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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Local structure of solid Rb at megabar pressures

We have investigated the local and electronic structure of solid rubidium by means of x-ray absorption spectroscopy up to 101.0 GPa, thus doubling the maximum investigated experimental pressure. This study confirms the predicted stability of phase VI and was completed by the combination of two pivotal instrumental solutions. On one side, we made use of nanocrystalline diamond anvils, which, contrary to the more commonly used single crystal diamond anvils, do not generate sharp Bragg peaks (glitches) at specific energies that spoil the weak fine structure oscillations in the x-ray absorption cross section. Second, we exploited the performance of a state-of-the-art x-ray focussing device yielding a beam spot size of 5 × 5 μm{sup 2}, spatially stable over the entire energy scan. An advanced data analysis protocol was implemented to extract the pressure dependence of the structural parameters in phase VI of solid Rb from 51.2 GPa up to the highest pressure. A continuous reduction of the nearest neighbour distances was observed, reaching about 6% over the probed pressure range. We also discuss a phenomenological model based on the Einstein approximation to describe the pressure behaviour of the mean-square relative displacement. Within this simplified scheme, we estimate the Grüneisen parameter for this high pressure Rb phase to be in the 1.3–1.5 interval.

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

Template-assisted selective epitaxy of III–V nanoscale devices for co-planar heterogeneous integration with Si

III–V nanoscale devices were monolithically integrated on silicon-on-insulator (SOI) substrates by template-assisted selective epitaxy (TASE) using metal organic chemical vapor deposition. Single crystal III–V (InAs, InGaAs, GaAs) nanostructures, such as nanowires, nanostructures containing constrictions, and cross junctions, as well as 3D stacked nanowires were directly obtained by epitaxial filling of lithographically defined oxide templates. The benefit of TASE is exemplified by the straightforward fabrication of nanoscale Hall structures as well as multiple gate field effect transistors (MuG-FETs) grown co-planar to the SOI layer. Hall measurements on InAs nanowire cross junctions revealed an electron mobility of 5400 cm{sup 2}/V s, while the alongside fabricated InAs MuG-FETs with ten 55 nm wide, 23 nm thick, and 390 nm long channels exhibit an on current of 660 μA/μm and a peak transconductance of 1.0 mS/μm at V{sub DS} = 0.5 V. These results demonstrate TASE as a promising fabrication approach for heterogeneous material integration on Si.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Size- and structure-dependence of thermal and mechanical behaviors of single-crystalline and polytypic superlattice ZnS nanowires

Molecular dynamics (MD) simulations are carried out to study the thermal and mechanical behaviors of single-crystalline wurtzite (WZ), zinc-blende (ZB), and polytypic superlattice ZnS nanowires containing alternating WZ and ZB regions with thicknesses between 1.85 nm and 29.62 nm under tensile loading. The wires analyzed have diameters between 1.77 nm and 5.05 nm. The Green-Kubo method is used to calculate the thermal conductivity of the wires at different deformed states. A non-equilibrium MD approach is used to analyze the thermal transport behavior at the interfaces between different structural regions in the superlattice nanowires (SLNWs). The Young's modulus and thermal conductivity of ZB nanowires are approximately 2%–12% and 23%–35% lower than those of WZ nanowires, respectively. The lower initial residual compressive stress due to higher irregularity of surface atoms causes the Young's modulus of ZB nanowires to be lower. The dependence of the thermal conductivity on structure comes from differences in phonon group velocities associated with the different wires. The thermal conductivity of polytypic superlattice nanowires is up to 55% lower than that of single-crystalline nanowires, primarily because of phonon scattering at the interfaces and the resulting lower effective phonon mean free paths for each structural region. As the periodic lengths (1.85–29.62 nm) and specimen lengths (14.81–59.24 nm) of SLNWs decrease, these effects become more pronounced, causing the thermal conductivity to further decrease by up to 30%.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Nanosecond pump and probe observation of bimolecular exciton effects in rubrene single crystals

Transient grating pump and probe experiments are used to investigate excitonic processes on the nanosecond time scale in rubrene single crystals. We find that bimolecular interactions cause a photoinduced excited state density on the order of 0.5 × 10{sup 20 }cm{sup −3}—corresponding to an average distance of ∼3 nm between individual states—to decrease by a factor of 2 after 2 ns, following a typical power-law decay. We assign the observed power-law decays to high-density interactions between excited states. Because of the high efficiency singlet exciton fission observed in rubrene, these bimolecular interactions are likely those between triplet excitons or between coherent quantum superpositions of a singlet and a pair of triplet-excitons.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Nanoimplantation and Purcell enhancement of single nitrogen-vacancy centers in photonic crystal cavities in diamond

We present the controlled creation of single nitrogen-vacancy (NV) centers via ion implantation at the center of a photonic crystal cavity which is fabricated in an ultrapure, single crystal diamond membrane. High-resolution placement of NV centers is achieved using collimation of a 5 keV-nitrogen ion beam through a pierced tip of an atomic force microscope. We demonstrate coupling of the implanted NV centers' broad band fluorescence to a cavity mode and observe Purcell enhancement of the spontaneous emission. The results are in good agreement with a master equation model for the cavity coupling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Domain patterning by electron beam of MgO doped lithium niobate covered by resist

Periodical domain structuring by focused electron beam irradiation of MgO-doped lithium niobate (MgOCLN) single crystalline plate covered by resist layer was studied both experimentally and by computer simulation. The dependences of domain size on the charge dose and distance between isolated domains were measured. It has been shown that the quality of periodical domain pattern depends on the thickness of resist layer and electron energy. The experimentally obtained periodic domain structures have been divided into four types. The irradiation parameters for the most uniform patterning were obtained experimentally. It was shown by computer simulation that the space charge slightly touching the crystal surface produced the maximum value of electric field at the resist/LN interface thus resulting in the best pattern quality. The obtained knowledge allowed us to optimize the poling process and to make the periodical domain patterns in 1-mm-thick wafers with an area up to 1 × 5 mm{sup 2} and a period of 6.89 μm for green light second harmonic generation. Spatial distribution of the efficiency of light frequency conversion confirmed the high homogeneity of the tailored domain patterns.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Discovery of iron group impurity ion spin states in single crystal Y{sub 2}SiO{sub 5} with strong coupling to whispering gallery photons

Interaction of Whispering Gallery Modes (WGMs) with dilute spin ensembles in solids is an interesting paradigm of Hybrid Quantum Systems potentially beneficial for Quantum Signal Processing applications. Unexpected ion transitions are measured in single crystal Y{sub 2}SiO{sub 5} using WGM spectroscopy with large Zero Field Splittings at 14.7 GHz, 18.4 GHz, and 25.4 GHz, which also feature considerable anisotropy of the g-tensors as well as two inequivalent lattice sites, indicating spins from Iron Group Ion (IGI) impurities. The comparison of undoped and Rare-Earth doped crystals reveal that the IGIs are introduced during co-doping of Eu{sup 3+} or Er{sup 3+} with concentration at much lower levels of order 100 ppb. The strong coupling regime between an ensemble of IGI spins and WGM photons have been demonstrated at 18.4 GHz and near zero field. This approach together with useful optical properties of these ions opens avenues for “spins-in-solids” Quantum Electrodynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Low temperature structural variations of Na{sub 0.5}Bi{sub 0.5}TiO{sub 3}-7%BaTiO{sub 3} single crystal: Evidences from optical ellipsometry and Raman scattering

Optical properties and structural variations of Na{sub 0.5}Bi{sub 0.5}TiO{sub 3}-7%BaTiO{sub 3} (NBT-7%BT) single crystal have been studied by temperature-dependent optical ellipsometry and Raman spectroscopy from 4.2 to 300 K. The second derivative of the complex dielectric functions reveals two interband transitions (E{sub cp1} and E{sub cp2}) located at about 3.49 and 4.25 eV, respectively. Depending on the temperature evolution of electronic transitions, structural variations appear near 60, 150, and 240 K, respectively. These anomalies are also well illustrated from the low-frequency phonon modes involving vibrations of Bi. The low-temperature structural variations of NBT-7%BT crystal can be associated with instability of the crystalline lattice driven by off-centered Bi ions, followed by the variations of polarizability of the unit cells.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Study of structural and ferromagnetic resonance properties of spinel lithium ferrite (LiFe{sub 5}O{sub 8}) single crystals

The effect of B-site cation ordering on the room temperature structural and ferromagnetic resonance (FMR) properties of single crystal spinel lithium ferrite (LiFe{sub 5}O{sub 8}, LFO) have been investigated. A detailed microstructural analysis is done through X-ray diffraction, polarized Raman spectroscopy, and transmission electron microscopy (TEM) to examine the effect of post-annealing on the B-site cation ordering. The X-ray diffraction pattern of the as-grown crystal indicates a disordered state of the crystal. However, the annealed sample shows additional superlattice reflections corresponding to the ordered phase. This ordering is further confirmed by Raman spectra and TEM images, which reveal ordering of Li and Fe ions at the octahedral sites contrasting with the relatively high degree of octahedral site disorder in the as-grown crystal. To study the effect of B-site ordering on the magnetic properties and FMR linewidth, vibrating sample magnetometry and broadband FMR measurements have been performed for both the ordered and disordered phases of lithium ferrite. The value of saturation magnetization for both phases is ∼290 emu/cm{sup 3}. A single mode FMR profile is observed for both phases with little distortion. The linewidth characteristics of the ordered and disordered phases of lithium ferrite phases are compared, and it is observed that the linewidth is independent of the cation ordering. Both the phases exhibit a low linewidth (∼26 Oe at 30 GHz) and the effective damping parameter for the as-grown and annealed samples is determined to be 0.0021 ± 0.0001.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Rise and fall of ferromagnetism in O-irradiated Al{sub 2}O{sub 3} single crystals

In dilute magnetic semiconductors studies, sapphire was usually used as non-magnetic substrate for films. We observed weak ferromagnetic component in Al{sub 2}O{sub 3} single crystal substrate, and excluded the possibility of ferromagnetic contaminations carefully by inductively coupled plasma mass spectrometry and X-ray photoelectron spectroscopy. The ferromagnetism rise and fall during the process of annealing-oxygen irradiation-annealing of the sapphire. The ferromagnetic changes are consistent with Al-vacancy related defects detected by positron annihilation spectroscopy. With first-principle calculations, we confirm that Al-vacancy can introduce magnetic moment for 3 μB in Al{sub 2}O{sub 3} crystal and form stable V{sub Al}-V{sub Al} ferromagnetic coupling at room temperature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Strong photoluminescence of the porous silicon with HfO{sub 2}-filled microcavities

Greatly enhanced blue emission was observed at room temperature in the single-crystal silicon with HfO{sub 2} filled into its microcavities. The broad blue band light was emitted from both the HfO{sub 2} dielectric and the porous Si. The ferroelectricity of HfO{sub 2} enhances the blue emission from Si by its filling into the microcaivities. At the same time, HfO{sub 2} contributes to the light emission for the transitions of the defect levels for oxygen vacancy. The observation of greatly enhanced blue light emission of the porous Si filled with HfO{sub 2} dielectric is remarkable as both HfO{sub 2} and Si are highly compatible with Si-based electronic industry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Antiferromagnetic order induced by gadolinium substitution in Bi{sub 2}Se{sub 3} single crystals

Magnetic topological insulators can serve as a fundamental platform for various spin-based device applications. We report the antiferromagnetic order induced by the magnetic impurity dopants of Gd in Gd{sub x}Bi{sub 2−x}Se{sub 3} and the systematic results with varying the Gd concentration x ( = 0.14, 0.20, 0.30, and 0.40). The antiferromagnetic order is demonstrated by the magnetic susceptibility, electrical resistivity, and specific heat measurements. The anomaly observed at T{sub N} = 6 K for x ≥ 0.30 shifts towards lower temperature with increasing the magnetic field, indicative of antiferromagnetic ground state. The Gd substitution into Bi{sub 2}Se{sub 3} enables not only tuning the magnetism from paramagnetic to antiferromagnetic for high x (≥ 0.30) but also giving a promising candidate for antiferromagnetic topological insulators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Chemical potential shift in organic field-effect transistors identified by soft X-ray operando nano-spectroscopy

A chemical potential shift in an organic field effect transistor (OFET) during operation has been revealed by soft X-ray operando nano-spectroscopy analysis performed using a three-dimensional nanoscale electron-spectroscopy chemical analysis system. OFETs were fabricated using ultrathin (3 ML or 12 nm) single-crystalline C10-DNBDT-NW films on SiO{sub 2} (200 nm)/Si substrates with a backgate electrode and top source/drain Au electrodes, and C 1s line profiles under biasing at the backgate and drain electrodes were measured. When applying −30 V to the backgate, there is C 1s core level shift of 0.1 eV; this shift can be attributed to a chemical potential shift corresponding to band bending by the field effect, resulting in p-type doping.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

High pressure floating zone growth and structural properties of ferrimagnetic quantum paraelectric BaFe{sub 12}O{sub 19}

High quality single crystals of BaFe{sub 12}O{sub 19} were grown using the floating zone technique in 100 atm of flowing oxygen. Single crystal neutron diffraction was used to determine the nuclear and magnetic structures of BaFe{sub 12}O{sub 19} at 4 K and 295 K. At both temperatures, there exist local electric dipoles formed by the off-mirror-plane displacements of magnetic Fe{sup 3+} ions at the bipyramidal sites. The displacement at 4 K is about half of that at room temperature. The temperature dependence of the specific heat shows no anomaly associated with long range polar ordering in the temperature range from 1.90 to 300 K. The inverse dielectric permittivity, 1/ε, along the c-axis shows a T{sup 2} temperature dependence between 10 K and 20 K, with a significantly reduced temperature dependence displayed below 10 K. Moreover, as the sample is cooled below 1.4 K there is an anomalous sharp upturn in 1/ε. These features resemble those of classic quantum paraelectrics such as SrTiO{sub 3}. The presence of the upturn in 1/ε indicates that BaFe{sub 12}O{sub 19} is a critical quantum paraelectric system with Fe{sup 3+} ions involved in both magnetic and electric dipole formation.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Origin of green luminescence in hydrothermally grown ZnO single crystals

Combining photoluminescence and positron annihilation studies of hydrothermally grown ZnO crystals with stoichiometry varied by controlled annealing enabled us to clarify the origin of green luminescence. It was found that green luminescence in ZnO has multiple origins and consists of a band at 2.3(1) eV due to recombination of electrons of the conduction band by zinc vacancy acceptors coupled with hydrogen and a band at 2.47(2) eV related to oxygen vacancies. The as-grown ZnO crystals contain zinc vacancies associated with hydrogen and exhibit a green luminescence at 2.3(1) eV. Annealing in Zn vapor removed zinc vacancies and introduced oxygen vacancies. This led to disappearance of the green luminescence band at 2.3(1) eV and appearance of a green emission at higher energy of 2.47(2) eV. Moreover, the color of the crystal was changed from colorless to dark red. In contrast, annealing of the as-grown crystal in Cd vapor did not remove zinc vacancies and did not cause any significant change of green luminescence nor change in coloration.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Epitaxial Cu{sub 2}ZnSnS{sub 4} thin film on Si (111) 4° substrate

To explore the possibility of Cu{sub 2}ZnSnS{sub 4} (CZTS)/Si based tandem solar cells, the heteroepitaxy of tetragonal Cu{sub 2}ZnSnS{sub 4} thin films on single crystalline cubic Si (111) wafers with 4° miscut is obtained by molecular beam epitaxy. The X-ray θ-2θ scan and selected area diffraction patterns of the CZTS thin films and Si substrates, and the high resolution transmission electron microscopy image of the CZTS/Si interface region demonstrate that the CZTS thin films are epitaxially grown on the Si substrates. A CZTS/Si P-N junction is formed and shows photovoltaic responses, indicating the promising application of epitaxial CZTS thin films on Si.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Thermo-acoustic engineering of silicon microresonators via evanescent waves

A temperature-compensated silicon micromechanical resonator with a quadratic temperature characteristic is realized by acoustic engineering. Energy-trapped resonance modes are synthesized by acoustic coupling of propagating and evanescent extensional waves in waveguides with rectangular cross section. Highly different temperature sensitivity of propagating and evanescent waves is used to engineer the linear temperature coefficient of frequency. The resulted quadratic temperature characteristic has a well-defined turn-over temperature that can be tailored by relative energy distribution between propagating and evanescent acoustic fields. A 76 MHz prototype is implemented in single crystal silicon. Two high quality factor and closely spaced resonance modes, created from efficient energy trapping of extensional waves, are excited through thin aluminum nitride film. Having different evanescent wave constituents and energy distribution across the device, these modes show different turn over points of 67 °C and 87 °C for their quadratic temperature characteristic.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗