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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
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↗
DOE OSTI2015

Ferromagnetic resonance in a single crystal of iron borate and magnetic field tuning of hybrid oscillations in a composite structure with a dielectric: Experiment and theory

The high-frequency properties of a composite resonator comprised single crystal iron borate (FeBO{sub 3}), a canted antiferromagnet with a weak ferromagnetic moment, and a polycrystalline dielectric were investigated at 9–10 GHz. Ferromagnetic resonance in this frequency range was observed in FeBO{sub 3} for bias magnetic fields of ∼250 Oe. In the composite resonator, the magnetic mode in iron borate and dielectric mode are found to hybridize strongly. It is shown that the hybrid mode can be tuned with a static magnetic field. Our studies indicate that coupling between the magnetic mode and the dielectric resonance can be altered from maximum hybridization to a minimum by adjusting the position of resonator inside the waveguide. Magnetic field tuning of the resonance frequency by a maximum of 145 MHz and a change in the transmitted microwave power by as much as 16 dB have been observed for a bias field of 250 Oe. A model is discussed for the magnetic field tuning of the composite resonator and theoretical estimates are in reasonable agreement with the data. The composite resonator with a weak ferromagnet and a dielectric is of interest for application in frequency agile devices with electronically tunable electrodynamic characteristics for the mm and sub-mm wave bands.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Optical and electron transport properties of rock-salt Sc{sub 1−x}Al{sub x}N

Epitaxial single-crystal Sc{sub 1−x}Al{sub x}N ternary alloy layers deposited by magnetron co-sputtering on MgO(001) substrates at 950 °C exhibit a solid solution rock-salt phase for x = 0–0.2 without decomposition. Optical absorption indicates a linear increase in the optical gap from 2.51 eV for ScN to 3.05 eV for Sc{sub 0.8}Al{sub 0.2}N and, after correction due to the Moss-Burstein shift, a direct X point interband transition energy E{sub g}(X) = 2.15 + 2.75 x (eV). Correspondingly, the direct transition at the zone center increases with Al concentration according to E{sub g}(Γ) = 3.80 + 1.45 x (eV), as determined from a feature in the reflection spectra. All layers are degenerate n-type semiconductors with a room temperature mobility that decreases from 22 to 6.7 to 0.83 cm{sup 2}/V s as x increases from 0 to 0.11 to 0.20. The corresponding carrier densities are 9.2 × 10{sup 20}, 7.9 × 10{sup 20}, and 0.95 × 10{sup 20 }cm{sup −3} as determined from Hall measurements and consistent with optical free carrier absorption below photon energies of 1 eV. Temperature dependent transport measurements indicate metallic conduction for ScN, but weak localization that leads to a resistivity minimum at 85 and 210 K for x = 0.051 and 0.15, respectively, and a negative temperature coefficient over the entire measured 4–300 K range for Sc{sub 0.8}Al{sub 0.2}N. The decreasing mobility is attributed to alloy scattering at randomly distributed Al atoms on cation sites, which also cause the weak localization. The carrier density is primarily due to unintentional F doping from the Sc target and decreases strongly for x > 0.15, which is attributed to trapping in defect states due to the deterioration of the crystalline quality, as evidenced by the x-ray diffraction peak width that exhibits a minimum of 0.14° for x = 0.11 but increases to 0.49° for x = 0.20. This is consistent with asymmetric x-ray diffraction analyses, indicating a relaxed lattice constant that decreases from 4.511 ± 0.005 to 4.411 ± 0.004 Å for x = 0–0.2, and a biaxial in-plane compressive strain that decreases from −1.1% to −0.2% as x increases from 0 to 0.11, which is attributed to the higher Al adatom mobility, but increases again to −1.8% for x = 0.20, as x approaches the critical composition for phase separation, which causes structural instability and a higher defect density.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Effect of dislocation pile-up on size-dependent yield strength in finite single-crystal micro-samples

Recent research has explained that the steeply increasing yield strength in metals depends on decreasing sample size. In this work, we derive a statistical physical model of the yield strength of finite single-crystal micro-pillars that depends on single-ended dislocation pile-up inside the micro-pillars. We show that this size effect can be explained almost completely by considering the stochastic lengths of the dislocation source and the dislocation pile-up length in the single-crystal micro-pillars. The Hall–Petch-type relation holds even in a microscale single-crystal, which is characterized by its dislocation source lengths. Our quantitative conclusions suggest that the number of dislocation sources and pile-ups are significant factors for the size effect. They also indicate that starvation of dislocation sources is another reason for the size effect. Moreover, we investigated the explicit relationship between the stacking fault energy and the dislocation “pile-up” effect inside the sample: materials with low stacking fault energy exhibit an obvious dislocation pile-up effect. Our proposed physical model predicts a sample strength that agrees well with experimental data, and our model can give a more precise prediction than the current single arm source model, especially for materials with low stacking fault energy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Pre-nitridation induced In incorporation in In{sub x}Ga{sub 1−x}N nanorods on Si(111) grown by molecular beam epitaxy

We address the issue of obtaining high quality green emitting InGaN nanorods without any phase separation. Role of pre-nitridation of the Si(111) substrate and growth, temperature on the morphology, structural and optical properties of In{sub x}Ga{sub 1−x}N films grown by plasma assisted molecular beam epitaxy, has been studied. The nitrogen rich growth environment and surface nitridation results in the formation of vertically well-aligned single crystalline nanorods that are coalesced and isolated at 400 °C and 500 °C, respectively. In incorporation is also seen to be enhanced to ≈28% at 400 °C to yield a stable green emission, while the nanorods grown at 500 °C show blue band-edge emission. The orientation, phase separations, and optical properties characterized by Reflection High Energy Electron Diffraction, Field Emission Scanning Electron Microscopy, high resolution x-ray diffraction, x-ray photoelectron spectroscopy, and photoluminescence are corroborated to understand the underlying mechanism. The study optimizes conditions to grow high quality catalyst-free well-aligned InGaN rods on nitrided Si surface, whose band-edge emission can be tuned from blue to green by sheer control of the substrate temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Modulation of superconducting critical temperature in niobium film by using all-solid-state electric-double-layer transistor

An all-solid-state electric-double-layer transistor (EDLT) was fabricated for electrical modulation of the superconducting critical temperature (T{sub c}) of Nb film epitaxially grown on α-Al{sub 2}O{sub 3} (0001) single crystal. In an experiment, T{sub c} was modulated from 8.33 to 8.39 K while the gate voltage (V{sub G}) was varied from 2.5 to −2.5 V. The specific difference of T{sub c} for the applied V{sub G} was 12 mK/V, which is larger than that of an EDLT composed of ionic liquid. A T{sub c} enhancement of 300 mK was found at the Li{sub 4}SiO{sub 4}/Nb film interface and is attributed to an increase in density of states near the Fermi level due to lattice constant modulation. This solid electrolyte gating method should enable development of practical superconducting devices highly compatible with other electronic devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

High pressure Laue diffraction and its application to study microstructural changes during the α → β phase transition in Si

Here, an approach using polychromatic x-ray Laue diffraction is described for studying pressure induced microstructural changes of materials under pressure. The advantages of this approach with respect to application of monochromatic x-ray diffraction and other techniques are discussed. Experiments to demonstrate the applications of the method have been performed on the α → β phase transition in Si at high pressures using a diamond anvil cell. We present the characterization of microstructures across the α–β phase transition, such as morphology of both the parent and product phases, relative orientation of single-crystals, and deviatoric strains. Subtle inhomogeneous strain of the single-crystal sample caused by lattice rotations becomes detectable with the approach.

47 OTHER INSTRUMENTATION↗
DOE OSTI2015

Electronic structure of β-Ga{sub 2}O{sub 3} single crystals investigated by hard X-ray photoelectron spectroscopy

By combination of hard X-ray photoelectron spectroscopy (HAXPES) and first-principles band structure calculations, the electronic states of β-Ga{sub 2}O{sub 3} were investigated to deepen the understanding of bulk information for this compound. The valence band spectra of HAXPES presented the main contribution from Ga 4sp, which are well represented by photoionization cross section weighted partial density of states. The experimental data complemented with the theoretical study yield a realistic picture of the electronic structure for β-Ga{sub 2}O{sub 3}.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗