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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Structural and thermodynamic properties of Fe{sub 1.12}Te with multiple phase transitions

The parent compound of iron chalcogenide superconductors, Fe{sub 1+y}Te, with a range of excess Fe concentrations exhibits intriguing structural and magnetic properties. Here, the interplay of magnetic and structural properties of Fe{sub 1.12}Te single crystals have been probed by low-temperature synchrotron X-ray powder diffraction, magnetization, and specific heat measurements. Thermodynamic measurements reveal two distinct phase transitions, considered unique to samples possessing excess Fe content in the range of 0.11≤y≤0.13. On cooling, an antiferromagnetic transition, T{sub N}≈57 K is observed. A closer examination of powder diffraction data suggests that the transition at T{sub N} is not purely magnetic, but accompanied by the commencement of a structural phase transition from tetragonal to orthorhombic symmetry. This is followed by a second prominent first-order structural transition at T{sub S} with T{sub S}<T{sub N}, where an onset of monoclinic distortion is observed. The results point to a strong magneto-structural coupling in this material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Electronic transitions and dielectric functions of relaxor ferroelectric Pb(In{sub 1∕2}Nb{sub 1∕2})O{sub 3}-Pb(Mg{sub 1∕3}Nb{sub 2∕3})O{sub 3}-PbTiO{sub 3} single crystals: Temperature dependent spectroscopic study

Optical properties and phase transitions of Pb(In{sub 1∕2}Nb{sub 1∕2})O{sub 3}-Pb(Mg{sub 1∕3}Nb{sub 2∕3})O{sub 3}-PbTiO{sub 3} (PIN-PMN-PT) crystals near morphotropic phase boundary (MPB) have been investigated by temperature dependent transmittance and reflectance spectra. Three critical point energies E{sub g} = 3.17–3.18 eV, E{sub a} = 3.41–3.61 eV, and E{sub b} = 4.74–4.81 eV can be assigned to the transitions from oxygen 2p to titanium d, niobium d, and lead 6p states, respectively. They show narrowing trends with increasing temperature, which can be caused by thermal expansion of the lattice and electron-phonon interaction. Deviation from the linear behaviors can be observed from E{sub a} and E{sub b} versus PT concentration, indicating a complex multiphase structure near MPB region.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Magnetic properties and hyperfine interactions in Cr{sub 8}, Cr{sub 7}Cd, and Cr{sub 7}Ni molecular rings from {sup 19}F-NMR

A detailed experimental investigation of the {sup 19}F nuclear magnetic resonance is made on single crystals of the homometallic Cr{sub 8} antiferromagnetic molecular ring and heterometallic Cr{sub 7}Cd and Cr{sub 7}Ni rings in the low temperature ground state. Since the F{sup −} ion is located midway between neighboring magnetic metal ions in the ring, the {sup 19}F-NMR spectra yield information about the local electronic spin density and {sup 19}F hyperfine interactions. In Cr{sub 8}, where the ground state is a singlet with total spin S{sub T} = 0, the {sup 19}F-NMR spectra at 1.7 K and low external magnetic field display a single narrow line, while when the magnetic field is increased towards the first level crossing field, satellite lines appear in the {sup 19}F-NMR spectrum, indicating a progressive increase in the Boltzmann population of the first excited state S{sub T} = 1. In the heterometallic rings, Cr{sub 7}Cd and Cr{sub 7}Ni, whose ground state is magnetic with S{sub T} = 3/2 and S{sub T} = 1/2, respectively, the {sup 19}F-NMR spectrum has a complicated structure which depends on the strength and orientation of the magnetic field, due to both isotropic and anisotropic transferred hyperfine interactions and classical dipolar interactions. From the {sup 19}F-NMR spectra in single crystals we estimated the transferred hyperfine constants for both the F{sup −}-Ni{sup 2+} and the F{sup −}-Cd{sup 2+} bonds. The values of the hyperfine constants compare well to the ones known for F{sup −}-Ni{sup 2+} in KNiF{sub 3} and NiF{sub 2} and for F{sup −}-Cr{sup 3+} in K{sub 2}NaCrF{sub 6}. The results are discussed in terms of hybridization of the 2s, 2p orbitals of the F{sup −} ion and the d orbitals of the magnetic ion. Finally, we discuss the implications of our results for the electron-spin decoherence.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Improvement of electroluminescence performance by integration of ZnO nanowires and single-crystalline films on ZnO/GaN heterojunction

Heterojunction light-emitting diodes based on n-ZnO nanowires/ZnO single-crystalline films/p-GaN structure have been demonstrated for an improved electroluminescence performance. A highly efficient ultraviolet emission was observed under forward bias. Compared with conventional n-ZnO/p-GaN structure, high internal quantum efficiency and light extraction efficiency were simultaneously considered in the proposed diode. In addition, the diode can work continuously for ∼10 h with only a slight degradation in harsh environments, indicating its good reliability and application prospect in the future. This route opens possibilities for the development of advanced nanoscale devices in which the advantages of ZnO single-crystalline films and nanostructures can be integrated together.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Natural nanostructure and superlattice nanodomains in AgSbTe{sub 2}

AgSbTe{sub 2} has long been of interest for thermoelectric applications because of its favorable electronic properties and its low lattice thermal conductivity of ∼0.7 W/mK. In this work, we report new findings from a high-resolution transmission electron microscopy study revealing two nanostructures in single crystal Ag{sub 1−x}Sb{sub 1+x}Sb{sub 2+x} (with x = 0, 0.1, 0.2); (i) a rippled natural nanostructure with a period of ∼2.5–5 nm and (ii) superlattice ordered nanodomains consistent with cation ordering predicted in previous density functional theory studies. These nanostructures, combined with point-defects, probably serve as sources of scattering for phonons, thereby yielding a low lattice thermal conductivity over a wide temperature range.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Growth and magnetic property of antiperovskite manganese nitride films doped with Cu by molecular beam epitaxy

Manganese nitrides thin films on MgO (100) substrates with and without Cu-doping have been fabricated by plasma assisted molecular beam epitaxy. Antiperovskite compounds Mn{sub 3.6}Cu{sub 0.4}N have been grown in the case of Cu-doping, and the pure Mn{sub 3}N{sub 2} single crystal has been obtained without Cu-doping. The Mn{sub 3.6}Cu{sub 0.4}N exhibits ferrimagnetism, and the magnetization of Mn{sub 3.6}Cu{sub 0.4}N increases upon the temperature decreasing from 300 K to 5 K, similar to Mn{sub 4}N. The exchange bias (EB) effects emerge in the Mn{sub 3.6}Cu{sub 0.4}N films. The EB behavior is originated from the interfaces between ferrimagnetic Mn{sub 3.6}Cu{sub 0.4}N and antiferromagnetic metal Mn, which is verified to be formed by the data of x-ray photoelectron spectroscopy. The present results not only provide a strategy for producing functional antiperovskite manganese nitrides, but also shed promising light on fabricating the exchange bias part of spintronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Single crystal diamond detector measurements of deuterium-deuterium and deuterium-tritium neutrons in Joint European Torus fusion plasmas

First simultaneous measurements of deuterium-deuterium (DD) and deuterium-tritium neutrons from deuterium plasmas using a Single crystal Diamond Detector are presented in this paper. The measurements were performed at JET with a dedicated electronic chain that combined high count rate capabilities and high energy resolution. The deposited energy spectrum from DD neutrons was successfully reproduced by means of Monte Carlo calculations of the detector response function and simulations of neutron emission from the plasma, including background contributions. The reported results are of relevance for the development of compact neutron detectors with spectroscopy capabilities for installation in camera systems of present and future high power fusion experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

High quality single crystal Ge nano-membranes for opto-electronic integrated circuitry

A thin, flat, and single crystal germanium membrane would be an ideal platform on which to mount sensors or integrate photonic and electronic devices, using standard silicon processing technology. We present a fabrication technique compatible with integrated-circuit wafer scale processing to produce membranes of thickness between 60 nm and 800 nm, with large areas of up to 3.5 mm{sup 2}. We show how the optical properties change with thickness, including appearance of Fabry-Pérot type interference in thin membranes. The membranes have low Q-factors, which allow the platforms to counteract distortion during agitation and movement. Finally, we report on the physical characteristics showing sub-nm roughness and a homogenous strain profile throughout the freestanding layer, making the single crystal Ge membrane an excellent platform for further epitaxial growth or deposition of materials.

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

A robust and well shielded thermal conductivity device for low temperature measurements

We present a compact mechanically robust thermal conductivity measurement apparatus for measurements at low temperatures (<1 K) and high magnetic fields on small high-purity single crystal samples. A high-conductivity copper box is used to enclose the sample and all the components. The box provides protection for the thermometers, heater, and most importantly the sample increasing the portability of the mount. In addition to physical protection, the copper box is also effective at shielding radio frequency electromagnetic interference and thermal radiation, which is essential for low temperature measurements. A printed circuit board in conjunction with a braided ribbon cable is used to organize the delicate wiring and provide mechanical robustness.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Continuous cross-over from ferroelectric to relaxor state and piezoelectric properties of BaTiO{sub 3}-BaZrO{sub 3}-CaTiO{sub 3} single crystals

Optimal properties like piezoelectricity can be found in polarizable materials for which the structure changes sharply under small composition variations in the vicinity of their morphotropic phase boundary or the triple point in their isobaric temperature-composition phase diagram. In the latter, lead-free (Ba{sub 0.850}Ca{sub 0.150})(Ti{sub 0.900}Zr{sub 0.100})O{sub 3} ceramics exhibit outstanding piezoelectric coefficients. For the first time, we report the growth of piezoelectric lead-free single crystals in the BaTiO{sub 3}-BaZrO{sub 3}-CaTiO{sub 3} pseudo-ternary system. The stoichiometry control in the CaO-BaO-TiO{sub 2}-ZrO{sub 2} solid solution led to single crystals with various compositions ranging from (Ba{sub 0.857}Ca{sub 0.143})(Ti{sub 0.928}Zr{sub 0.072})O{sub 3} to (Ba{sub 0.953}Ca{sub 0.047})(Ti{sub 0.427}Zr{sub 0.573})O{sub 3}. We evidenced a continuous cross-over from a ferroelectric state at high titanium content to a relaxor one on increasing the zirconium content. Such a property tuning is rather seldom observed in lead-free ferroelectrics and confirms what was already reported for ceramics. Single crystal with (Ba{sub 0.838}Ca{sub 0.162})(Ti{sub 0.854}Zr{sub 0.146})O{sub 3} composition, which has been grown and oriented along [001] crystallographic direction, displayed electromechanical coefficients d{sub 31} and k{sub 31} of 93 pC.N{sup −1} and 0.18, respectively, near the room temperature (T = 305 K)

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Note: Application of a pixel-array area detector to simultaneous single crystal x-ray diffraction and x-ray absorption spectroscopy measurements

X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS) are two main x-ray techniques in synchrotron radiation facilities. In this Note, we present an experimental setup capable of performing simultaneous XRD and XAS measurements by the application of a pixel-array area detector. For XRD, the momentum transfer in specular diffraction was measured by scanning the X-ray energy with fixed incoming and outgoing x-ray angles. By selecting a small fixed region of the detector to collect the XRD signal, the rest of the area was available for collecting the x-ray fluorescence for XAS measurements. The simultaneous measurement of XRD and X-ray absorption near edge structure for Pr{sub 0.67}Sr{sub 0.33}MnO{sub 3} film was demonstrated as a proof of principle for future time-resolved pump-probe measurements. A static sample makes it easy to maintain an accurate overlap of the X-ray spot and laser pump beam.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Anisotropic orbital occupation and Jahn-Teller distortion of orthorhombic YMnO{sub 3} epitaxial films: A combined experimental and theoretical study on polarization-dependent x-ray absorption spectroscopy

The b-axis oriented orthorhombic YMnO{sub 3} (o-YMnO{sub 3}) epitaxial films on a YAlO{sub 3} (010) substrate were fabricated with pulsed-laser deposition. The anisotropic orbital occupation and Jahn-Teller (JT) distortion of an o-YMnO{sub 3} film were investigated with polarization-dependent x-ray absorption spectra and configuration-interaction multiplet-cluster calculations. A significant energy difference, ∼3.8 eV, for the main white line along E//b and E//a in polarization-dependent Mn K-edge spectra of o-YMnO{sub 3} indicates an extraordinary JT distortion and significant anisotropic Mn–O bonding within the ab plane in the o-YMnO{sub 3} film. Most importantly, although the orbital occupation of 3d electrons in o-YMnO{sub 3} films is almost the same as that in single crystalline o-DyMnO{sub 3}, the JT distortion of o-YMnO{sub 3} films is larger than that of single crystalline o-DyMnO{sub 3}, deduced from the multiplet calculations. We speculate that this JT distortion predominantly contributes to the origin of the cycloidal spin deformation in bulk o-YMnO{sub 3}, because of a suppressed nearest-neighbor superexchange interaction and an enhanced next-nearest-neighbor superexchange interaction. These complementary results provide insight into the origin of the E-type magnetic configuration of o-YMnO{sub 3}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Modulation of physical and photocatalytic properties of (Cr, N) codoped TiO{sub 2} nanorods using soft solution processing

Facile polymerized complex reactions together with a hydrothermal reaction were implemented to make single crystalline TiO{sub 2} nanorods for the first time. Chromium (Cr) and nitrogen (N{sub 2}) co-doping was performed to tailor the physical properties. Transmission electron microscopy and x-ray diffraction study illustrated that highly reactive facets of (101), (111), and (001) dominated rutile TiO{sub 2} nanorods. A growth model, based on formation of complex species, was proposed to elucidate effectiveness of the soft solution processing in making TiO{sub 2} nanorods. X-ray photoelectron spectroscopy analysis and consideration of fundamentals of charge neutrality showed N{sub 2} doping could inhibit formation of Cr{sup 6+} and oxygen vacancies (V{sub O}{sup 2+}). An investigation of the photocatalytic properties exhibited high efficiency of photodegradation of methylene blue in 15 min under pH = 10, using a nanocomposite of (7% Cr, 0.0021% N) codoped and 3% Cr doped TiO{sub 2} nanorods.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Effects of sodium on electrical properties in Cu{sub 2}ZnSnS{sub 4} single crystal

We have studied the effect of sodium on the electrical properties of Cu{sub 2}ZnSnS{sub 4} (CZTS) single crystal by using temperature dependence of Hall effect measurement. The sodium substitution on the cation site in CZTS is observed from the increasing of unit-cell size by powder X-ray diffraction. Sodium increases the effective hole concentration and makes the thermal activation energy smaller. The degree of compensation decreases with sodium incorporation, thus the hole mobility is enhanced. We revealed that sodium is important dopant in CZTS to control the electrical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Photonic nano-structures on (111)-oriented diamond

We demonstrate the fabrication of single-crystalline diamond nanopillars on a (111)-oriented chemical vapor deposited diamond substrate. This crystal orientation offers optimal coupling of nitrogen-vacancy (NV) center emission to the nanopillar mode and is thus advantageous over previous approaches. We characterize single native NV centers in these nanopillars and find one of the highest reported saturated fluorescence count rates in single crystalline diamond in excess of 10{sup 6} counts per second. We show that our nano-fabrication procedure conserves the preferential alignment as well as the spin coherence of the NVs in our structures. Our results will enable a new generation of highly sensitive probes for NV magnetometry and pave the way toward photonic crystals with optimal orientation of the NV center's emission dipole.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Hydride vapor phase epitaxy and characterization of high-quality ScN epilayers

The heteroepitaxial growth of ScN films was investigated on various substrates by hydride vapor phase epitaxy (HVPE). Single crystalline mirror-like ScN(100) and ScN(110) layers were successfully deposited on r- and m-plane sapphire substrates, respectively. Homogeneous stoichiometric films (N/Sc ratio 1.01 ± 0.10) up to 40 μm in thickness were deposited. Their mosaicity drastically improved with increasing the film thickness. The band gap was determined by optical methods to be 2.06 eV. Impurity concentrations including H, C, O, Si, and Cl were investigated through energy dispersive X-ray spectrometry and secondary ion mass spectrometry. As a result, it was found that the presence of impurities was efficiently suppressed in comparison with that of HVPE-grown ScN films reported in the past, which was possible thanks to the home-designed corrosion-free HVPE reactor. Room-temperature Hall measurements indicated that the residual free electron concentrations ranged between 10{sup 18}–10{sup 20} cm{sup −3}, which was markedly lower than the reported values. The carrier mobility increased monotonically with the decreasing in carrier concentration, achieving the largest value ever reported, 284 cm{sup 2} V{sup −1} s{sup −1} at n = 3.7 × 10{sup 18} cm{sup −3}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗