Search NASA⌕ Search

SEARCH · Search NASA

Results for “MONOCRYSTALS”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 901 records · Page 50
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Physical model construction for electrical anisotropy of single crystal zinc oxide micro/nanobelt using finite element method

Based on conductivity characterization of single crystal zinc oxide (ZnO) micro/nanobelt (MB/NB), we further investigate the physical mechanism of nonlinear intrinsic resistance-length characteristic using finite element method. By taking the same parameters used in experiment, a model of nonlinear anisotropic resistance change with single crystal MB/NB has been deduced, which matched the experiment characterization well. The nonlinear resistance-length comes from the different electron moving speed in various crystal planes. As the direct outcome, crystallography of the anisotropic semiconducting MB/NB has been identified, which could serve as a simple but effective method to identify crystal growth direction of single crystal semiconducting or conductive nanomaterial.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Thermal conductivity of layered borides: The effect of building defects on the thermal conductivity of TmAlB{sub 4} and the anisotropic thermal conductivity of AlB{sub 2}

Rare earth metal borides have attracted great interest due to their unusual properties, such as superconductivity and f-electron magnetism. A recent discovery attributes the tunability of magnetism in rare earth aluminoborides to the effect of so-called “building defects.” In this paper, we report data for the effect of building defects on the thermal conductivities of α-TmAlB{sub 4} single crystals. Building defects reduce the thermal conductivity of α-TmAlB{sub 4} by ≈30%. At room temperature, the thermal conductivity of AlB{sub 2} is nearly a factor of 5 higher than that of α-TmAlB{sub 4}. AlB{sub 2} single crystals are thermally anisotropic with the c-axis thermal conductivity nearly twice the thermal conductivity of the a-b plane. Temperature dependence of the thermal conductivity near and above room temperature reveals that both electrons and phonons contribute substantially to thermal transport in AlB{sub 2} with electrons being the dominant heat carriers.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Temperature dependent Raman scattering studies of three dimensional topological insulators Bi{sub 2}Se{sub 3}

We investigate the temperature dependent (83 K≤T≤523 K) frequency shift of 2A{sub g}{sup 1} and 1E{sub g}{sup 2} phonon modes in the three dimensional topological insulator Bi{sub 2}Se{sub 3}, using Raman spectroscopy. The high quality single crystals of Bi{sub 2}Se{sub 3} were grown using a modified Bridgman technique and characterized by Laue diffraction and high resolution transmission electron microscopy. A significant broadening in the line shape and red-shift in the frequencies were observed with increase in temperature. Polarized Raman scattering measurement shows a strong polarization effect of A{sub g}{sup 1} and A{sub g}{sup 2} phonon modes which confirms the good quality single crystals of Bi{sub 2}Se{sub 3}. Temperature co-efficient for A{sub 1g}{sup 1}, E{sub g}{sup 2}, and A{sub 1g}{sup 2} modes was estimated to be −1.44 × 10{sup −2}, −1.94 × 10{sup −2}, and −1.95 × 10{sup −2} cm{sup −1}∕K, respectively. Our results shed light on anharmonic properties of Bi{sub 2}Se{sub 3}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

The Raman spectrum of CaCO{sub 3} polymorphs calcite and aragonite: A combined experimental and computational study

Powder and single crystal Raman spectra of the two most common phases of calcium carbonate are calculated with ab initio techniques (using a “hybrid” functional and a Gaussian-type basis set) and measured both at 80 K and room temperature. Frequencies of the Raman modes are in very good agreement between calculations and experiments: the mean absolute deviation at 80 K is 4 and 8 cm{sup −1} for calcite and aragonite, respectively. As regards intensities, the agreement is in general good, although the computed values overestimate the measured ones in many cases. The combined analysis permits to identify almost all the fundamental experimental Raman peaks of the two compounds, with the exception of either modes with zero computed intensity or modes overlapping with more intense peaks. Additional peaks have been identified in both calcite and aragonite, which have been assigned to {sup 18}O satellite modes or overtones. The agreement between the computed and measured spectra is quite satisfactory; in particular, simulation permits to clearly distinguish between calcite and aragonite in the case of powder spectra, and among different polarization directions of each compound in the case of single crystal spectra.

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

A close correlation between nanostructure formations and the thickness dependence of the critical current density in pure and BaSnO{sub 3}-added GdBa{sub 2}Cu{sub 3}O{sub 7-δ} films

A close correlation between the nanostructure formations and the thickness dependence of the in-field critical current density (J{sub c}) in GdBa{sub 2}Cu{sub 3}O{sub 7-δ} (GdBCO) films is reported. Pure and 2 wt. % BaSnO{sub 3} (BSO)-added GdBCO films with film thicknesses (d) ranging from 0.2 μm to 1.5 μm were deposited on SrTiO{sub 3} single-crystalline substrates by using a pulsed laser deposition technique. Magnetization data measured at 77 K with the magnetic field applied parallel to the c-axis of the films showed the general trend of decreasing in-field J{sub c} with increasing residual film thickness. The two special inversions, however, were observed at d ∼ 0.6 μm, for which the J{sub c}’s of both the pure and BSO-added GdBCO films were larger than those of the films with d ∼ 0.4 μm. A sequential ion-milling process and scanning electron microscopy studies were employed to examine the microstructural evolution in the 1.5- μm-thick GdBCO films. For the pure GdBCO films, nanosized dislocations were observed to start growing at intersections of perpendicularly connected a-axis-oriented grains in a residual film thickness (t) of ∼ 0.6 μm and the growth persisted to the top surface of the 1.5-μm-thick GdBCO film. For the BSO-added GdBCO films, the density of BSO nanorods was estimated to be decreased versus t with an increase found at t of ∼ 0.6 μm A reason for this inversions of J{sub c} might be the nanostructure formations at t ∼ 0.6 μm, which were proved to serve as effective pinning centers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

High pressure phase transformation in yttrium sulfide(YS): A first principle study

First principles calculations have been carried out to analyze structural, elastic and dynamic stability, of YS under hydrostatic compression. The comparison of enthalpies of rocksalt type (B1) and CsCl type cubic (B2) structures determined as a function of compression suggests the B1→B2 transition at ∼ 49 GPa. Various physical quantities such as zero pressure equilibrium volume, bulk modulus, and pressure derivative of bulk modulus have been derived from the theoretically determined equation of state. The single crystal elastic constants derived from the energy strain method agree well with the experimental values. The activation barrier between B1 and B2 phases calculated at transition point is ∼ 17/mRy/formula unit. Our lattice dynamic calculations show that at ambient condition, the B1 phase is lattice dynamically stable and frequencies of phonon modes in different high symmetry directions of Brillouin zone agrees well with experimental values. The B2 phase also is dynamical stable at ambient condition as well as at ∼ 49 GPa, supporting our static lattice calculation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

High temperature ferromagnetism in Ni doped ZnO nanoparticles: Milling time dependence

We report on the room temperature ferromagnetism (RT FM) in the Zn{sub 1−x}Ni{sub x}O (x = 0, 0.03, and 0.05) nanoparticles (NPs) synthesized by a ball milling technique. X-ray diffraction analysis confirms the single crystalline ZnO wurtzite structure with presence of small intensity secondary phase related peak which disappear with increasing milling time for Ni doped samples. HRTEM lattice images show that the doped NPs are single crystalline with a dspacing of 2.44 Å. Energy-dispersive X-ray spectroscopy analysis confirms the presence of Ni ions in the ZnO matrix. Magnetic measurement (RT) exhibits the hysteresis loop with saturation magnetization (M{sub s}) of 1.6–2.56 (emu/g) and coercive field (H{sub c}) of 296–322 Oe. M-T measurement shows a Curie temperature of the order of 325°C for 3% Ni doped sample. Micro -Raman studies show doping/disorder induced additional modes at ∼510, 547, 572 cm{sup −1} in addition to 437 cm{sup −1} peak of pure ZnO. UV-Vis absorption spectra illustrate band gap shift due to doping. Alteration of M{sub s} value with the variation of doping concentration and milling time has been studied and discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Surfactant free hydrothermal synthesis of SnO{sub 2} nanorods with their microstructure and Raman studies

SnO{sub 2} nanorods were prepared by hydrothermal method without any surfactant. Their microstructure was studied with X-ray diffraction, Raman scattering and transmission electron microscopy. The range of nanorods diameter size is ∼3 to 19 nm. The crystal structure was confirmed to be SnO{sub 2} rutile tetragonal structure. The nanorods were single crystalline in nature as confirmed by HRTEM. Electron energy loss studies were carried out. EELS analysis showed presence SnO{sub 2} phase and SnO phase was not observed. New Raman modes (352 and 579 cm{sup −1}) corresponding to small size effects were observed for the SnO{sub 2} nanorods.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Metal-insulator transition in Na{sub x}WO{sub 3}: Photoemission spectromicroscopy study

We have investigated the validity of percolation model, which is quite often invoked to explain the metal-insulator transition in sodium tungsten bronzes, Na{sub x}WO{sub 3} by photoelectron spectromicroscopy. The spatially resolved direct spectromicroscopic probing on both the insulating and metallic phases of high quality single crystals of Na{sub x}WO{sub 3} reveals the absence of any microscopic inhomogeneities embedded in the system within the experimental limit. Neither any metallic domains in the insulating host nor any insulating domains in the metallic host have been found to support the validity of percolation model to explain the metal-insulator transition in Na{sub x}WO{sub 3}.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Synthesis, growth, structure determination and optical properties of chalcone derivative single crystal

Acquiring large nonlinear optical (NLO) efficient organic material is essential for the development of optoelectronics and photonic devices. Chalcone is the donor - Π - acceptor - Π - donor (D-Π-A-Π-D) type conjugated molecule with appreciable hyperpolarizability of potential interest in NLO applications. The addition of vinyl and electron donor groups in the chalcone molecule may enhance the second harmonic generation (SHG) efficiency. Here we report the synthesis, crystal growth and characterization of a chalcone derivative 1-(4-methylphenyl)-5-(4-methoxyphenyl)-penta-2,4-dien-1-one (MPMPP). The MPMPP crystal was grown by slow evaporation solution growth technique from acetone. The grown crystal structure was studied by single crystal X-ray diffraction. The SHG efficiency of the grown crystal was determined by Kurtz and Perry method.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Dielectric and magnetic investigations of GaFeO{sub 3} single crystals

Structural, dielectric and magnetic properties have been investigated for the polar ferrimagnet, GaFeO{sub 3} single crystals grown by optical floating zone technique. Phase formation was confirmed from X-ray diffraction. Hopping conduction mechanism of Fe{sup 2+} ions and oxygen vacancies contribute to the electric polarization and dielectric constant of the material. Disorderness in the cation site gives rise to the magnetic ordering and the splitting in the zero field cooled (ZFC) and field cooled (FC) magnetization curves reveals the movement of the domain walls.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Synthesis and crystal structure studies of ethyl 5-methyl-1, 3-diphenyl-1H-pyrazole-4-carboxylate

The title compound, C{sub 19}H{sub 18}N{sub 2}O{sub 2}, was investigated by single crystal X-ray diffraction method. It crystallizes in monoclinic class under the space group P2{sub 1}/c with cell parameters a= 8.4593(4) Å, b=15.6284(6) Å, c=12.4579(5) Å, α=90°, β=98.241(3)°, γ=90° and Z=2. The ethoxycarbonyl group is slightly twisted from the pyrazole ring, and adopts syn-periplanar conformation. The crystal structure is stabilized by intermolecular C-H….O hydrogen bonds, which help in stabilizing the crystal structure.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Growth and electrical properties on NLO crystal: 4-N,N-dimethylamino 4′-N′-methylstilbazolium iodide

4-N,N-Dimethylamino-4′-N′-methylstilbazolium tosylate single crystals were grown by solution crystal growth method. The cell parameters of grown crystal have been estimated using single crystal-X-ray diffraction analysis. The variation of real (´ε) and imaginary (´ε) part of dielectric constants and dielectric loss were observed for different frequencies and temperatures. The ac and dc electrical conductivities and activation energy were determined for DMSI crystal using dielectric studies.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Synthesis and single crystal x-ray diffraction study of a Schiff base derived from 4-acylpyrazolone and 2-aminophenol

The title compound, (Z)-1-(3-chlorophenyl)-4[1((2hydroxyphenyl)amino)propylidene] -3-methyl-1H-pyrazol-5(4H)-one was synthesized by refluxing compound 1-(m-chlorophenyl)-3-methyl-4-propionyl-5-pyrazolone, with 2-aminophenol in ethanol. The compound crystallizes in the orthorhombic crystal system with space group Pca2{sub 1} having unit cell parameters: a = 26.2993(8), b = 7.0724(2) and c = 18.7170(5)Å. The structure contains two crystallographically independent molecules, A, and, B, in the asymmetric unit cell. The crystal structure was solved by direct method using single crystal X-ray diffraction data collected at room temperature and refined by full-matrix least-squares procedures to a final R- value of 0.049 for 5207 observed reflections.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Growth and characterization of 4-chloro-3-nitrobenzophenone single crystals using vertical Bridgman technique

4-chloro-3-nitrobenzophenone (4C3N) has been grown by using vertical Bridgman technique. The grown crystal was confirmed by Powder X-ray diffraction analysis. The crystalline perfection of the grown crystal was examined by high-resolution X-ray diffraction study. The fluorescence spectra of grown 4C3N single crystals exhibit emission peak at 575 nm. The micro hardness measurements were used to analyze the mechanical property of the grown crystal.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Growth and optical characterizations on 3-aminophenol perchlorate (3-AMPP) crystal

A single crystal of organic nonlinear optical material 3-aminophenol perchlorate (3-AMP) was successfully grown by the slow evaporation solution method. Single-crystal X-ray diffractrometer was utilized to measure unit cell parameters and to confirm lattice parameter. 3-aminophenol perchlorate belongs to monoclinic space group P2{sub 1}. The optical transparency window in the UV-vis-NIR region is found to be good for nonlinear optical applications second harmonic studies were carried out. The second harmonic output intensity was tested using the Kurtz and Perry powder method and was found to be 1.1 times that of potassium dihydrogen phosphate (KDP)

36 MATERIALS SCIENCE↗
DOE OSTI2014

Modified Bridgman-Stockbarger growth and characterization of LiInSe{sub 2} single crystal

The LiInSe{sub 2} polycrystalline materials were successfully synthesized from melt and temperature oscillation method. 8 mm diameter and 32 mm length single crystal was grown from Bridgman-Stockbarger method with steady ampoule rotation. Crystalline phase was confirmed by powder XRD pattern. Thermo gravimetric and differential thermal analysis confirms that the melting point of the grown crystal is 897°C. Rutherford backscattering analysis (RBS) gives the crystal composition as Li{sub 0.8}In{sub 1.16}Se{sub 2.04}. The crystalline perfection of the grown crystal was analyzed by High resolution X-ray diffraction measurements (HRXRD). The electrical properties of the grown crystal were analyzed by Hall effect measurements and it confirms the n-type semiconducting nature.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Studies on synthesis, growth, structural, optical properties of organic 8-hydroxyquinolinium succinate single crystals

8-hydroxyquinolinium succinate (8HQSU), an organic material has been synthesized and single crystals were grown by employing the technique of slow evaporation. The structure of the grown crystal was elucidated by using single crystal X-ray diffraction analysis. 8HQSU crystal belongs to the monoclinic crystallographic system with non-centro symmetric space group of P2{sub 1}. FT-IR spectral investigation has been carried out to identify the various functional groups present in the grown crystal. UV–vis spectral studies reveal that 8HQSU crystals are transparent in the entire visible region and the cut-off wavelength has been found to be 220nm.

36 MATERIALS SCIENCE↗