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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Extremely efficient exciton fission and fusion and its dominant contribution to the photoluminescence yield in rubrene single crystals

Measurements of photoluminescence yield over a wide range of excitation power in rubrene single crystals reveal a transition between a low-yield region and a region with a yield more than an order of magnitude larger. This transition occurs at an excitation density of 3 × 10{sup 20} cm{sup −3} absorbed photons per second. This power dependence is predicted in case of an extremely efficient conversion between singlet and triplet excitons through fission and fusion. Triplet fusion starts contributing to rubrene's photoluminescence already at intensities of a few mW/cm{sup 2} at room temperature, corresponding to triplet densities of ∼10{sup 16} cm{sup −3}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Selective excitation of spin resonance in orthoferrite PrFeO{sub 3} with impulsive polarized terahertz radiation

Single cycle terahertz (THz) pulses were employed to excite coherent spin waves in (110)-oriented PrFeO{sub 3} single crystal. The free induction decay radiations at frequency of 0.34 THz (quasi-ferromagnetic mode, FM mode) and 0.41 THz (quasi-antiferromagnetic mode, AFM mode) were observed arising from the coupling of magnetic moment with the impulsive magnetic field of polarized terahertz radiation. These two spin modes in PrFeO{sub 3} can be excited and modulated by the magnetic field of THz pulse with a specific polarization with respect to the crystal axis. The extracted complex dielectric permittivity and magnetic permeability dispersion in THz range suggest a higher efficiency of energy transfer from the impulsive THz pulse into the AFM than the FM spin system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Strain controlled metal-insulator transition in epitaxial NdNiO{sub 3} thin films

We have fabricated epitaxial thin films of NdNiO{sub 3} (NNO) on various single crystal substrates. The transport properties of NNO films are very sensitive to substrate-controlled epitaxial strain. As the strain varies from tensile to compressive, the Mott metal-insulator transition of NNO films shifts to low temperatures. Under a larger compressive strain, the film on LaSrAlO{sub 4} substrate exhibits a practically metallic transport characteristic. We have found that the conductivities of NNO films at low temperatures follow Mott's variable range hopping mechanism rather than thermal activation model and the epitaxial strain has a strong effect on Mott's parameters of NNO films. These findings demonstrate that the electronic transport of NNO thin films can be tuned by the epitaxial strain for next-generation perovskite-based microelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Synthesis and structural characterization of new dithiocarbamate complexes from Sb(III) and Bi(III)

Twenty new antimony and bismuth dithiocarbamate complexes which employed ten different type of amines have been successfully synthesized. The synthesized complexes with metal to dithiocarbamate ratio at 1:3. Elemental analysis of the complexes gave the general formula of MCl[S{sub 2}CNR’R”]{sub 2} where M = Sb(III), Bi(III); R’ = methyl, ethyl, propyl, isopropyl, butyl, sec-butyl, benzyl; R” = ethanol, methyl, ethyl, propyl, isopropyl, cyclohexyl, benzyl. The complexes were analysed by IR and NMR spectroscopy. The crystal structure of five-coordinated antimony (III) complex have been determined by X-ray single crystal diffraction. Single crystal X-ray diffraction studies on SbCl[S{sub 2}CN(C{sub 4}H{sub 9})(C{sub 2}H{sub 5})]{sub 2} adopted a triclinic system with a space group P1 with a = 10.0141(8) Å, b = 10.1394(7) Å, c = 11.8665(9) Å, α = 67.960°, β =87.616°, γ = 80.172°.

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

Density functional theory and evolution algorithm calculations of elastic properties of AlON

Different models for aluminum oxynitride (AlON) were calculated using density functional theory and optimized using an evolutionary algorithm. Evolutionary algorithm and density functional theory (DFT) calculations starting from several models of AlON with different Al or O vacancy locations and different positions for the N atoms relative to the vacancy were carried out. The results show that the constant anion model [McCauley et al., J. Eur. Ceram. Soc. 29(2), 223 (2009)] with a random distribution of N atoms not adjacent to the Al vacancy has the lowest energy configuration. The lowest energy structure is in a reasonable agreement with experimental X-ray diffraction spectra. The optimized structure of a 55 atom unit cell was used to construct 220 and 440 atom models for simulation cells using DFT with a Gaussian basis set. Cubic elastic constant predictions were found to approach the experimentally determined AlON single crystal elastic constants as the model size increased from 55 to 440 atoms. The pressure dependence of the elastic constants found from simulated stress-strain relations were in overall agreement with experimental measurements of polycrystalline and single crystal AlON. Calculated IR intensity and Raman spectra are compared with available experimental data.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Coupling of magnetic field and lattice strain and its impact on electronic phase separation in La{sub 0.335}Pr{sub 0.335}Ca{sub 0.33}MnO{sub 3}/ferroelectric crystal heterostructures

Phase-separated La{sub 0.335}Pr{sub 0.335}Ca{sub 0.33}MnO{sub 3} films were epitaxially grown on (001)- and (111)-oriented ferroelectric single-crystal substrates. Upon poling along the [001] or [111] direction, dramatic decrease in resistance, up to 99.98%, and complete melting of the charge-ordered phase were observed, caused by poling-induced strain rather than accumulation of electrostatic charge at interface. Such poling-induced strain effects can be effectively tuned by a magnetic field and mediated by electronic phase separation. In particular, our findings show that the evolution of the strength of electronic phase separation against temperature and magnetic field can be determined by measuring the strain-tunability of resistance [(ΔR/R){sub strain}] under magnetic fields.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Structural and magnetic properties of irradiated SiC

We present a comprehensive structural characterization of ferromagnetic SiC single crystals induced by Ne ion irradiation. The ferromagnetism has been confirmed by electron spin resonance, and possible transition metal impurities can be excluded to be the origin of the observed ferromagnetism. Using X-ray diffraction and Rutherford backscattering/channeling spectroscopy, we estimate the damage to the crystallinity of SiC, which mutually influences the ferromagnetism in SiC.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Long-term superelastic cycling at nano-scale in Cu-Al-Ni shape memory alloy micropillars

Superelastic behavior at nano-scale has been studied along cycling in Cu-Al-Ni shape memory alloy micropillars. Arrays of square micropillars were produced by focused ion beam milling, on slides of [001] oriented Cu-Al-Ni single crystals. Superelastic behavior of micropillars, due to the stress-induced martensitic transformation, has been studied by nano-compression tests during thousand cycles, and its evolution has been followed along cycling. Each pillar has undergone more than thousand cycles without any detrimental evolution. Moreover, we demonstrate that after thousand cycles they exhibit a perfectly reproducible and completely recoverable superelastic behavior.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Irradiation-induced magnetic ordering in SiC: Experimental results and a density functional study

Magnetism of 6H-SiC single crystals implanted with 3 MeV protons is studied both experimentally and theoretically. We found that proton irradiation can induce stable ferromagnetism in 6H-SiC with a Curie temperature above 300 K. There is a dose window available for tuning the magnetization of the samples. The maximum saturation magnetizations (0.17 emu/g) are three orders of magnitude larger than that reported in neutron-irradiated SiC crystals (1 × 10{sup −4} emu/g). First-principles calculations indicate that the ferromagnetism is related to the divacancy-related defects (V{sub Si}V{sub C} + nH, (n = 1–3)) generated under proton irradiation. This offers a promising route for the development of metal-free SiC magnets.

36 MATERIALS SCIENCE↗
DOE OSTI2014

High performance organic field-effect transistors with ultra-thin HfO{sub 2} gate insulator deposited directly onto the organic semiconductor

We have produced stable organic field-effect transistors (OFETs) with an ultra-thin HfO{sub 2} gate insulator deposited directly on top of rubrene single crystals by atomic layer deposition (ALD). We find that ALD is a gentle deposition process to grow thin films without damaging rubrene single crystals, as results these devices have a negligibly small threshold voltage and are very stable against gate-bias-stress, and the mobility exceeds 1 cm{sup 2}/V s. Moreover, the devices show very little degradation even when kept in air for more than 2 months. These results demonstrate thin HfO{sub 2} layers deposited by ALD to be well suited as high capacitance gate dielectrics in OFETs operating at small gate voltage. In addition, the dielectric layer acts as an effective passivation layer to protect the organic semiconductor.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Polar nanoregions and dielectric properties in high-strain lead-free 0.93(Bi{sub 1/2}Na{sub 1/2})TiO{sub 3}-0.07BaTiO{sub 3} piezoelectric single crystals

A structural coexistence of rhombohedral (R) and tetragonal (T) phases has been revealed in the (001){sub c}-cut lead-free 0.93(Bi{sub 1/2}Na{sub 1/2})TiO{sub 3}–0.07BaTiO{sub 3} (BNB7T) piezoelectric crystals, which grown by the self-flux method, in the lower temperatures by high-resolution synchrotron X-ray diffraction, reciprocal space mapping, and transmission electron microscopy. The dielectric permittivity exhibits a thermal hysteresis in the region of 120–260 °C, implying a first-order-like phase transition from R+T to T. The real part (ε′) of dielectric permittivity begins to deviates from the Curie-Weiss equation, ε′ = C/(T − T{sub o}), from the Burns temperature T{sub B} = 460 °C, below which the polar nanoregions (or nanoclusters) develop and attenuate dielectric responses. The polar nanoregions of 5–10 nm were revealed by high-resolution transmission electron microscope. The normal piezoelectric coefficient d{sub 33} exhibits a rapid increase at E = 15–20 kV/cm and reaches a maximum of d{sub 33} ∼450 pC/N. The high piezoelectric response and E-field induced strain in BNB7T single crystals can be attributed to structural phase transitions under an E-field application.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Optical signatures of photoinduced Zn vacancies in ZnO single crystal

193-nm excimer laser interaction with ZnO single-crystal at 0.05–500 KW/cm{sup 2} intensities is investigated under ultra high vacuum conditions by time resolved photoluminescence (PL) spectroscopy. A dominant 3.18 eV PL emission band at 295 K is observed. This band shows unusually long 0.52 ± 0.01 μs lifetime, indicating a defect mediated emission mechanism. The demonstrated negative thermal quenching for this band confirms its free electron to acceptor type transition. The involved acceptor is attributed to zinc vacancy with ∼100 meV shallow acceptor state. This study finds that 193-nm interactions produce Zn vacancies in transient states at 0.05–50 KW/cm{sup 2} excitation intensities and in stable state at 500 KW/cm{sup 2} or above intensities. The transient zinc vacancy production at such low intensities further validates the Frenkel pair creation as mechanism for creating these defects in ZnO single-crystal.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Interstitial Fe in MgO

Isolated {sup 57}Fe atoms were studied in MgO single-crystals by emission Mössbauer spectroscopy following implantation of {sup 57}Mn decaying to {sup 57}Fe. Four Mössbauer spectral components were found corresponding to different Fe lattice positions and/or charge states. Two components represent Fe atoms substituting Mg as Fe{sup 2+} and Fe{sup 3+}, respectively; a third component is due to Fe in a strongly implantation-induced disturbed region. The fourth component, which is the focus of this paper, can be assigned to Fe at an interstitial site. Comparison of its measured isomer shift with ab initio calculations suggests that the interstitial Fe is located on, or close to, the face of the rock-salt MgO structure. To harmonize such an assignment with the measured near-zero quadrupole interaction a local motion process (cage motion) of the Fe has to be stipulated. The relation of such a local motion as a starting point for long range diffusion is discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Superior dielectric properties for template assisted grown (100) oriented Gd{sub 2}O{sub 3} thin films on Si(100)

We report about the single crystalline growth and dielectric properties of Gd{sub 2}O{sub 3}(100) thin films on Si(100) surface. Using a two step molecular beam epitaxy growth process, we demonstrate that controlled engineering of the oxide/Si interface is a key step to achieve the atypical (100) oriented growth of Gd{sub 2}O{sub 3}. Unusually, high dielectric constant values (∼23–27) were extracted from capacitance voltage measurements. Such effect can be understood in terms of a two dimensional charge layer at the Gd{sub 2}O{sub 3}/Si interface (W. Sitaputra and R. Tsu, Appl. Phys. Lett. 101, 222903 (2012)) which can influence the dielectric properties of the oxide layer by forming an additional negative quantum capacitance.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Pressure effects on magnetic pair-breaking in Mn- and Eu-substituted BaFe{sub 2}As{sub 2}

We report a combined study of hydrostatic pressure (P ≤ 25 kbar) and chemical substitution on the magnetic pair-breaking effect in Eu- and Mn-substituted BaFe{sub 2}As{sub 2} single crystals. At ambient pressure, both substitutions suppress the superconducting (SC) transition temperature (T{sub c}) of BaFe{sub 2–x}Co{sub x}As{sub 2} samples slightly under the optimally doped region, indicating the presence of a pair-breaking effect. At low pressures, an increase of T{sub c} is observed for all studied compounds followed by an expected decrease at higher pressures. However, in the Eu dilute system, T{sub c} further increases at higher pressure along with a narrowing of the SC transition, suggesting that a pair-breaking mechanism reminiscent of the Eu Kondo single impurity regime is being suppressed by pressure. Furthermore, Electron Spin Resonance (ESR) measurements indicate the presence of Mn{sup 2+} and Eu{sup 2+} local moments and the microscopic parameters extracted from the ESR analysis reveal that the Abrikosov–Gor'kov expression for magnetic pair-breaking in a conventional sign-preserving superconducting state cannot describe the observed reduction of T{sub c}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Reflection type of terahertz imaging system using a high-T{sub c} superconducting oscillator

A reflection type of imaging system is shown at sub-terahertz frequencies generated from high-T{sub c} superconducting intrinsic Josephson junction mesa structures fabricated by single crystalline Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8+δ} to demonstrate how the sub-terahertz imaging technique using monochromatic radiation is powerful and unique for the variety of practical applications. Several examples are discussed in detail and are compared to other terahertz imaging systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Results for aliovalent doping of CeBr{sub 3} with Ca{sup 2+}

Despite the outstanding scintillation performance characteristics of cerium tribromide (CeBr{sub 3}) and cerium-activated lanthanum tribromide, their commercial availability and application are limited due to the difficulties of growing large, crack-free single crystals from these fragile materials. This investigation employed aliovalent doping to increase crystal strength while maintaining the optical properties of the crystal. One divalent dopant (Ca{sup 2+}) was used as a dopant to strengthen CeBr{sub 3} without negatively impacting scintillation performance. Ingots containing nominal concentrations of 1.9% of the Ca{sup 2+} dopant were grown, i.e., 1.9% of the CeBr{sub 3} molecules were replaced by CaBr{sub 2} molecules, to match our target replacement of 1 out of 54 cerium atoms be replaced by a calcium atom. Precisely the mixture was composed of 2.26 g of CaBr{sub 2} added to 222.14 g of CeBr{sub 3}. Preliminary scintillation measurements are presented for this aliovalently doped scintillator. Ca{sup 2+}-doped CeBr{sub 3} exhibited little or no change in the peak fluorescence emission for 371 nm optical excitation for CeBr{sub 3}. The structural, electronic, and optical properties of CeBr{sub 3} crystals were studied using the density functional theory within the generalized gradient approximation. Calculated lattice parameters are in agreement with the experimental data. The energy band structures and density of states were obtained. The optical properties of CeBr{sub 3}, including the dielectric function, were calculated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

High field magnetotransport and point contact Andreev reflection measurements on CuCr{sub 2}Se{sub 4} and CuCr{sub 2}Se{sub 3}Br—Degenerate magnetic semiconductor single crystals

Single crystals of the metallically degenerate fully magnetic semiconductors CuCr{sub 2}Se{sub 4} and CuCr{sub 2}Se{sub 3}Br have been prepared by the Chemical Vapour Transport method, using either Se or Br as transport agents. The high-quality, millimetre-sized, octahedrally faceted, needle- and platelet-shaped crystals are characterised by means of high field magnetotransport (μ{sub 0}H≤ 14 T) and Point Contact Andreev Reflection. The relatively high spin polarisation observed |P|>0.56, together with the relatively low minority carrier effective mass of 0.25 m{sub e}, and long scattering time 10{sup −13} s, could poise these materials for integration in low- and close-to-room temperature minority injection bipolar heterojunction transistor demonstrations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗