT) analyses. The fully three dimensional measurement of the FOD is then performed by digital image processing using grey scale correlation. The FLD results are also obtained by using digital image processing after a thermal pyrolytic separation of the polymeric matrix from the fibres. Further the FOD and the FLD are predicted by using a reduced strain closure (RSC) as well as an anisotropic rotary diffusion - reduced strain closure model (ARD-RSC) and Phelps-Tucker fibre length attrition model implemented in the commercial filling software Moldflow, Autodesk Inc., San Rafael, CA, USA.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗