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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 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Calculation of the lattice thermal conductivity in granular crystals

This paper provides a general model for the lattice thermal conductivity in granular crystals. The key development presented in this model is that the contribution of surface phonons to the thermal conductivity and the interplay between phonon anharmonic scattering and phonon scattering by boundaries are considered explicitly. Exact Boltzmann equation including spatial dependence of phonon distribution function is solved to yield expressions for the rates at which phonons scatter by the grain boundaries in the presence of intrinsic phonon scattering mechanisms. The intrinsic phonon scattering rates are calculated from Fermi's golden rule, and the vibration parameters of the model are derived as functions of temperature and crystallographic directions by using a lattice dynamics approach. The accuracy of the model is demonstrated with reference to experimental measurements regarding the effects of surface orientation and isotope composition on the thermal conductivity in single crystals, and the effect of grains size and shape on the thermal conductivity tensor in granular crystals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

High quality single atomic layer deposition of hexagonal boron nitride on single crystalline Rh(111) four-inch wafers

The setup of an apparatus for chemical vapor deposition (CVD) of hexagonal boron nitride (h-BN) and its characterization on four-inch wafers in ultra high vacuum (UHV) environment is reported. It provides well-controlled preparation conditions, such as oxygen and argon plasma assisted cleaning and high temperature annealing. In situ characterization of a wafer is accomplished with target current spectroscopy. A piezo motor driven x-y stage allows measurements with a step size of 1 nm on the complete wafer. To benchmark the system performance, we investigated the growth of single layer h-BN on epitaxial Rh(111) thin films. A thorough analysis of the wafer was performed after cutting in atmosphere by low energy electron diffraction, scanning tunneling microscopy, and ultraviolet and X-ray photoelectron spectroscopies. The apparatus is located in a clean room environment and delivers high quality single layers of h-BN and thus grants access to large area UHV processed surfaces, which had been hitherto restricted to expensive, small area single crystal substrates. The facility is versatile enough for customization to other UHV-CVD processes, e.g., graphene on four-inch wafers.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Temperature-dependent photocarrier recombination dynamics in Cu{sub 2}ZnSnS{sub 4} single crystals

Time-resolved photoluminescence (PL) measurements have been used to study the temperature-dependent photocarrier recombination dynamics in Cu{sub 2}ZnSnS{sub 4} (CZTS) single crystals. We found a significant change of nearly four orders of magnitude of the PL decay time, from microseconds at low temperatures to subnanoseconds at room temperature. The slow PL decay at low temperatures indicates localization of the photocarriers at the band tails. Due to the large band tail states, the PL decay time depends strongly on both the photon energy and excitation density. It is pointed out that the drastically enhanced nonradiative recombination at high temperatures is one of the main factors that determine the power conversion efficiency of CZTS-based solar cells.

14 SOLAR ENERGY↗
DOE OSTI2014

Monoclinic nanodomains in morphotropic phase boundary Pb(Mg{sub 1/3}Nb{sub 2/3})O{sub 3}–PbTiO{sub 3}

Crystalline structure is a fundamental characteristic of many materials, and drastic changes in properties may accompany crystal phase transitions. A prominent example of this is the morphotropic phase boundary of (Pb(Mg{sub 1/3}Nb{sub 2/3})O{sub 3}-PbTiO{sub 3}) single crystal, a region that exhibits a high piezoelectric effect. Although the highest piezoelectricity is often attributed to a monoclinic crystal phase, formation of ferroelectric nanodomains (NDs) complicates understanding of this crystal structure. In this Letter, we report dedicated transmission electron microscopy and electron diffraction analysis to understand the crystal structure at the ND level. Splitting of diffraction spots, caused by very small lattice distortion in the NDs, is important to understanding crystal structure and has been unambiguously observed. The results can be explained by monoclinic phase NDs. Combining these results with our previous findings on ND dynamics [Sato et al. Phys. Rev. Lett. 107, 187601 (2011)], monoclinic NDs can potentially make a considerable contribution to the piezoelectricity in these materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Investigation of the second-order nonlinear optical properties of Cs{sub 2}TeMo{sub 3}O{sub 12} single crystal

The complete set of second-order nonlinear optical (NLO) coefficients of Cs{sub 2}TeMo{sub 3}O{sub 12} single crystals were obtained using the Maker Fringe techniques. The NLO coefficients d{sub 32} and d{sub 33} were measured to be on the order of 6.8 and 6.5 pm/V, respectively. Irradiated by 1064 nm laser, the crystal is phase-matchable, and its effective nonlinear coefficient is 4.6 pm/V for type I phase matching at θ = 42.7°. The relationship between the second-order nonlinear properties and the crystal structure is also discussed. Considering its wide transmission range, phase matching, and large effective NLO coefficient, Cs{sub 2}TeMo{sub 3}O{sub 12} is a good candidate for IR NLO application.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Effect of Dy/Nd double layer on coercivity in Nd-Fe-B thin films

The Nd-Fe-B (t{sub NFB} = 30 nm)/[Dy (t{sub Dy} nm)/Nd (t{sub Nd} nm)] (t{sub Dy/Nd} = 20 nm) (thickness t{sub Dy} = 0–10 nm) thin films were deposited on Al{sub 2}O{sub 3}(0001) substrate and subsequently in-situ annealed at 470 °C. As-deposited Nd-Fe-B thin films with a highly perpendicular orientation of c-axis were deposited by introducing bcc-Mo(111) single crystal buffer layer. After post-annealing, the grain size of the Nd-Fe-B/Dy/Nd thin films with the t{sub Dy} = 10 nm and t{sub Nd} = 10 nm becomes large due to the Dy and the Nd atoms thermal diffusion, while DyFe{sub 2} and Dy oxide compounds are formed in Nd-Fe-B layers, which is confirmed by means of a combination of atomic force microscopy observation and X-ray diffraction measurement. The H{sub c} of Nd-Fe-B/Dy/Nd thin films with the t{sub Dy} = 10 nm and t{sub Nd} = 10 nm was approximately the same value of the Nd-Fe-B thin films without Dy/Nd double layer annealed at 470 °C. On the other hand, H{sub c} is enhanced to be about 22.1 kOe in the annealed Nd-Fe-B/Dy/Nd films with the t{sub Dy} = 0.8 nm and t{sub Nd} = 19.2 nm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Computed tomography image using sub-terahertz waves generated from a high-T{sub c} superconducting intrinsic Josephson junction oscillator

A computed tomography (CT) imaging system using monochromatic sub-terahertz coherent electromagnetic waves generated from a device constructed from the intrinsic Josephson junctions in a single crystalline mesa structure of the high-T{sub c} superconductor Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8+δ} was developed and tested on three samples: Standing metallic rods supported by styrofoam, a dried plant (heart pea) containing seeds, and a plastic doll inside an egg shell. The images obtained strongly suggest that this CT imaging system may be useful for a variety of practical applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Band gap structure modification of amorphous anodic Al oxide film by Ti-alloying

The band structure of pure and Ti-alloyed anodic aluminum oxide has been examined as a function of Ti concentration varying from 2 to 20 at. %. The band gap energy of Ti-alloyed anodic Al oxide decreases with increasing Ti concentration. X-ray absorption spectroscopy reveals that Ti atoms are not located in a TiO{sub 2} unit in the oxide layer, but rather in a mixed Ti-Al oxide layer. The optical band gap energy of the anodic oxide layers was determined by vacuum ultraviolet spectroscopy in the energy range from 4.1 to 9.2 eV (300–135 nm). The results indicate that amorphous anodic Al{sub 2}O{sub 3} has a direct band gap of 7.3 eV, which is about ∼1.4 eV lower than its crystalline counterpart (single-crystal Al{sub 2}O{sub 3}). Upon Ti-alloying, extra bands appear within the band gap of amorphous Al{sub 2}O{sub 3}, mainly caused by Ti 3d orbitals localized at the Ti site.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Heteroepitaxial growth of Cu{sub 2}ZnSnS{sub 4} thin film on sapphire substrate by radio frequency magnetron sputtering

The heteroepitaxy of tetragonal Cu2ZnSnS4 (CZTS) thin films on hexagonal sapphire (0001) single crystal substrates is successfully obtained by radio frequency magnetron sputtering. The sputtered CZTS film has a mirror-like smooth surface with a root mean square roughness of about 5.44 nm. X-ray θ-2θ scans confirm that CZTS film is (112) oriented on sapphire with an out of plane arrangement of CZTS (112) ‖ sapphire (0001). X-ray Phi scan further illustrates an in plane ordering of CZTS [201{sup ¯}] ‖ sapphire [21{sup ¯}1{sup ¯}0]. The high resolution transmission electron microscopy image of the interface region clearly shows that the CZTS thin film epitaxially grows on the sapphire (0001) substrate. The band gap of the film is found to be approximately 1.51 eV.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Controlled synthesis of single-crystalline graphene

This paper reports the controlled synthesis of single-crystalline graphene on the back side of copper foil using CH{sub 4} as the precursor. The influence of growth time and the pressure ratio of CH{sub 4}/H{sub 2} on the structure of graphene are examined. An optimized polymer-assisted method is used to transfer the synthesized graphene onto a SiO{sub 2}/Si substrate. Scanning electron microscopy and Raman spectroscopy are used to characterize the graphene.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Influence of stoichiometry and growth temperature on the crystal structure and magnetic properties of epitaxial L1{sub 0} Fe-Pd (001) films

To investigate the crystallographic structure and the magnetic properties as a function of chemical composition (40–62 at. %) and substrate temperature (T{sub s} = 300–550 °C), we fabricated epitaxial FePd films of thickness 20 ± 2 nm by sputtering on MgO (100) single-crystal substrates. The ordering parameter, measured by x-ray diffraction with synchrotron radiation, and the perpendicular anisotropy of the Fe{sub 54}Pt{sub 46} films increased with increasing substrate temperature. For FePd films (T{sub s} = 550 °C) with varied Fe content, a direct correlation between the ordering parameter and the magnetocrystalline anisotropy field is found. The greatest ordering parameter, 0.84, and magnetocrystalline anisotropy field, ∼20 kOe, were obtained for FePd films of Fe concentration 54 at. %, indicating that an off-stoichiometric L1{sub 0} FePd might be preferable for engineering and applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Single-crystal cubic boron nitride thin films grown by ion-beam-assisted molecular beam epitaxy

We investigated the formation of cubic boron nitride (c-BN) thin films on diamond (001) and (111) substrates by ion-beam-assisted molecular beam epitaxy (MBE). The metastable c-BN (sp{sup 3}-bonded BN) phase can be epitaxially grown as a result of the interplay between competitive phase formation and selective etching. We show that a proper adjustment of acceleration voltage for N{sub 2}{sup +} and Ar{sup +} ions is a key to selectively discriminate non-sp{sup 3} BN phases. At low acceleration voltage values, the sp{sup 2}-bonded BN is dominantly formed, while at high acceleration voltages, etching dominates irrespective of the bonding characteristics of BN.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Ultrafast dynamics of excitons in tetracene single crystals

Ultrafast exciton dynamics in free standing 200 nm thin tetracene single crystals were studied at room temperature by femtosecond transient absorption spectroscopy in the visible spectral range. The complex spectrally overlapping transient absorption traces of single crystals were systematically deconvoluted. From this, the ultrafast dynamics of the ground, excited, and transition states were identified including singlet exciton fission into two triplet excitons. Fission is generated through both, direct fission of higher singlet states S{sub n} on a sub-picosecond timescale, and thermally activated fission of the singlet exciton S{sub 1} on a 40 ps timescale. The high energy Davydov component of the S{sub 1} exciton is proposed to undergo fission on a sub-picoseconds timescale. At high density of triplet excitons their mutual annihilation (triplet-triplet annihilation) occurs on a <10 ps timescale.

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

Magneto-optical spectroscopy of ferromagnetic shape-memory Ni-Mn-Ga alloy

Magneto-optical properties of single crystal of Ni{sub 50.1}Mn{sub 28.4}Ga{sub 21.5} magnetic shape memory alloy in martensite and austenite phase were systematically studied. Crystal orientation was approximately along (100) planes of parent cubic austenite. At room temperature, the sample was in modulated 10M martensite phase and transformed to cubic austenite at 323 K. Spectral dependence of polar magneto-optical Kerr effect was obtained by generalized magneto-optical ellipsometry with rotating analyzer in the photon energy range from 1.2 to 4 eV, and from room temperature to temperature above the Curie point. The Kerr rotation spectra exhibit prominent features typical for complexes containing Mn atoms. Significant spectral changes during transformation to austenite can be explained by different optical properties caused by changes in density of states near the Fermi energy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Effects of self-heating and phase change on the thermal profile of hydrogen isotopes in confined geometries

Growth of high-quality single-crystal hydrogen in confined geometries relies on the in situ formation of seed crystals. Generation of deuterium-tritium seed crystals in a confined geometry is governed by three effects: self-heating due to tritium decay, external thermal environment, and latent heat of phase change at the boundary between hydrogen liquid and vapor. A detailed computation of the temperature profile for liquid hydrogen inside a hollow shell, as is found in inertial confinement fusion research, shows that seeds are likely to form at the equatorial plane of the shell. Radioactive decay of tritium to helium slowly alters the composition of the hydrogen vapor, resulting in a modified temperature profile that encourages seed formation at the top of the shell. We show that the computed temperature profile is consistent with a variety of experimental observations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Sm(Co{sub 1−x}Ni{sub x}){sub 5} ordered alloy thin films formed on Cr(100) single-crystal underlayers

Sm{sub 17}(Co{sub 1−x}Ni{sub x}){sub 83} (at. %, x = 0, 0.2, 0.8, and 1) alloy thin films are deposited on Cr(100) single-crystal underlayers at temperatures ranging between 100 and 500 °C by molecular beam epitaxy. The effects of substrate temperature and Ni/Co composition on the film growth behavior and the detailed resulting structure are investigated. Formation of epitaxial RT{sub 5} (R: rare earth metal, T: transition metal) ordered crystals is, respectively, recognized for the films with x of 0, 0.2, 0.8, and 1 deposited at temperatures higher than 400, 400, 300, and 300 °C, whereas the films deposited below the respective temperatures consist of amorphous phases. The order degree increases with increasing the substrate temperature and the Ni content. The order degrees of films with x of 0, 0.2, 0.8, and 1 deposited at 500 °C are 0.6, 0.7, 0.8, and 0.9, respectively. A replacement of Co site in SmCo{sub 5} structure with Ni atom is useful for enhancing the formation of RT{sub 5} ordered phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Electric field effect in ultrathin black phosphorus

Black phosphorus exhibits a layered structure similar to graphene, allowing mechanical exfoliation of ultrathin single crystals. Here, we demonstrate few-layer black phosphorus field effect devices on Si/SiO{sub 2} and measure charge carrier mobility in a four-probe configuration as well as drain current modulation in a two-point configuration. We find room-temperature mobilities of up to 300 cm{sup 2}/Vs and drain current modulation of over 10{sup 3}. At low temperatures, the on-off ratio exceeds 10{sup 5}, and the device exhibits both electron and hole conduction. Using atomic force microscopy, we observe significant surface roughening of thin black phosphorus crystals over the course of 1 h after exfoliation.

36 MATERIALS SCIENCE↗
DOE OSTI2014

FeN foils by nitrogen ion-implantation

Iron nitride samples in foil shape (free standing, 500 nm in thickness) were prepared by a nitrogen ion-implantation method. To facilitate phase transformation, the samples were bonded on the substrate followed by a post-annealing step. By using two different substrates, single crystal Si and GaAs, structural and magnetic properties of iron nitride foil samples prepared with different nitrogen ion fluences were characterized. α″-Fe{sub 16}N{sub 2} phase in iron nitride foil samples was obtained and confirmed by the proposed approach. A hard magnetic property with coercivity up to 780 Oe was achieved for the FeN foil samples bonded on Si substrate. The feasibility of using nitrogen ion implantation techniques to prepare FeN foil samples up to 500 nm thickness with a stable martensitic phase under high ion fluences has been demonstrated. A possible mechanism was proposed to explain this result. This proposed method could potentially be an alternative route to prepare rare-earth-free FeN bulk magnets by stacking and pressing multiple free-standing thick α″-Fe{sub 16}N{sub 2} foils together.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗