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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Role of polaron hopping in leakage current behavior of a SrTiO{sub 3} single crystal

We studied the ionic/electronic transport and resistance degradation behavior of dielectric oxides by solving the electrochemical transport equations. Here, we took into account the non-periodical boundary conditions for the transport equations using the Chebyshev collocation algorithm. A sandwiched Ni|SrTiO{sub 3}|Ni capacitor is considered as an example under the condition of 1.0 V, 1.0 μm thickness for SrTiO{sub 3} layer, and a temperature of 150 °C. The applied voltage resulted in the migration of ionic defects (oxygen vacancies) from anode towards cathode. The simulated electric potential profile at steady state is in good agreement with the recent experimental observation. We introduced the possibility of polaron-hopping between Ti{sup 3+} and Ti{sup 4+} at the electrode interface. It is shown that both the oxygen vacancy transport and the polaron-hopping contribute to the resistance degradation of single crystal SrTiO{sub 3}, which is consistent with the experimental observations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Effects of structure distortion on optical phonon properties of crystalline beta-BaTeMo{sub 2}O{sub 9}—A novel nonlinear optical material: Infrared and Raman spectra as well as first-principles calculations

The infrared dielectric property of monoclinic BaTeMo{sub 2}O{sub 9} single crystals is studied by polarized IR reflectance spectra from 20 to 1800 cm{sup −1}. Based on the modified Lorentz model, the frequencies, strengths, and dampings of TO modes as well as the orientations of the dipole momenta are determined, agreeing well with Raman spectra and results from First-principles calculation. The observed modes are visually assigned to the specific atoms' motions in the primitive cell based on the theory calculations. A large shift of the internal modes of the anion groups relative to free anion co-ordination polyhedra is observed, which can be used to indicate the distortions of co-ordination polyhedra related to the nonlinear optical properties. Further, the experimental results of the strengths of the oscillators support the elimination and splitting of degenerate modes in free regular polyhedrons. These results offer a way to evaluate the nonlinear optical properties by use of traditional IR reflectivity spectra.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Shape of isolated domains in lithium tantalate single crystals at elevated temperatures

The shape of isolated domains has been investigated in congruent lithium tantalate (CLT) single crystals at elevated temperatures and analyzed in terms of kinetic approach. The obtained temperature dependence of the growing domain shape in CLT including circular shape at temperatures above 190 °C has been attributed to increase of relative input of isotropic ionic conductivity. The observed nonstop wall motion and independent domain growth after merging in CLT as opposed to stoichiometric lithium tantalate have been attributed to difference in wall orientation. The computer simulation has confirmed applicability of the kinetic approach to the domain shape explanation.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Infrared optical properties of α-alumina with the approach to melting: γ-like tetrahedral structure and small polaron conduction

The normal spectral emittance of α-Al{sub 2}O{sub 3} single crystal has been measured from room temperature up to the liquid state and from 20 cm{sup −1} up to 10 000 cm{sup −1}, in two polarization configurations. The spectra were fitted with a semi-quantum dielectric function model. AlO{sub 4} structure units are revealed within the phonon spectral range more than a hundred degrees below the melting point when heating from the solid state. In parallel, the anomalous increase of emittance observed within the transparency spectral range with the approach to melting appears strongly correlated. Implications on the electronic structure are discussed: the existence of small polaron conduction is suggested which has never been mentioned before.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2013

On quantitative analysis of interband recombination dynamics: Theory and application to bulk ZnO

The issue of the quantitative analysis of time-resolved photoluminescence experiments is addressed by developing and describing two approaches for determination of unimolecular lifetime, bimolecular recombination coefficient, and equilibrium free-carrier concentration, based on a quite general second-order expression of the electron-hole recombination rate. Application to the case of band-edge emission of ZnO single crystals is reported, evidencing the signature of sub-nanosecond second-order recombination dynamics for optical transitions close to the interband excitation edge. The resulting findings are in good agreement with the model prediction and further confirm the presence, formerly evidenced in literature by non-optical methods, of near-surface conductive layers in ZnO crystals with sheet charge densities of about 3–5×10{sup 13} cm{sup −2}.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Neutron-transmuted carbon-14 in neutron-irradiated GaN: Compensation of DX-like center

The transmuted-C related luminescence and net carrier concentration are studied by combining photoluminescence, liquid scintillation, and Raman scattering. GaN single crystal films grown by metalorganic-vapor-phase epitaxy are irradiated with fast and thermal neutrons at fluxes of 3.9 × 10{sup 13} cm{sup −2}s{sup −1} and 8.15 × 10{sup 13} cm{sup −2}s{sup −1}, respectively. Irradiation time is 48 hours. The calculated {sup 72}Ge and {sup 14}C concentrations are 1.24 × 10{sup 18} cm{sup −3} and 1.13 × 10{sup 18} cm{sup −3}, respectively. The transmuted {sup 14}C is detected by the liquid scintillation method to survey β-rays emitted in the process of {sup 14}C decays from {sup 14}N. Tritium ({sup 3}H) is also emitted by a (n,t) reaction of {sup 14}N due to the neutron irradiation above 4.5 MeV. Photoluminescence relating to C, DX-like center of Ge and yellow luminescence band are observed in 1000 °C annealed NTD-GaN. The free electron concentration estimated from Raman scattering is 4.97 × 10{sup 17} cm{sup −3}. This value is lower than that from the transmuted Ge concentration, suggesting the compensation due to the transmuted {sup 14}C acceptors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Origins of low resistivity and Ge donor level in Ge ion-implanted ZnO bulk single crystals

The energy level of Ge in Ge-ion implanted ZnO single crystals is studied by Hall-effect and photoluminescence (PL) methods. The variations in resistivity from ∼10{sup 3} Ωcm for un-implanted samples to ∼10{sup −2} Ωcm for as-implanted ones are observed. The resistivity is further decreased to ∼10{sup −3} Ωcm by annealing. The origins of the low resistivity are attributed to both the zinc interstitial (Zn{sub i}) related defects and the electrical activated Ge donor. An activation energy of Ge donors estimated from the temperature dependence of carrier concentration is 102 meV. In PL studies, the new peak at 372 nm (3.33 eV) related to the Ge donor is observed in 1000 °C annealed samples.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Carriers mobility of InAs- and InP- rich InAs-InP solid solutions irradiated by fast neutrons

We have studied the low temperature charge carriers mobility in bulk single crystals of InAs- and InP- rich InAs-InP solid solutions irradiated with maximum integral flux 2⋅10{sup 18} n/cm{sup 2} of fast neutrons. Influence of minor component small addition in InAs-InP solid solutions has been revealed. There are also presented data of radiation defects thermal stability.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Identifying the distinct phases of THz waves from K-valley electrons in graphite

The polarity change of THz electromagnetic waves radiated from single-crystalline graphite and polycrystalline graphite films has been studied to identify the main generation mechanism in conventional reflective THz time-domain spectroscopy scheme. The excitation wavelength variation around the K-valley produces no significant changes in THz field strength. We further found that THz waves become fully dispersed without polarity change in lateral detection geometry.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Nucleation and growth dynamics of MBE-grown topological insulator Bi{sub 2}Te{sub 3} films on Si (111)

Topological insulator Bi{sub 2}Te{sub 3} films have been grown by molecular beam epitaxy on Si (111) substrates. The structural properties of the ultra-thin films and their evolution in morphology during the growth have been investigated. The growth starts by a nucleation of separate islands and subsequently turns into a layer-by-layer growth mode. Despite this, the grown film is found to be single crystalline and fully relaxed from the first atomic layer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Investigation of structural and electrical properties of flat a-Si/c-Si heterostructure fabricated by EBPVD technique

Flat amorphous silicon - crystal silicon (a-Si/c-Si) heterostructure were prepared by ultra-high vacuum electron beam evaporation technique on p-Si (111) and n-Si (100) single crystal substrates. Structural analyses were investigated by XRD, Raman and FEG-SEM analysis. With these analyses we determined that at the least amorphous structure shows modification but amorphous structure just protected. The electrical and photovoltaic properties of flat a-Si/c-Si heterojunction devices were investigated with current-voltage characteristics under dark and illumination conditions. Electrical properties of flat a-Si/c-Si heterorojunction; such as barrier height Φ{sub B}, diode ideality factor η were determined from current-voltage characteristics in dark conditions. These a-Si/c-Si heterostructure have good rectification behavior as a diode and exhibit high photovoltaic sensitivity.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Precipitation method for barium metaborate (BaB{sub 2}O{sub 4}) synthesis from borax solution

In this study, barium metaborate (BaB{sub 2}O{sub 4}, BMB) synthesis from the borax solution was carried out. BMB currently is used in production of ceramic glazes, luminophors, oxide cathodes as well as additives to pigments for aqueous emulsion paints and also β−BaB{sub 2}O{sub 4} single crystals are the best candidate for fabrication of solid-state UV lasers operating at a wavelength of 200 nm due to excellent nonlinear optical properties. In the present study, synthesis was carried out from the borax solution (Na{sub 2}B{sub 4}O{sub 7⋅}10H{sub 2}O, BDH) and barium chloride (BaCI{sub 2⋅}2H{sub 2}O, Ba) in the glass-batch reactor with stirring. The effect of, times (5-15 min), molar ratio [stoich.ration (1.0:2.0), 1.25:2.0, 1.5:2.0, 2.5:2:0, 3.0:2.0, 3.5:2.0,4.0:2.0, 5.0:2.0] and also crystallization time (2-6 hour) on the BMB yield (%) was investigated at 80 °C reaction temperature. It is found that, BMB precipitation synthesis with 90 % yield can be performed from 0.50 molar ration (BDH:Ba), under 80 °C, 15 minute, and 6 hours crystallization time. The structural properties of BMB powders were characterized by using XRD, FT-IR and DTA-TG instrumental analysis technique.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

A 350 mK, 9 T scanning tunneling microscope for the study of superconducting thin films on insulating substrates and single crystals

We report the construction and performance of a low temperature, high field scanning tunneling microscope (STM) operating down to 350 mK and in magnetic fields up to 9 T, with thin film deposition and in situ single crystal cleaving capabilities. The main focus lies on the simple design of STM head and a sample holder design that allows us to get spectroscopic data on superconducting thin films grown in situ on insulating substrates. Other design details on sample transport, sample preparation chamber, and vibration isolation schemes are also described. We demonstrate the capability of our instrument through the atomic resolution imaging and spectroscopy on NbSe{sub 2} single crystal and spectroscopic maps obtained on homogeneously disordered NbN thin film.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Kinetics of linear domains in LiNbO{sub 3} single crystals polarized by scanning probe microscopy

Growth and decay processes of linear domains in lithium niobate single crystals fabricated utilizing scanning probe microscopy were investigated. It is found that the initial configuration of linear domains is dependent on the fabrication parameters as scan velocity and voltage. The linear domains decay at the part where the domain width is small for two different processes. A comparison of critical stable domain size between dot and linear domains was carried out. The critical linear domain width is 0.7 times as large as the critical diameter of dot domain at the same sample thickness due to their smaller surface energy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Ultrahigh strain-rate bending of copper nanopillars with laser-generated shock waves

An experimental study to bend FIB-prepared cantilevered single crystal Cu nanopillars of several hundred nanometers in diameter and length at ultrahigh strain rate is presented. The deformation is induced by laser-generated stress waves, resulting in local strain rates exceeding 10{sup 7} s{sup −1}. Loading of nano-scale Cu structures at these extremely short loading times shows unique deformation characteristics. At a nominal stress value of 297 MPa, TEM examination along with selected area electron diffraction characterization revealed that twins within the unshocked Cu pillars interacted with dislocations that nucleated from free surfaces of the pillars to form new subgrain boundaries. MD simulation results were found to be consistent with the very low values of the stress required for dislocation activation and nucleation because of the extremely high surface area to volume ratio of the nanopillars. Specifically, simulations show that the stress required to nucleate dislocations at these ultrahigh strain rates is about one order of magnitude smaller than typical values required for homogeneous nucleation of dislocation loops in bulk copper single crystals under quasi-static conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Evidence for graphite-like hexagonal AlN nanosheets epitaxially grown on single crystal Ag(111)

Ultrathin (sub-monolayer to 12 monolayers) AlN nanosheets are grown epitaxially by plasma assisted molecular beam epitaxy on Ag(111) single crystals. Electron diffraction and scanning tunneling microscopy provide evidence that AlN on Ag adopts a graphite-like hexagonal structure with a larger lattice constant compared to bulk-like wurtzite AlN. This claim is further supported by ultraviolet photoelectron spectroscopy indicating a reduced energy bandgap as expected for hexagonal AlN.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Challenges and opportunities of ZnO-related single crystalline heterostructures

Recent technological advancement in ZnO heterostructures has expanded the possibility of device functionalities to various kinds of applications. In order to extract novel device functionalities in the heterostructures, one needs to fabricate high quality films and interfaces with minimal impurities, defects, and disorder. With employing molecular-beam epitaxy and single crystal ZnO substrates, the density of residual impurities and defects can be drastically reduced and the optical and electrical properties have been dramatically improved for the ZnO films and heterostructures with Mg{sub x}Zn{sub 1-x}O. Here, we overview such recent technological advancement from various aspects of application. Towards optoelectronic devices such as a light emitter and a photodetector in an ultraviolet region, the development of p-type ZnO and the fabrication of excellent Schottky contact, respectively, have been subjected to intensive studies for years. For the former, the fine tuning of the growth conditions to make Mg{sub x}Zn{sub 1-x}O as intrinsic as possible has opened the possibilities of making p-type Mg{sub x}Zn{sub 1-x}O through NH{sub 3} doping method. For the latter, conducting and transparent polymer films spin-coated on Mg{sub x}Zn{sub 1-x}O was shown to give almost ideal Schottky junctions. The wavelength-selective detection can be realized with varying the Mg content. From the viewpoint of electronic devices, two-dimensional electrons confined at the Mg{sub x}Zn{sub 1-x}O/ZnO interfaces are promising candidate for quantum devices because of high electron mobility and strong electron-electron correlation effect. These wonderful features and tremendous opportunities in ZnO-based heterostructures make this system unique and promising in oxide electronics and will lead to new quantum functionalities in optoelectronic devices and electronic applications with lower energy consumption and high performance.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Deactivation of metastable single-crystal silicon hyperdoped with sulfur

Silicon supersaturated with sulfur by ion implantation and pulsed laser melting exhibits broadband optical absorption of photons with energies less than silicon's band gap. However, this metastable, hyperdoped material loses its ability to absorb sub-band gap light after subsequent thermal treatment. We explore this deactivation process through optical absorption and electronic transport measurements of sulfur-hyperdoped silicon subject to anneals at a range of durations and temperatures. The deactivation process is well described by the Johnson-Mehl-Avrami-Kolmogorov framework for the diffusion-mediated transformation of a metastable supersaturated solid solution, and we find that this transformation is characterized by an apparent activation energy of E{sub A}=1.7 ± 0.1 eV. Using this activation energy, the evolution of the optical and electronic properties for all anneal duration-temperature combinations collapse onto distinct curves as a function of the extent of reaction. We provide a mechanistic interpretation of this deactivation based on short-range thermally activated atomic movements of the dopants to form sulfur complexes.

36 MATERIALS SCIENCE↗