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Sample records for sb bi compounds

  1. Thermoelectric properties of quaternary (Bi,Sb){sub 2}(Te,Se){sub 3} compound

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Pengfei, E-mail: photon.bupt@gmail.com [State Key Laboratory of Information Photonics and Optical Communications, Ministry of Education, Beijing University of Posts and Telecommunications, P.O. Box 72, Beijing 100876 (China); Li, Yiluan; Wu, Chengjie; Yu, Zhongyuan; Cao, Huawei; Zhang, Xianlong; Cai, Ningning; Zhong, Xuxia [State Key Laboratory of Information Photonics and Optical Communications, Ministry of Education, Beijing University of Posts and Telecommunications, P.O. Box 72, Beijing 100876 (China); Wang, Shumin [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050 (China); Photonics Laboratory, Department of Microtechnology and Nanoscience, Chalmers University of Technology, 41296 Gothenburg (Sweden)

    2014-01-25

    Highlights: • Sb and Se spin–orbit coupling play a key role in the band structure. • Substituted Bi/Sb and Te/Se have a limited impact on the transport coefficients. • n-Type doping will be preferred for quaternary (Bi,Sb){sub 2}(Te,Se){sub 3} compound. -- Abstract: The quaternary (Bi,Sb){sub 2}(Te,Se){sub 3} compounds are investigated using first-principles study and Boltzmann transport theory. The energy band structure and density of states are studied in detail. The electronic transport coefficients are then calculated as a function of chemical potential. The figure of merit ZT is obtained assuming a constant relaxation time and an averaged thermal conductivity. Our theoretical result agrees well with previous experimental data.

  2. Thermoelectric properties of quaternary (Bi,Sb)2(Te,Se)3 compound

    International Nuclear Information System (INIS)

    Lu, Pengfei; Li, Yiluan; Wu, Chengjie; Yu, Zhongyuan; Cao, Huawei; Zhang, Xianlong; Cai, Ningning; Zhong, Xuxia; Wang, Shumin

    2014-01-01

    Highlights: • Sb and Se spin–orbit coupling play a key role in the band structure. • Substituted Bi/Sb and Te/Se have a limited impact on the transport coefficients. • n-Type doping will be preferred for quaternary (Bi,Sb) 2 (Te,Se) 3 compound. -- Abstract: The quaternary (Bi,Sb) 2 (Te,Se) 3 compounds are investigated using first-principles study and Boltzmann transport theory. The energy band structure and density of states are studied in detail. The electronic transport coefficients are then calculated as a function of chemical potential. The figure of merit ZT is obtained assuming a constant relaxation time and an averaged thermal conductivity. Our theoretical result agrees well with previous experimental data

  3. Magnetic structure of the YbMn2SbBi compound

    International Nuclear Information System (INIS)

    Morozkin, A.V.; Manfrinetti, P.

    2011-01-01

    Graphical abstract: Display Omitted Research highlights: → A neutron diffraction investigation in zero applied field of La 2 O 2 S-type YbMn 2 SbBi shows antiferromagnetic ordering below 138(3) K and ferrimagnetic ordering below 112(3) K. → Between 138 and 112 K, the magnetic structure of YbMn 2 SbBi consists of antiferromagnetically coupled ab-plane magnetic moments of the manganese atoms (D 1d magnetic point group). → Below 112(3) K, the magnetic structure of YbMn 2 SbBi becames the sum antiferromagnetic component with D 1d magnetic point group and ferromagnetic one with C 2 magnetic point group. → The magnitude of Yb and Mn magnetic moments in YbMn 2 SbBi at 2 K (M Yb = 3.6(2) μ B , M Mn = 3.5(2) μ B ) correspond to the trivalent state of the Yb ions and tetravalent state of the Mn ions. - Abstract: A neutron diffraction investigation has been carried out on the trigonal La 2 O 2 S-type (hP5, space group P3-bar ml, No. 164; also CaAl 2 Si 2 -type) YbMn 2 SbBi intermetallic compound. The YbMn 2 SbBi presents antiferromagnetic ordering below 138(3) K and ferrimagnetic ordering below 112(3) K. Between 138 and 112 K, the magnetic structure of YbMn 2 SbBi consists of antiferromagnetically coupled ab-plane magnetic moments of the manganese atoms (D 1d magnetic point group). Below 112(3) K, the ferromagnetic components of Yb and Mn begin to develop, and the magnetic structure of YbMn 2 SbBi becames the sum antiferromagnetic component with D 1d magnetic point group and ferromagnetic one with C 2 magnetic point group. The magnitude of Yb and Mn magnetic moments in YbMn 2 SbBi at 2 K (M Yb = 3.6(2) μ B , M Mn = 3.5(2) μ B ) correspond to the trivalent state of the Yb ions and tetravalent state of the Mn ions.

  4. Reduction in thermal conductivity of BiSbTe lump

    Energy Technology Data Exchange (ETDEWEB)

    Ahmad, Kaleem [King Saud University, Sustainable Energy Technologies Center, College of Engineering, PO Box 800, Riyadh (Saudi Arabia); Wan, C. [Tsinghua University, State Key Laboratory of New Ceramics and Fine Processing, School of Materials Science and Engineering, Beijing (China); Al-Eshaikh, M.A.; Kadachi, A.N. [King Saud University, Research Center, College of Engineering, PO Box 800, Riyadh (Saudi Arabia)

    2017-03-15

    In this work, systematic investigations on the thermal conductivities of BiSbTe lump, microstructured pristine BiSbTe bulk and single wall carbon nanotubes (SWCNTs)/BiSbTe bulk nanocomposites were performed. BiSbTe lumps were crushed to form a coarse powder (200 μm) and effect of particle size reduction on the effective thermal conductivity of BiSbTe (200 μm) bulk were analyzed. For further reduction in the conductivity, a two pronged strategy has been employed. First, additional refinement of BiSbTe (200 μm) were performed through ball milling in an inert environment. Second, SWCNTs in 0.75, and 1.0 vol% were distributed uniformly in the fine BiSbTe ball milled powder. The results showed that the effective thermal conductivities decrease with the reduction in the particle size from lump to BiSbTe (200 μm) bulk as well as with the addition of SWCNTs accompanied by further refinement of BiSbTe particles. The significant reduction in thermal conductivities of the lump was achieved for pure BiSbTe (200 μm) bulk and 0.75 vol% of SWCNTs/BiSbTe composite. This can be ascribed to the enhanced phonon scattering by the grain boundaries between the nanostructured BiSbTe particles as well as the interfaces between BiSbTe and the low dimensional carbon nanotubes. (orig.)

  5. The Quantum Chemistry Calculation and Thermoelectrics of Bi-Sb-Te Series

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The density function theory and discrete variation method(DFT-DVM) was used to study correlation between composition, structure, chemical bond,and property of thermoelectrics of Bi-Sb-Te series.8 models of Bi20-xSbxTe32(x=0,2,6,8,12,14,18 and 20) were calculated.The results show that there is less difference in the ionic bonds between Te(Ⅰ)-Bi(Sb) and Te(Ⅱ)-Bi(Sb), but the covalent bond of Te(Ⅰ)-Bi(Sb) is stronger than that of Te(Ⅱ)-Bi(Sb).The interaction between Te(Ⅰ) and Te(Ⅰ) in different layers is the weakest and the interaction should be Van Der Waals power.The charge of Sb is lower than that of Bi,and the ionic bond of Te-Sb is weaker than that of Te-Bi.The covalent bond of Te-Sb is also weaker than that of Te-Bi.Therefore,the thermoelectric property may be improved by adjusting the electrical conductivity and thermal conductivity through changing the composition in the compounds of Bi-Sb-Te. The calculated results are consistent with the experiments.

  6. Structural stability of ternary C22–Zr6X2Co (X=Al, Ga, Sn, As, Sb, Bi, Te) and C22–Zr6Sn2T′ (T′=Fe, Co, Ni, Cu) compounds

    International Nuclear Information System (INIS)

    Colinet, Catherine; Crivello, Jean-Claude; Tedenac, Jean-Claude

    2013-01-01

    The crystal and electronic structures, and the thermodynamic properties of Zr 6 X 2 Co (X=Al, Ga, Sn, As, Sb, Bi, Te) and Zr 6 Sn 2 T′ (T′=Fe, Co, Ni, Cu) ternary compounds in the Fe 2 P-type structure have been investigated by means of first principle calculations. The calculated structural parameters are in good agreement with the experimental data. The total electronic densities of states as well as the Bader charges of the atoms have been computed. Both electronic and size effects allow to explain the stability of the ternary Zr 6 X 2 Co (X=Al, Ga, Sn, As, Sb, Bi, Te) and Zr 6 Sn 2 T′ (T′=Fe, Co, Ni, Cu) compounds. - Graphical abstract: Valence charge electronic localization function (ELF) calculated for Zr 6 Sb 2 Co compound. Display Omitted - Highlights: • Structural stability of Zr 6 X 2 T′ compounds (X: p element, T′: late transition metal) in the Fe 2 P-type structure. • First principles calculation of lattice parameters and enthalpies of formation. • Electronic densities of state in the series Zr 6 Sn 2 T′ (T′=Fe, Co, Ni, Cu). • Electronic densities of state in the series Zr 6 X 2 Co (X=Al, Ga, Sn, As, Sb, Bi, Te)

  7. Microstructural and thermoelectric properties of p-type Te-doped Bi{sub 0.5}Sb{sub 1.5}Te{sub 3} and n-type SbI{sub 3}-doped Bi{sub 2}Te{sub 2.85}Se{sub 0.15} compounds

    Energy Technology Data Exchange (ETDEWEB)

    Seo, J; Park, K; Lee, C; Kim, J

    1997-07-01

    The p-type Te-doped Bi{sub 0.5}Sb{sub 1.5}Te{sub 3} and n-type SbI{sub 3}-doped Bi{sub 2}Te{sub 2.85}Se{sub 0.15} thermoelectric compounds were fabricated by hot pressing in the temperature range of 380 to 440 C under 200 MPa in Ar. Both the compounds were highly dense and showed high crystalline quality. The grains of the compounds were preferentially oriented and contained many dislocations through the hot pressing. The fracture path followed the transgranular cleavage planes, which are perpendicular to the c-axis. In addition, with increasing the pressing temperature, the figure of merit was increased. The highest values of figure of merit for the p- and n-type compounds, which were obtained at 420 C, were 2.69 x 10{sup {minus}3}/K and 2.35 x 10{sup {minus}3}/K, respectively.

  8. Photovoltaic applications of Cu(Sb,Bi)SM (M = Ag, Pb, Pt)

    Science.gov (United States)

    Tablero, C.

    2017-04-01

    Ternary Cu-(Sb,Bi)-S compounds are great absorbents of the solar radiation with a variety of applications including optoelectronic and photovoltaic applications. The analyses of several quaternary semiconductors derived from Cu-(Sb,Bi)-S materials is carried out using first-principles density-functional theory with orbital-dependent one-electron potentials. These analyses focus on the optoelectronic properties and the potential for solar cells. The optical properties are obtained from first-principles calculations, and split into inter- and intra-shell-species contributions in order to quantify the optical transitions responsible for the absorption. The absorption coefficients are then used as criteria to evaluate the efficiencies of these materials under several sunlight concentrations. The results indicate high energy photovoltaic conversion efficiency because of the large intra shell s-p absorption of the S and Sb or Bi atomic species.

  9. Bi-induced band gap reduction in epitaxial InSbBi alloys

    Energy Technology Data Exchange (ETDEWEB)

    Rajpalke, M. K.; Linhart, W. M.; Birkett, M.; Alaria, J.; Veal, T. D., E-mail: T.Veal@liverpool.ac.uk [Stephenson Institute for Renewable Energy and Department of Physics, School of Physical Sciences, University of Liverpool, Liverpool L69 7ZF (United Kingdom); Yu, K. M. [Materials Sciences Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, California 94720 (United States); Bomphrey, J. J.; Jones, T. S.; Ashwin, M. J., E-mail: M.J.Ashwin@warwick.ac.uk [Department of Chemistry, University of Warwick, Coventry CV4 7AL (United Kingdom); Sallis, S.; Piper, L. F. J. [Materials Science and Engineering, Binghamton University, Binghamton, New York 13902 (United States)

    2014-11-24

    The properties of molecular beam epitaxy-grown InSb{sub 1−x}Bi{sub x} alloys are investigated. Rutherford backscattering spectrometry shows that the Bi content increases from 0.6% for growth at 350 °C to 2.4% at 200 °C. X-ray diffraction indicates Bi-induced lattice dilation and suggests a zinc-blende InBi lattice parameter of 6.626 Å. Scanning electron microscopy reveals surface InSbBi nanostructures on the InSbBi films for the lowest growth temperatures, Bi droplets at intermediate temperatures, and smooth surfaces for the highest temperature. The room temperature optical absorption edge was found to change from 172 meV (7.2 μm) for InSb to ∼88 meV (14.1 μm) for InSb{sub 0.976}Bi{sub 0.024}, a reduction of ∼35 meV/%Bi.

  10. Thermodynamic stability studies of Ce-Sb compounds with Fe

    Science.gov (United States)

    Xie, Yi; Zhang, Jinsuo; Benson, Michael T.; Mariani, Robert D.

    2018-02-01

    Lanthanide fission products can migrate to the fuel periphery and react with cladding, causing fuel-cladding chemical interaction (FCCI). Adding a fuel additive dopant, such as Sb, can bind lanthanide, such as Ce, into metallic compounds and thus prevent migration. The present study focuses on the thermodynamic stability of Ce-Sb compounds when in contact with the major cladding constituent Fe by conducting diffusion couple tests. Ce-Sb compounds have shown high thermodynamic stability as they did not react with Fe. When Fe-Sb compounds contacted with Ce, Sb was separated out of Fe-Sb compounds and formed the more stable Ce-Sb compounds.

  11. Microstructure, mechanical properties, and thermoelectric properties of hot-extruded p-type Te-doped Bi{sub 0.5}Sb{sub 1.5}Te{sub 3} compounds

    Energy Technology Data Exchange (ETDEWEB)

    Park, K; Seo, J; Lee, C

    1997-07-01

    The p-type Bi{sub 0.5}Sb{sub 1.5}Te{sub 3} compounds with Te dopant (4.0 and 6.0 wt%) and without dopant were fabricated by hot extrusion in the temperature range of 300 to 510 C under an extrusion ratio of 20:1. The undoped and Te doped compounds were highly dense and showed high crystalline quality. The grains contained many dislocations and were fine equiaxed ({approximately}1.0 {micro}m) owing to the dynamic recrystallization during the extrusion. The hot extrusion gave rise to the preferred orientation of grains. The bending strength and the figure of merit of the undoped and Te doped compounds were increased with increasing the extrusion temperature. The Te dopant significantly increased the figure of merit. The values of the figure of merit of the undoped and 4.0 wt% Te-doped compounds hot extruded at 440 C were 2.11 x 10{sup {minus}3}/K and 2.94 x 10{sup {minus}3}/K, respectively.

  12. Lead activity in Pb-Sb-Bi alloys

    Directory of Open Access Journals (Sweden)

    A. S. Kholkina

    2014-11-01

    Full Text Available The present work is devoted to the study of lead thermodynamic activity in the Pb-Sb-Bi alloys. The method for EMF measurements of the concentration cell: (–Pb|KCl-PbCl2¦¦KCl-PbCl2|Pb-(Sb-Bi(+ was used. The obtained concentration dependences of the galvanic cell EMF are described by linear equations. The lead activity in the ternary liquid-metal alloy demonstrates insignificant negative deviations from the behavior of ideal solutions.

  13. Annealing effects on room temperature thermoelectric performance of p-type thermally evaporated Bi-Sb-Te thin films

    Science.gov (United States)

    Singh, Sukhdeep; Singh, Janpreet; Tripathi, S. K.

    2018-05-01

    Bismuth antimony telluride (Bi-Sb-Te) compounds have been investigated for the past many decades for thermoelectric (TE) power generation and cooling purpose. We synthesized this compound with a stoichiometry Bi1.2Sb0.8Te3 through melt cool technique and thin films of as synthesized material were deposited by thermal evaporation. The prime focus of the present work is to study the influence of annealing temperature on the room temperature (RT) power factor of thin films. Electrical conductivity and Seebeck coefficient were studied and power factors were calculated which showed a peak value at 323 K. The compounds performance is comparable to some very efficient Bi-Sb-Te reported stoichiometries at RT scale. The values observed show that material has an enormous potential for energy production at ambient temperature scales.

  14. (Tl, Sb) and (Tl, Bi) binary surface reconstructions on Ge(111) substrate

    Science.gov (United States)

    Gruznev, D. V.; Bondarenko, L. V.; Tupchaya, A. Y.; Yakovlev, A. A.; Mihalyuk, A. N.; Zotov, A. V.; Saranin, A. A.

    2018-03-01

    2D compounds made of Group-III and Group-V elements on the surface of silicon and germanium attract considerable attention due to prospects of creating III-V binary monolayers, which are predicted to hold advanced physical properties. In the present work, we have investigated two such systems, (Tl, Sb)/Ge(111) and (Tl, Bi)/Ge(111) using scanning tunneling microscopy, low energy electron diffraction observations and density-functional-theory calculations. In addition to the previously reported surface structures of 2D (Tl, Sb) and (Tl, Bi) compounds on Si(111), we found new ones, namely, √{ 7} × √{ 7} and 3 × 3. Formation processes and plausible models of their atomic arrangements are discussed.

  15. Hot pressing effect on (Bi0⋅25Sb0⋅75)2Te3 mechanical and ...

    Indian Academy of Sciences (India)

    Administrator

    Abstract. (Bi0⋅25Sb0⋅75)2Te3 thermoelectric material is a well known p type of compound that has higher fig- ... The crystal of this compound was prepared, pulverized in a particle .... ing fracture surfaces of the materials as shown in figures.

  16. Influence of Element Substitution on Corrosion Behavior of Bi2Te3-Based Compounds

    Science.gov (United States)

    Kohri, Hitoshi; Yagasaki, Takayoshi

    2018-02-01

    Atmospheric water may condense on the surface of Bi2Te3-based compounds constituting the Peltier module, depending on the operating environment used. In the stage of disposal, Bi2Te3-based compounds may come into contact with water in waste disposal sites. There are very few publications about the influence of condensed water on Peltier modules. Bi2Te3-Sb2Te3 or Bi2Te3-Bi2Se3 pseudo binary system compounds are used as p-type material or n-type material, respectively. The lattice distortion will be induced in the crystal of Bi2Te3-based compounds by element substitution due to the reduction in their thermal conductivity. However, the influence of element substitution on the corrosion behavior of Bi2Te3-based compounds remains unclear. In this study, the influence of element substitution on the corrosion behavior of Bi2Te3-based compounds with practical compositions has been investigated. Bi0.5Sb1.5Te3 or Bi2Te2.85Se0.15 was prepared by the vertical Bridgman method. The electrochemical properties at room temperature were evaluated by cyclic voltammetry in a standard three-electrode cell. The working electrolyte was a naturally aerated 0.6 or 3.0 mass% NaCl solution. From the tendency for corrosion potential for all the samples, the corrosion sensitivity of ternary compounds was slightly higher than that of binary compounds. From the trend of current density, it was found that Bi0.5Sb1.5Te3 had a corrosion resistance intermediate between Bi2Te3 and Sb2Te3. On the other hand, corrosion resistance was affected despite a small amount of Se substitution, and the corrosion resistance of Bi2Te2.85Se0.15 was close to or lower than that of Bi2Se3. From the observation results of the corrosion products, the trends of morphology and composition of corrosion products for Bi0.5Sb1.5Te3 or Bi2Te2.85Se0.15 were consistent with those of Sb2Te3 or Bi2Se3, respectively. From the results of x-ray photoelectron spectroscopy for the electrolyte after testing, the possibility that a

  17. Influence of Element Substitution on Corrosion Behavior of Bi2Te3-Based Compounds

    Science.gov (United States)

    Kohri, Hitoshi; Yagasaki, Takayoshi

    2018-06-01

    Atmospheric water may condense on the surface of Bi2Te3-based compounds constituting the Peltier module, depending on the operating environment used. In the stage of disposal, Bi2Te3-based compounds may come into contact with water in waste disposal sites. There are very few publications about the influence of condensed water on Peltier modules. Bi2Te3-Sb2Te3 or Bi2Te3-Bi2Se3 pseudo binary system compounds are used as p-type material or n-type material, respectively. The lattice distortion will be induced in the crystal of Bi2Te3-based compounds by element substitution due to the reduction in their thermal conductivity. However, the influence of element substitution on the corrosion behavior of Bi2Te3-based compounds remains unclear. In this study, the influence of element substitution on the corrosion behavior of Bi2Te3-based compounds with practical compositions has been investigated. Bi0.5Sb1.5Te3 or Bi2Te2.85Se0.15 was prepared by the vertical Bridgman method. The electrochemical properties at room temperature were evaluated by cyclic voltammetry in a standard three-electrode cell. The working electrolyte was a naturally aerated 0.6 or 3.0 mass% NaCl solution. From the tendency for corrosion potential for all the samples, the corrosion sensitivity of ternary compounds was slightly higher than that of binary compounds. From the trend of current density, it was found that Bi0.5Sb1.5Te3 had a corrosion resistance intermediate between Bi2Te3 and Sb2Te3. On the other hand, corrosion resistance was affected despite a small amount of Se substitution, and the corrosion resistance of Bi2Te2.85Se0.15 was close to or lower than that of Bi2Se3. From the observation results of the corrosion products, the trends of morphology and composition of corrosion products for Bi0.5Sb1.5Te3 or Bi2Te2.85Se0.15 were consistent with those of Sb2Te3 or Bi2Se3, respectively. From the results of x-ray photoelectron spectroscopy for the electrolyte after testing, the possibility that a

  18. Structural stability of ternary C22–Zr{sub 6}X{sub 2}Co (X=Al, Ga, Sn, As, Sb, Bi, Te) and C22–Zr{sub 6}Sn{sub 2}T′ (T′=Fe, Co, Ni, Cu) compounds

    Energy Technology Data Exchange (ETDEWEB)

    Colinet, Catherine, E-mail: ccolinet@simap.grenoble-inp.fr [Science et Ingénierie des Matériaux et Procédés, Grenoble INP, UJF, CNRS, 38402 Saint Martin d’Hères, Cedex (France); Crivello, Jean-Claude [ICMPE-CMTR, CNRS UMR-7182, 2-8 rue Henri Dunant, 94320 Thiais (France); Tedenac, Jean-Claude [Institut de Chimie Moléculaire et des Matériaux I.C.G., UMR-CNRS 5253, Université Montpellier II, Place E. Bataillon, 34095 Montpellier Cedex 5 (France)

    2013-09-15

    The crystal and electronic structures, and the thermodynamic properties of Zr{sub 6}X{sub 2}Co (X=Al, Ga, Sn, As, Sb, Bi, Te) and Zr{sub 6}Sn{sub 2}T′ (T′=Fe, Co, Ni, Cu) ternary compounds in the Fe{sub 2}P-type structure have been investigated by means of first principle calculations. The calculated structural parameters are in good agreement with the experimental data. The total electronic densities of states as well as the Bader charges of the atoms have been computed. Both electronic and size effects allow to explain the stability of the ternary Zr{sub 6}X{sub 2}Co (X=Al, Ga, Sn, As, Sb, Bi, Te) and Zr{sub 6}Sn{sub 2}T′ (T′=Fe, Co, Ni, Cu) compounds. - Graphical abstract: Valence charge electronic localization function (ELF) calculated for Zr{sub 6}Sb{sub 2}Co compound. Display Omitted - Highlights: • Structural stability of Zr{sub 6}X{sub 2}T′ compounds (X: p element, T′: late transition metal) in the Fe{sub 2}P-type structure. • First principles calculation of lattice parameters and enthalpies of formation. • Electronic densities of state in the series Zr{sub 6}Sn{sub 2}T′ (T′=Fe, Co, Ni, Cu). • Electronic densities of state in the series Zr{sub 6}X{sub 2}Co (X=Al, Ga, Sn, As, Sb, Bi, Te)

  19. Hot pressing effect on (Bi 0.25 Sb 0.75 ) 2 Te 3 mechanical and ...

    Indian Academy of Sciences (India)

    Hot pressing effect on (Bi0.25Sb0.75)2Te3 mechanical and thermoelectric properties ... The crystal of this compound was prepared, pulverized in a particle size ratio of 64% ... microscopy and, for only once successful attempt, atomic force microscopy. The acquired images ensured to show homogeneous structures for hot ...

  20. Solid state compatibility in the ZnO-rich region of ZnO-Bi2O3-Sb2O3 and ZnO-Bi2O3-Sb2O5 systems

    Directory of Open Access Journals (Sweden)

    Jardiel, T.

    2010-04-01

    Full Text Available The obtaining of ZnO-Bi2O3-Sb2O3 (ZBS based varistor thick films with high non-linear properties is constrained by the bismuth loss by vaporization that takes place during the sintering step of these ceramics, a process which is yet more critical in the thick film geometry due to its inherent high are/volume ratio. This volatilization can be controlled to a certain extent by modifying the proportions of the Bi and/or Sb precursors. Obviously this requires a clear knowledge of the different solid state compatibilities in the mentioned ZBS system. In this sense a detailed study of the thermal evolution of the ZnO-Bi2O3-Sb2O3 and ZnO-Bi2O3-Sb2O5 systems in the ZnO-rich region of interest for varistors, is presented in this contribution. A different behaviour is observed when using Sb2O3 or Sb2O5 as starting precursor, which should be attributed to the oxidation process experimented by Sb2O3 compound during the heating. On the other hand the use of high amounts of Bi in the starting formulation leads to the formation of a liquid phase at lower temperatures, which would allow the use of lower sintering temperatures.La obtención de varistors en lámina gruesa basados en ZnO-Bi2O3-Sb2O3 (ZBS y con propiedades altamente no-lineales está limitada por la perdida de bismuto por volatilización durante la sinterización de estos cerámicos, un proceso que es todavía más crítico en la geometría de lámina gruesa debido a su elevada relación área/volumen inherente. Dicha volatilización puede ser no obstante controlada hasta cierta extensión modificando las proporciones de los precursores de Bi y/o Sb. Obviamente ello conlleva un amplio conocimiento de las diferentes compatibilidades en estado sólido en el mencionado sistema ZBS. En este sentido, en la presente contribución se presenta un estudio detallado de la evolución térmica de los sistemas ZnO-Bi2O3-Sb2O3 y ZnO-Bi2O3-Sb2O5 en la región rica en ZnO de interés para varistores. Como

  1. Infrared absorption in pseudobinary InSb1-xBix compounds

    International Nuclear Information System (INIS)

    El-Den, M.B.; Mina, N.K.; Samy, A.M.; El-Mously, M.K.

    1988-08-01

    The group III-V pseudobinary InSb 1-x Bi x compounds, with x = 0, 0.2 and 0.04, were prepared in thin ribbon forms (30 μ) by splat cooling in air. The optical absorption α(λ) was measured in the wavelength range from 4 to 15 μm. The optical energy gap E opt. , was calculated for the three compounds. A shift of the absorption edge towards longer wavelengths with increasing Bi content was observed. (author). 7 refs, 4 figs

  2. Emergence of topological and topological crystalline phases in TlBiS2 and TlSbS2

    KAUST Repository

    Zhang, Qingyun; Cheng, Yingchun; Schwingenschlö gl, Udo

    2015-01-01

    Using first-principles calculations, we investigate the band structure evolution and topological phase transitions in TlBiS2 and TlSbS2 under hydrostatic pressure as well as uniaxial and biaxial strain. The phase transitions are identified by parity analysis and by calculating the surface states. Zero, one, and four Dirac cones are found for the (111) surfaces of both TlBiS2 and TlSbS2 when the pressure grows, which confirms trivial-nontrivial-trivial phase transitions. The Dirac cones at the (M) over bar points are anisotropic with large out-of-plane component. TlBiS2 shows normal, topological, and topological crystalline insulator phases under hydrostatic pressure, thus being the first compound to exhibit a phase transition from a topological to a topological crystalline insulator.

  3. Emergence of topological and topological crystalline phases in TlBiS2 and TlSbS2

    KAUST Repository

    Zhang, Qingyun

    2015-02-11

    Using first-principles calculations, we investigate the band structure evolution and topological phase transitions in TlBiS2 and TlSbS2 under hydrostatic pressure as well as uniaxial and biaxial strain. The phase transitions are identified by parity analysis and by calculating the surface states. Zero, one, and four Dirac cones are found for the (111) surfaces of both TlBiS2 and TlSbS2 when the pressure grows, which confirms trivial-nontrivial-trivial phase transitions. The Dirac cones at the (M) over bar points are anisotropic with large out-of-plane component. TlBiS2 shows normal, topological, and topological crystalline insulator phases under hydrostatic pressure, thus being the first compound to exhibit a phase transition from a topological to a topological crystalline insulator.

  4. Fermi surfaces of the pyrite-type cubic AuSb2 compared with split Fermi surfaces of the ullmannite-type cubic chiral NiSbS and PdBiSe

    Science.gov (United States)

    Nishimura, K.; Kakihana, M.; Nakamura, A.; Aoki, D.; Harima, H.; Hedo, M.; Nakama, T.; Ōnuki, Y.

    2018-05-01

    We grew high-quality single crystals of AuSb2 with the pyrite (FeS2)-type cubic structure by the Bridgman method and studied the Fermi surface properties by the de Haas-van Alphen (dHvA) experiment and the full potential LAPW band calculation. The Fermi surfaces of AuSb2 are found to be similar to those of NiSbS and PdBiSe with the ullmannite (NiSbS)-type cubic chiral structure because the crystal structures are similar each other and the number of valence electrons is the same between two different compounds. Note that each Fermi surface splits into two Fermi surfaces in NiSbS and PdBiSe, reflecting the non-centrosymmetric crystal structure.

  5. Synthesis, crystal structure, and magnetic properties of quaternary iron selenides: Ba{sub 2}FePnSe{sub 5} (Pn=Sb, Bi)

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jian; Greenfield, Joshua T.; Kovnir, Kirill

    2016-10-15

    Two new barium iron pnictide–selenides, Ba{sub 2}FeSbSe{sub 5} and Ba{sub 2}FeBiSe{sub 5}, were synthesized by a high-temperature solid-state route and their crystal structures were determined using single crystal X-ray diffraction. Both compounds are isomorphic to the high pressure phase Ba{sub 3}FeS{sub 5} and crystallize in the orthorhombic space group Pnma (No. 62) with cell parameters of a=12.603(2)/12.619(2) Å, b=9.106(1)/9.183(1) Å, c=9.145(1)/9.123(1) Å and Z=4 for Ba{sub 2}FeSbSe{sub 5} and Ba{sub 2}FeBiSe{sub 5}, respectively. According to differential scanning calorimetry, Ba{sub 2}FePnSe{sub 5} compounds exhibit high thermal stability and melt congruently at 1055(5) K (Pn=Sb) and 1105(5) K (Pn=Bi). Magnetic characterizations reveal strong antiferromagnetic nearest-neighbor interactions in both compounds resulting in an antiferromagnetic ordering at 58(1) K for Ba{sub 2}FeSbSe{sub 5} and 79(2) K for Ba{sub 2}FeBiSe{sub 5}. The magnetic interactions between Fe{sup 3+} centers, which are at least 6 Å apart from each other, are mediated by superexchange interactions. - Graphical abstract: In Ba{sub 2}FeSbSe{sub 5} and Ba{sub 2}FeBiSe{sub 5} the magnetic interactions between Fe{sup 3+} centers, which are at least 6 Å apart from each other, are mediated by superexchange interactions. - Highlights: • New compounds Ba{sub 2}FeSbSe{sub 5} and Ba{sub 2}FeBiSe{sub 5} have been synthesized. • The crystal structure was determined by single crystal X-ray diffraction. • Both compounds melt congruently at temperatures above 1000 K. • Ba{sub 2}FeSbSe{sub 5} and Ba{sub 2}FeBiSe{sub 5} exhibit AFM ordering at 58 K (Sb) and 70 K (Bi). • Magnetic exchange between Fe{sup 3+} is mediated by either Se–Sb(Bi)–Se or Se–Ba–Se bridges.

  6. High thermoelectric properties of (Sb, Bi)2Te3 nanowire arrays by tilt-structure engineering

    Science.gov (United States)

    Tan, Ming; Hao, Yanming; Deng, Yuan; Chen, Jingyi

    2018-06-01

    In this paper, we present an innovative tilt-structure design concept for (Sb, Bi)2Te3 nanowire array assembled by high-quality nanowires with well oriented growth, utilizing a simple vacuum thermal evaporation technique. The unusual tilt-structure (Sb, Bi)2Te3 nanowire array with a tilted angle of 45° exhibits a high thermoelectric dimensionless figure-of-merit ZT = 1.72 at room temperature. The relatively high ZT value in contrast to that of previously reported (Sb, Bi)2Te3 materials and the vertical (Sb, Bi)2Te3 nanowire arrays evidently reveals the crucial role of the unique tilt-structure in favorably influencing carrier and phonon transport properties, resulting in a significantly improved ZT value. The transport mechanism of such tilt-structure is proposed and investigated. This method opens a new approach to optimize nano-structure in thin films for next-generation thermoelectric materials and devices.

  7. Crystallographic study of the intermediate compounds SbZn, Sb3Zn4 and Sb2Zn3

    International Nuclear Information System (INIS)

    Adjadj, Fouzia; Belbacha, El-djemai; Bouharkat, Malek; Kerboub, Abdellah

    2006-01-01

    The processes of development of semiconductor ceramics made up of bismuth, antimony and zinc often require during their preparation to know the nature of the involved phases. For that, it is always essential to refer to the diagrams of balance between phases of the binary systems or ternary. We presented in this work the study by X-rays diffraction relating to the intermediate compounds SbZn, Sb 3 Zn 4 and Sb 2 Zn 3 . The analysis by X-rays is often useful to give supplement the results of the other experimental methods

  8. Synthesis, Structural and Antibacterial Studies of New Dithiocarbamate Complexes of Sb (III) And Bi (III)

    International Nuclear Information System (INIS)

    Nur Amirah Jamaluddin; Ibrahim Baba; Nazlina Ibrahim

    2014-01-01

    Six new dithiocarbamate complexes from three different amines, for example N-ethyl ethanol-, N-butylethyl- and N-benzylmethylamine were successfully prepared using in situ method. All complexes were characterized by elemental analysis, IR, UV-Vis, 13 C and 1 H NMR. Elemental analysis data (C, H, N and S) showed an agreement with the general formula of MCl(S 2 CNR ' R '' ) 2 , (M = Sb (III), Bi (III); R ' = ethyl, butyl and benzyl; R '' = ethanol, ethyl and methyl). The complexes had been characterized by infrared spectroscopy that showed a thioureido bands, v(C-N) in the region of 1427 - 1490 cm -1 followed by v(C-S) bands that can be seen in the region of 935 - 1060 cm -1 and v(M-S) bands existed in the region of 350 - 392 cm -1 . Maximum wavelength absorption for ultraviolet-visible spectroscopy for N-C-S group was at 254 nm which indicates π → π * transition. Data from 13 C NMR showed a signal in the region of 198.39 - 199.44 ppm that corresponded to the NCS 2 group. The crystal structure of bis(N,N ' utylethyldithiocarbamato)chloride antimony (III), SbCl (S 2 CN(C 4 H 9 )(C 2 H 5 )) 2 demonstrated a five-coordination geometry, triclinic system, space group P1 with a = 10.0141(8) Armstrong, b = 10.1394(7) Am strong, c = 11.8665(9) Armstrong, α = 67.960(2) degree, β = 87.616(2) degree and γ = 80.172(2) degree. Minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) tests were done using five dithiocarbamate complexes which are Bi Cl[S 2 CN(C 2 H 5 )(C 2 H 4 OH)) 2 , SbCl[S 2 CN(C 2 H 5 )(C 2 H 4 OH)) 2 , Bi Cl(S 2 CN(C 4 H 9 )(C 2 H 5 )) 2 , SbCl(S 2 CN(C 4 H 9 )(C 2 H 5 )) 2 , Bi Cl(S 2 CN(C 7 H 7 )(CH 3 )) 2 towards S. aureus, S. epidermidis, E. aerogenes and E. coli. It was found that all four complexes were active against S. aureus except SbCl(S 2 CN(C 2 H 5 )(C 2 H 4 OH)) 2 while Bi Cl(S 2 CN(C 7 H 7 )(CH 3 )) 2 and Bi Cl(S 2 CN(CH 3 )(C 6 H 11 )) 2 complexes were active against S. epidermidis with MIC value of 5.0 mg/ m

  9. Density functional study of BiSbTeSe{sub 2} topological insulator thin films

    Energy Technology Data Exchange (ETDEWEB)

    Mohammadpourrad, Zahra; Abolhassani, Mohammadreza [Department of Physics, Science and Research Branch, Islamic Azad University, Tehran (Iran, Islamic Republic of)

    2017-08-15

    In this work, using density functional theory calculations, we have investigated the band topology of bulk BiSbTeSe{sub 2} and its thin film electronic properties in several thicknesses. It is one member of the quaternary compounds Bi{sub 2-x}Sb{sub x}Te{sub 3-y}Se{sub y} (BSTS) with the best intrinsic bulk insulating behavior. Based on our calculations we have found that a band inversion at Γ-point is induced when spin-orbit coupling is turned on, with an energy gap of about 0.318 eV. The film thickness has an effect on the surface states such that a gap opens at Dirac point in 6 quintuple-layers film and with decrease in thickness, the magnitude of the gap increases. The atomic contributions have been mapped out for the first few layers of thin films to demonstrate the surface states. The relative charge density has been calculated layer-wise and the penetration depth of the surface states into the bulk region is found to be about 2.5-3.5 quintuple layers, depending on the termination species of thin films. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  10. Magnetic and structural properties of Bi(2223doped by pb and Sb

    Directory of Open Access Journals (Sweden)

    H. Salamati

    1998-04-01

    Full Text Available   In a systematic approach, we have investigated the effect of the presence of Pb and Sb in the Bi site in a BSCCO (2223 phase superconductor. There are some contradictory reports in substitution of Sb in the Bi site. Some researchers report an increase in the Tc of these materials. So, we have made an accurate stoichiometry of these superconductors and selected extra pure starting materials with appropriate ratios of Pb+Sb.   The susceptility of these samples have been measured and the structures of the systems have been studied by SEM and XRD. The results of this investigation show that, Although the presence of Pb is essential for formation of (2223 phase, but addition of small amount of Sb helps to stabilize and enhance the ratio of higher phase. Our results show that, presence of Sb would raise the critical current density, but would not affect the Tc of these superconductors.

  11. Thermal Stability of P-Type BiSbTe Alloys Prepared by Melt Spinning and Rapid Sintering

    Directory of Open Access Journals (Sweden)

    Yun Zheng

    2017-06-01

    Full Text Available P-type BiSbTe alloys have been widely implemented in waste heat recovery from low-grade heat sources below 600 K, which may involve assorted environments and conditions, such as long-term service, high-temperature exposure (generally 473–573 K and mechanical forces. It is important to evaluate the service performance of these materials in order to prevent possible failures in advance and extend the life cycle. In this study, p-type Bi0.5Sb1.5Te3 commercial zone-melting (ZM ingots were processed by melt spinning and subsequent plasma-activated sintering (MS-PAS, and were then subjected to vacuum-annealing at 473 and 573 K, respectively, for one week. The results show that MS-PAS samples exhibit excellent thermal stability when annealed at 473 K. However, thermal annealing at 573 K for MS-PAS specimens leads to the distinct sublimation of the element Te, which degrades the hole concentration remarkably and results in inferior thermoelectric performance. Furthermore, MS-PAS samples annealed at 473 K demonstrate a slight enhancement in flexural and compressive strengths, probably due to the reduction of residual stress induced during the sintering process. The current work guides the reliable application of p-type Bi0.5Sb1.5Te3 compounds prepared by the MS-PAS technique.

  12. Study of Sb/SnO{sub 2} bi-layer films prepared by ion beam sputtering deposition technique

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Chun-Min [Department of Materials Science and Engineering, National Cheng Kung University, Tainan 701, Taiwan, ROC (China); Huang, Chun-Chieh [Department of Electrical Engineering, Cheng Shiu University, No. 840, Chengcing Road, Niaosong Township, Kaohsiung 833, Taiwan, ROC (China); Kuo, Jui-Chao [Department of Materials Science and Engineering, National Cheng Kung University, Tainan 701, Taiwan, ROC (China); Huang, Jow-Lay, E-mail: jlh888@mail.ncku.edu.tw [Department of Materials Science and Engineering, National Cheng Kung University, Tainan 701, Taiwan, ROC (China); Department of Chemical and Materials Engineering, National University of Kaohsiung, Kaohsiung 811, Taiwan, ROC (China); Research Center for Energy Technology and Strategy, National Cheng Kung University, Tainan 701, Taiwan, ROC (China)

    2014-11-03

    In the present work, bi-layer thin films of Sb/SnO{sub 2} were produced on unheated glass substrates using ion beam sputtering (IBS) technique without post annealing treatment. The thickness of Sb layers was varied from 2 to 10 nm and the Sb layers were deposited on SnO{sub 2} layers having thicknesses of 40 nm to 115 nm. The effect of thickness was studied on the morphological, electrical and optical properties. The Sb/SnO{sub 2} bi-layer resulted in lowering the electrical resistivity as well as reducing the optical transmittance. However, the optical and electrical properties of the bi-layer films were mainly influenced by the thickness of Sb layers due to progressive transfer in structures from aggregate to continuous films. The bi-layer films show the electrical resistivity of 1.4 × 10{sup −3} Ω cm and an optical transmittance of 26% for Sb film having 10 nm thickness. - Highlights: • Bi-layer Sb/SnO{sub 2} structures were synthesized by ion beam sputtering (IBS) technique. • The 6 nm-thick Sb film is a transition region in this study. • The conductivity of the bi-layer films is increased as Sb thickness increases. • The transmittance of the bi-layer films is decreased as Sb thickness increases.

  13. Constructing anisotropic single-Dirac-cones in Bi(1-x)Sb(x) thin films.

    Science.gov (United States)

    Tang, Shuang; Dresselhaus, Mildred S

    2012-04-11

    The electronic band structures of Bi(1-x)Sb(x) thin films can be varied as a function of temperature, pressure, stoichiometry, film thickness, and growth orientation. We here show how different anisotropic single-Dirac-cones can be constructed in a Bi(1-x)Sb(x) thin film for different applications or research purposes. For predicting anisotropic single-Dirac-cones, we have developed an iterative-two-dimensional-two-band model to get a consistent inverse-effective-mass-tensor and band gap, which can be used in a general two-dimensional system that has a nonparabolic dispersion relation as in the Bi(1-x)Sb(x) thin film system. © 2012 American Chemical Society

  14. Development of Bi-Sb-Te ternary alloy with compositionally graded structure

    Energy Technology Data Exchange (ETDEWEB)

    Yamamoto, A; Ohta, T

    1997-07-01

    Compositionally graded p-type Bi-Sb-Te thermoelectric material was synthesized by PIES (Pulverized and Intermixed Elements Sintering) method. The materials consisted of three segmented regions of different alloy composition, i.e., y = 0.8/0.825/0.9 in (Bi{sub 2}Te{sub 3}){sub 1{minus}y} (Sb{sub 2}Te{sub 3}){sub y} system. It was found that the electrical power output of the compositionally graded material was larger than that of the best single composition material when the temperature difference was the designed value.

  15. Equilibrium state of delta-phase with tellurium in the Sb-Bi-Te system

    International Nuclear Information System (INIS)

    Gajgukova, V.S.; Dudkin, L.D.; Erofeev, R.S.; Musaelyan, V.V.; Nadzhip, A.Eh.; Sokolov, O.B.

    1978-01-01

    A research has been carried out with a view to establish the equilibrium state of delta-phase of the composition (Sbsub(1-x)Bisub(x)) 2 Te 3 with tellurium, depending on x and temperature. The Hall effect, the thermoelectromotive force, and the electric conductivity of the samples of Sb-Bi-Te alloys have been measured, the samples being annealed at various temperatures (550 to 250 deg C). The measurement results have shown that as the Bi 2 Te 3 content in the solid solutions increases and temperature decreases, the delta-phase-Te boundary monotonously approaches the stoichiometric composition. Using the research carrid out as the basis, the general character of the equilibrium delta-phase with tellurium boundary has been rendered more precise in Sb-Bi-Te system, depending on the temperature and Bi content (up to 25 at.%)

  16. Electron Microscopy investigation of Sb{sub 2-x}Bi{sub x}Te{sub 3} hexagonal crystal structure growth prepared from sol–gel method

    Energy Technology Data Exchange (ETDEWEB)

    Tongpeng, Suparat [Center of Excellence for Innovation in Chemistry (PERCH-CIC), Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Sarakonsri, Thapanee, E-mail: tsarakonsri@gmail.com [Center of Excellence for Innovation in Chemistry (PERCH-CIC), Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Materials Science Research Center, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Isoda, Seiji [Institute for Integrated Cell-Materials Sciences (iCeMS), Kyoto University (Japan); Haruta, Mitsutaka; Kurata, Hiroki [Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011 (Japan); Thanachayanont, Chanchana [National Metal and Materials Technology Center, 114 Thailand Science Park, Paholyothin Rd., Klong 1, KlongLuang, Pathumthani (Thailand)

    2015-11-01

    SbBi – Te ternary compounds, with ZT values (unitless figure of merit for semiconductor materials) as high as 1.28, have long been known as the best thermoelectric materials for use in thermoelectric cooling and power generation operated near room temperature. In this research, p-type Sb{sub 2-x}Bi{sub x}Te{sub 3} (x = 0, 0.2, 0.4, 0.6, 0.8, and 1.0) compounds were synthesized by sol–gel method using bismuth (III) acetate, antimony (III) acetate and tellurium dioxide as precursors. The mole ratio of metal precursor: solvent: organic solvent was 1:60:4. The obtained gels of Sb{sub 2-x}Bi{sub x}Te{sub 3} were annealed to complete the synthesis at 773 K for 2 h under nitrogen atmosphere. Sb{sub 2}Te{sub 3}, Sb{sub 1.6}Bi{sub 0.4}Te{sub 3}, and SbBiTe{sub 3} compounds were observed by X-ray Diffraction (XRD) as main phases in samples with x = 0–0.2, 0.4–0.6, and 0.8–1.0, respectively. An increase in the lattice parameter a suggested an expansion of unit cells, due to the substitution of Bi in Sb crystallographic positions. The morphology, as revealed by Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM) images, is one of aligned hexagonal nanosheets, while the Selected Area Diffraction (SAD) patterns matched well with the phases characterized by XRD. - Highlights: • Sb{sub 2-x}Bi{sub x}Te{sub 3} (x = 0.0–1.0) hexagonal nanosheets were prepared by sol–gel method. • It is the simple and economic method with the first time reported for these structures. • High crystallinity hexagonal nanosheets were oriented into small bundles form. • It is expected to have a high ZT value at room temperature.

  17. Strain effects in topological insulators: Topological order and the emergence of switchable topological interface states in Sb2Te3/Bi2Te3 heterojunctions

    Science.gov (United States)

    Aramberri, H.; Muñoz, M. C.

    2017-05-01

    We investigate the effects of strain on the topological order of the Bi2Se3 family of topological insulators by ab initio first-principles methods. Strain can induce a topological phase transition and we present the phase diagram for the 3D topological insulators, Bi2Te3 , Sb2Te3 , Bi2Se3 , and Sb2Se3 , under combined uniaxial and biaxial strain. Their phase diagram is universal and shows metallic and insulating phases, both topologically trivial and nontrivial. In particular, uniaxial tension can drive the four compounds into a topologically trivial insulating phase. We propose a Sb2Te3/Bi2Te3 heterojunction in which a strain-induced topological interface state arises in the common gap of this normal insulator-topological insulator heterojunction. Unexpectedly, the interface state is confined in the topologically trivial subsystem and is physically protected from ambient impurities. It can be switched on or off by means of uniaxial strain and therefore Sb2Te3 /Bi2Te3 heterojunctions provide a topological system which hosts tunable robust helical interface states with promising spintronic applications.

  18. Molecular beam epitaxy growth of InSb1-xBix thin films

    DEFF Research Database (Denmark)

    Yuxin Song; Shumin Wang; Saha Roy, Ivy

    2013-01-01

    Molecular beam epitaxy growth for InSb1-xBix thin films on (100) GaAs substrates is reported. Successful Bi incorporation for 2% is achieved, and up to 70% of the incorporated Bi atoms are at substitutional sites. The effects of growth parameters on Bi incorporation and surface morphology are stu...

  19. Actinide-pnictide (An-Pn) bonds spanning non-metal, metalloid, and metal combinations (An=U, Th; Pn=P, As, Sb, Bi)

    Energy Technology Data Exchange (ETDEWEB)

    Rookes, Thomas M.; Wildman, Elizabeth P.; Gardner, Benedict M.; Wooles, Ashley J.; Gregson, Matthew; Tuna, Floriana; Liddle, Stephen T. [School of Chemistry, The University of Manchester (United Kingdom); Balazs, Gabor; Scheer, Manfred [Institute of Inorganic Chemistry, University of Regensburg (Germany)

    2018-01-26

    The synthesis and characterisation is presented of the compounds [An(Tren{sup DMBS}){Pn(SiMe_3)_2}] and [An(Tren{sup TIPS}){Pn(SiMe_3)_2}] [Tren{sup DMBS}=N(CH{sub 2}CH{sub 2}NSiMe{sub 2}Bu{sup t}){sub 3}, An=U, Pn=P, As, Sb, Bi; An=Th, Pn=P, As; Tren{sup TIPS}=N(CH{sub 2}CH{sub 2}NSiPr{sup i}{sub 3}){sub 3}, An=U, Pn=P, As, Sb; An=Th, Pn=P, As, Sb]. The U-Sb and Th-Sb moieties are unprecedented examples of any kind of An-Sb molecular bond, and the U-Bi bond is the first two-centre-two-electron (2c-2e) one. The Th-Bi combination was too unstable to isolate, underscoring the fragility of these linkages. However, the U-Bi complex is the heaviest 2c-2e pairing of two elements involving an actinide on a macroscopic scale under ambient conditions, and this is exceeded only by An-An pairings prepared under cryogenic matrix isolation conditions. Thermolysis and photolysis experiments suggest that the U-Pn bonds degrade by homolytic bond cleavage, whereas the more redox-robust thorium compounds engage in an acid-base/dehydrocoupling route. (copyright 2018 The Authors. Published by Wiley-VCH Verlag GmbH and Co. KGaA.)

  20. Effect of Varying Pnictogen Elements (Pn=N, P, As, Sb, Bi) on the Optoelectronic Properties of SrZn2Pn2

    Science.gov (United States)

    Murtaza, G.; Yousaf, N.; Laref, A.; Yaseen, M.

    2018-03-01

    Pnictogen-based Zintl compounds have fascinating properties. Nowadays these compounds have gained exceptional interest in thermoelectric and optoelectronic fields. Therefore, in this work the structural, electronic and optical properties of SrZn2Pn2 (Pn=N, P, As, Sb, Bi) compounds were studied using state-of-the-art density functional theory. The optimised lattice parameters (ɑ, c, c/ɑ and bond lengths) are consistent with the experimental results. The bulk moduli and c/a showed a decrease when changing the Pnictogen (Pn) anion from N to Bi in SrZn2Pn2 (Pn=N, P, As, Sb, Bi). The modified Becke-Johnson potential is used for band structure calculations. All compounds show semiconducting behaviour except SrZn2Bi2, which is metallic. Pn-p, Zn-d and Sr-d play an important role in defining the electronic structure of the compounds. The optical conductivity and absorption coefficient strength are high in visible and ultraviolet regions. These band structures and optical properties clearly show that SrZn2Pn2 compounds are potential candidates in the fields of optoelectronic and photonic devices.

  1. Evidence for surface-generated photocurrent in (Bi,Sb)2Se3and(Bi,Sb)2Te3 thin films

    Science.gov (United States)

    Pan, Yu; Richardella, Anthony; Yao, Bing; Lee, Joon Sue; Flanagan, Thomas; Kandala, Abhinav; Samarth, Nitin; Yeats, Andrew; Mintun, Peter; Awschalom, David

    2015-03-01

    Illumination with circularly polarized light is known produce a helicity-dependent photocurrent in topological insulators such as Bi2Se3 [e.g. Nature Nanotech. 7, 96 (2012)]. However, the exact origin of this effect is still unclear since it is observed with photons well above the bulk band gap. We report measurements of the polarization-dependent photocurrent in a series of (Bi,Sb)2Se3 thin films with different carrier concentrations and find that the photocurrent is enhanced as we increase the population of the surface states. This finding is supported by a study of helicity-dependent photocurrents in back-gated (Bi,Sb)2Te3 thin films, where the chemical potential is varied electrostatically. By illuminating our samples at different wavelengths, we show that the helicity-dependent photocurrent is enhanced when the photon energy approaches the energy difference between the lowest and first excited (unoccupied) topological surface states. This leads us to attribute the helicity-dependent photocurrent in topological insulators to optical excitations between these two spin-textured surface states. We will also discuss experiments imaging the spatial variation of these helicity-dependent photocurrents. This work is supported by ONR.

  2. Photoemission of heavy fermion superconductor PrOs4Sb12 and other Pr compounds

    International Nuclear Information System (INIS)

    Imada, S.; Yamasaki, A.; Sekiyama, A.; Settai, R.; Onuki, Y.; Suga, S.; Sugawara, H.; Sato, H.; Ochiai, A.

    2004-01-01

    Full text: Strongly correlated electronic states due to Pr 4f electrons found in several Pr compounds have recently been attracting much attention. The Pr 4f electrons are much more localized than in Ce due to the lanthanoid contraction. Therefore, the number of the Pr systems that show strong electron correlation is much smaller than Ce systems. We will present a comparative study of Pr 4f electronic states in such systems as the heavy fermion superconductor PrOs 4 Sb 12 , the Kondo system PrSn 3 and the localized 4f systems Pr 4 X 3 (X = Sb and Bi). The Pr 4f electronic state was probed by means of the Pr 3d → 4f resonant photoemission (RPES). Because the kinetic energy (E K ) of the photoelectrons is as high as ∼ 900 eV, this method is much more bulk sensitive than the 4d → 4f RPES with E K ∼ 100 eV. The energy resolution could be set to about 100 meV by utilizing the soft X-rays from BL25SU in SPring-8 and the SCIENTA SES-200 analyzer. The Pr 4f excitation spectrum of PrSn 3 was found to show a very strong intensity at the Fermi level (E F ). This can be interpreted as the Kondo resonance which has been observed in the Kondo Ce and Yb compounds. In the Pr 4f spectrum of the heavy fermion superconductor PrOs 4 Sb 12 , the intensity at E F was smaller than in PrSn 3 . This clearly shows that the Kondo temperature (T K ) is much lower in PrOs 4 Sb 12 than in PrSn 3 . We have further found a strong excitation energy dependence in the RPES line shape. In the case of Pr 4 X 3 (X = Sb and Bi), the intensity at E B was much smaller than PrSn 3 and PrOs 4 Sb 12 , which is consistent with the localized character of Pr 4f electrons in Pr 4 X 3 . The Pr 4f spectra of these localized systems are qualitatively well reproduced by a cluster model calculation that takes into account the hybridization between the Pr 4f orbital and the conduction and valence bands made up by the X p and Pr 5d states

  3. The motley family of polar compounds (MV)[M(X{sub 5-x}X Prime {sub x})] based on anionic chains of trans-connected M{sup (III)}(X,X Prime ){sub 6} octahedra (M=Bi, Sb; X, X Prime =Cl, Br, I) and methylviologen (MV) dications

    Energy Technology Data Exchange (ETDEWEB)

    Leblanc, Nicolas [Laboratoire MOLTECH-Anjou, UMR-CNRS 6200, Universite d' Angers 2 Bd Lavoisier, 49045 Angers (France); Mercier, Nicolas, E-mail: nicolas.mercier@univ-angers.fr [Laboratoire MOLTECH-Anjou, UMR-CNRS 6200, Universite d' Angers 2 Bd Lavoisier, 49045 Angers (France); Allain, Magali; Toma, Oksana [Laboratoire MOLTECH-Anjou, UMR-CNRS 6200, Universite d' Angers 2 Bd Lavoisier, 49045 Angers (France); Auban-Senzier, Pascale; Pasquier, Claude [Laboratoire de Physique des Solides, UMR-CNRS 8502, Bat. 510,Universite Paris Sud, 91405 Orsay (France)

    2012-11-15

    The search for hybrid organic-inorganic materials remains a great challenge in the field of ferroelectrics. Following the discovery of the room temperature ferroelectric material (MV)[BiI{sub 3}Cl{sub 2}] (MV{sup 2+}: methylviologen) exhibiting the highest polarization value in the field of hybrid ferroelectrics, we report here nine new hybrids with the general formulation (MV)[M{sup (III)}X{sub 5-x}X Prime {sub x}] (M=Bi, Sb; X, X Prime =Cl, Br, I): (MV)[BiCl{sub 3.3}Br{sub 1.7}] (1), (MV)[BiCl{sub 1.3}Br{sub 3.7}] (2), (MV)[BiBr{sub 3.2}I{sub 1.8}] (3), (MV)[SbCl{sub 5}] (4), (MV)[SbBr{sub 5}] (5), (MV)[SbCl{sub 3.8}Br{sub 1.2}] (6), (MV)[SbCl{sub 2.4}Br{sub 2.6}] (7), (MV)[SbI{sub 3}Cl{sub 2}] (8) and (MV)[SbBr{sub 3.8}I{sub 1.2}] (9). Depending on the presence of polar chains or not, and on the coupling of polar chains, two types of centrosymmetrical structures [C1] and [C2] and two types of polar structures [P1] and [P2] are defined. (2) undergoes a paraelectric-to-relaxor ferroelectric transition around 100-150 K depending of the frequency showing that the Curie temperature, T{sub C}, of (MV)[BiBr{sub 5}] (243 K) can be modulated by the substitution of Br by Cl. The most interesting family is the [P2] type because the syn coupling of polar chains is in favor of high polarization values, as in (MV)[BiI{sub 3}Cl{sub 2}]. Five of the nine new hybrids, (4), (6-9), which have the [P2] type structure are potential ferroelectrics. - Graphical abstract: The methylviologen haloantimonate (MV)[SbX{sub 5-x}X Prime {sub x}] families (X, X Prime =Cl, Br, I) - [P1] and [P2] are the two kinds of polar structures - and view of the (MV)[SbBr{sub 3.8}I{sub 1.2}] hybrid based on chiral polar chains which are in syn coupling. Highlights: Black-Right-Pointing-Pointer Nine hybrids based on methylviologen and halometalate chains have been discovered. Black-Right-Pointing-Pointer The polar nature of chains is due to the ns{sup 2} stereoactivity of Sb{sup (III)} or Bi{sup (III

  4. Overlayer growth and electronic properties of the Bi/GaSb(110) interface

    Science.gov (United States)

    Gavioli, Luca; Betti, Maria Grazia; Casarini, Paolo; Mariani, Carlo

    1995-06-01

    The overlayer growth and electronic properties of the Bi/GaSb(110) interface and of the two-dimensional ordered (1×1)- and (1×2)-Bi layers have been investigated by complementary spectroscopic techniques (high-resolution electron-energy-loss, photoemission, and Auger spectroscopy). Bismuth forms an epitaxial monolayer, followed by island formation (Stranski-Krastanov growth mode) covering an average surface area of 40% at a nominal coverage of 4 ML. The (1×2)-symmetry stable structural phase, obtained after annealing at ~220 °C, corresponds to an average nominal Bi coverage of about 0.7 ML, suggesting an atomic geometry different from the epitaxial-continued layer structure. The disposal of Bi atoms in the (1×2) structure should build up an ``open'' layer, as the Ga-related surface exciton quenched in the (1×1) epitaxial monolayer is present in the (1×2) stable phase. The two symmetry phases are characterized by strong absorption features at 1 eV [(1×1)-Bi] and 0.54 eV [(1×2)-Bi], related to interband electronic transitions between Bi-induced electronic states. The major Bi-related occupied electronic levels, present in the valence band of the (1×1)- and (1×2)-Bi layer, have been detected by angle-integrated ultraviolet photoemission spectroscopy. Both the (1×1) and (1×2) phases show a metallic nature, with a low density of electronic states at the Fermi level. Schottky barrier heights of 0.20 and 0.14 eV are estimated for the epitaxial (1×1)- and (1×2)-symmetry stage, respectively, by analyzing the space-charge layer conditions through the study of the dopant-induced free-carrier plasmon in the GaSb substrate.

  5. A review of Pb-Sb(As-S, Cu(Ag-Fe(Zn-Sb(As-S, Ag(Pb-Bi(Sb-S and Pb-Bi-S(Te sulfosalt systems from the Boranja orefield, West Serbia

    Directory of Open Access Journals (Sweden)

    Radosavljević Slobodan A.

    2016-01-01

    Full Text Available Recent mineralogical, chemical, physical, and crystallographic investigations of the Boranja orefield showed very complex mineral associations and assemblages where sulfosalts have significant role. The sulfosalts of the Boranja orefield can be divided in four main groups: (i Pb-Sb(As-S system with ±Fe and ±Cu; (ii Cu(Ag-Fe(Zn-Sb(As-S system; (iii Ag(Pb-Bi(Sb-S; (iv and Pb-Bi-S(Te system. Spatially, these sulfosalts are widely spread, however, they are the most abundant in the following polymetallic deposits and ore zones: Cu(Bi-FeS Kram-Mlakva; Pb(Ag-Zn-FeS2 Veliki Majdan (Kolarica-Centralni revir-Kojići; Sb-Zn-Pb-As Rujevac; and Pb-Zn-FeS2-BaSO4 Bobija. The multi stage formation of minerals, from skarnhydrothermal to complex hydrothermal with various stages and sub-stages has been determined. All hydrothermal stages and sub-stages of various polymetallic deposits and ore zones within the Boranja orefield are followed by a variety of sulfosalts. [Projekat Ministarstva nauke Republike Srbije, br. OI-176016: Magmatism and geodynamics of the Balkan Peninsula from Mesozoic to present day: Significance for the formation of metallic and non-metallic mineral deposits

  6. Thermoelectric properties of Co4Sb12 with Bi2Te3 nanoinclusions.

    Science.gov (United States)

    Ghosh, Sanyukta; Bisht, Anuj; Karati, Anirudha; Rogl, Gerda; Rogl, Peter; Murty, B S; Suwas, Satyam; Mallik, Ramesh Chandra

    2018-02-12

    The figure of merit (zT) of a thermoelectric material can be enhanced by incorporation of nanoinclusions into bulk material. The presence of bismuth telluride (Bi 2 Te 3 ) nanoinclusions in Co 4 Sb 12 leads to lower phonon thermal conductivity by introducing interfaces and defects; it enhances the average zT between 300-700 K. In the current study, Bi 2 Te 3 nanoparticles were dispersed into bulk Co 4 Sb 12 by ball-milling. The bulk was fabricated by spark plasma sintering. The presence of Bi 2 Te 3 dispersion in Co 4 Sb 12 was confirmed by x-ray diffraction, scanning electron microscopy, transmission electron microscopy and electron back scattered diffraction technique. Energy dispersive spectroscopy showed antimony (Sb) as an impurity phase for higher contents of Bi 2 Te 3 in the sample. The Seebeck coefficient (S) and electrical conductivity (σ) were measured in the temperature range of 350-673 K. The negative value of S indicates that most of the charge carriers were electrons. A decrease in S and increase in σ with Bi 2 Te 3 content are due to the increased carrier concentration, as confirmed by Hall measurement. The thermal conductivity, measured between 423-673 K, decreased due to the increased phonon scattering at interfaces. A maximum zT of 0.17 was achieved at 523 K and it did not vary much throughout the temperature range. The experimental results of composites were compared by using effective medium theories.

  7. Thermoelectric properties of Co4Sb12 with Bi2Te3 nanoinclusions.

    Science.gov (United States)

    Ghosh, Sanyukta; Bisht, Anuj; Karati, Anirudha; Rogl, Gerda; Rogl, Peter F; Murty, B S; Suwas, Satyam; Mallik, Ramesh Chandra

    2018-01-08

    The figure of merit (zT) of a thermoelectric material can be enhanced by incorporation of nanoinclusions into bulk material. The presence of bismuth telluride (Bi2Te3) nanoinclusions in Co4Sb12 leads to lower phonon thermal conductivity by introducing interfaces and defects; it enhances the average zT between 300-700 K. In the current study, Bi2Te3 nanoparticles were dispersed into bulk Co4Sb12 by ball-milling. The bulk was fabricated by spark plasma sintering (SPS). The presence of Bi2Te3 dispersion in Co4Sb12 was confirmed by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and electron back scattered diffraction (EBSD) technique. Energy dispersive spectroscopy (EDS) showed antimony (Sb) as an impurity phase for higher contents of Bi2Te3 in the sample. The Seebeck coefficient (S) and electrical conductivity () were measured in the temperature range of 350 - 673 K. The negative value of S indicates that most of the charge carriers were electrons. A decrease in S and increase in with Bi2Te3 content are due to the increased carrier concentration, as confirmed by Hall measurement. The thermal conductivity, measured between 423 - 673 K, decreased due to the increased phonon scattering at interfaces. A maximum zT of 0.17 was achieved at 523 K and it did not vary much throughout the temperature range. The experimental results of composites were compared by using effective medium theories. © 2018 IOP Publishing Ltd.

  8. Thermoelectric power of Bi and Bi{sub 1{minus}x}Sb{sub x} alloy thin films and superlattices grown by MBE

    Energy Technology Data Exchange (ETDEWEB)

    Cho, S; DiVenere, A; Wong, G K; Ketterson, J B; Meyer, J R; Hoffman, C A

    1997-07-01

    The authors have measured the thermoelectric power (TEP) of MBE-grown epitaxial Bi and Bi{sub 1{minus}x} alloy thin films and superlattices as a function of temperature in the range 20--300 K. They have observed that the TEP of a Bi thin film of 1 {micro}m thickness is in good agreement with the bulk single crystal value and that the TEPs for superlattices with 400 {angstrom} and 800 {angstrom} Bi well thicknesses are enhanced over the bulk values. For x = 0.072 and 0.088 in Bi{sub 1{minus}x}Sb{sub x} thin films showing semiconducting behavior, TEP enhancement was observed by a factor of two. However as Bi or Bi{sub 1{minus}x}Sb{sub x} well thickness decreases in superlattice geometry, the TEP decreases, which may be due to unintentional p-type doping.

  9. Exotic topological insulator states and topological phase transitions in Sb2Se3-Bi2Se3 heterostructures

    KAUST Repository

    Zhang, Qianfan; Zhang, Zhiyong; Zhu, Zhiyong; Schwingenschlö gl, Udo; Cui, Yi

    2012-01-01

    in controlling the electronic properties of semiconductor devices, are interesting for topological insulators. Here, we studied the spatial distribution of the topological state in Sb 2Se 3-Bi 2Se 3 heterostructures by first-principle simulation and discovered

  10. Electronic energy loss of low velocity H+ beams in Al, Ag, Sb, Au and Bi

    International Nuclear Information System (INIS)

    Valdes, J.E.; Martinez Tamayo, G.; Lantschner, G.H.; Eckardt, J.C.; Arista, N.R.

    1993-01-01

    The energy loss of H + ions in thin polycrystalline Al, Sb, Ag, Au and Bi films has been determined in the energy range below 10 keV. This low-energy range is of special interest to fill a lack of low-energy experimental data and test various theoretical predictions and semiempirical formulas. We find that the general theoretical prediction of a velocity-proportional dependence of energy loss does not hold for all targets studied in this work. The velocity-proportionality is better satisfied for Al, Sb and Bi, whereas a departure from such dependence is observed at lower energies for Ag and Au targets. The results obtained here are in good general agreement with nonlinear stopping power calculations based on density functional theory. Comparison with semiempirical predictions, and other experimental results are also done. (orig.)

  11. Precise measurement of the densities of liquid Bi, Sn, Pb and Sb

    International Nuclear Information System (INIS)

    Wang Lianwen; Wang Qiang; Xian Aiping; Lu Kunquan

    2003-01-01

    The densities of liquid Bi, Sn, Pb and Sb have been precisely measured from the melting point up to about 1100 K using an improved Archimedean method. The densities at the melting point for liquid Bi, Sn, Pb and Sb are 10.042 x 10 3 , 6.983 x 10 3 , 10.635 x 10 3 and 6.454 x 10 3 kg m -3 , respectively. Comparisons between our data and those from the literature have been made and they show the present results to be more reliable. Rather than a linear fit for the temperature dependence of the density, a slight deviation from linearity in the temperature dependence of the densities has been observed

  12. Evidence of β-antimonene at the Sb/Bi2Se3 interface.

    Science.gov (United States)

    Flammini, Roberto; Colonna, Stefano; Hogan, Conor; Mahatha, Sanjoy; Papagno, Marco; Barla, Alessandro; Sheverdyaeva, Polina; Moras, Paolo; Aliev, Ziya; Babanly, M B; Chulkov, Evgueni V; Carbone, Carlo; Ronci, Fabio

    2017-12-19

    We report a study of the interface between antimony and the prototypical topological insulator Sb/Bi2Se3. Scanning tunnelling microscopy measurements show the presence of ordered domains displaying a perfect lattice match with bismuth selenide. Density functional theory calculations of the most stable atomic configurations demonstrate that the ordered domains can be attributed to stacks of β-antimonene. © 2017 IOP Publishing Ltd.

  13. Synthesis and Structural Characterization of Heteroboroxines with MB2O3 Core (M = Sb, Bi, Sn)

    NARCIS (Netherlands)

    Mairychova, Barbora; Svoboda, Tomas; Stepnicka, Petr; Ruzicka, Ales; Havenith, Remco W. A.; Alonso, Mercedes; De Proft, Frank; Jambor, Roman; Dostal, Libor

    2013-01-01

    Reaction of organoantimony and organobismuth oxides (LSbO)(2) and (LBiO)(2) (where L is [2,6-bis(dimethylarnino)methyl]phenyl) with four equivalents of the organoboronic acids gave new heteroboroxines LM[(OBR)(2)O] 1a-2c (for M = Sb: R = Ph (1a), 4-CF3C6H4 (1b), ferrocenyl (1c); for M = Bi: R = Ph

  14. In-plane heterostructures of Sb/Bi with high carrier mobility

    Science.gov (United States)

    Zhao, Pei; Wei, Wei; Sun, Qilong; Yu, Lin; Huang, Baibiao; Dai, Ying

    2017-06-01

    In-plane two-dimensional (2D) heterostructures have been attracting public attention due to their distinctive properties. However, the pristine materials that can form in-plane heterostructures are reported only for graphene, hexagonal BN, transition-metal dichalcogenides. It will be of great significance to explore more suitable 2D materials for constructing such ingenious heterostructures. Here, we demonstrate two types of novel seamless in-plane heterostructures combined by pristine Sb and Bi monolayers by means of first-principle approach based on density functional theory. Our results indicate that external strain can serve as an effective strategy for bandgap engineering, and the transition from semiconductor to metal occurs when a compressive strain of -8% is applied. In addition, the designed heterostructures possess direct band gaps with high carrier mobility (˜4000 cm2 V-1 s-1). And the mobility of electrons and holes have huge disparity along the direction perpendicular to the interface of Sb/Bi in-plane heterostructures. It is favorable for carriers to separate spatially. Finally, we find that the band edge positions of Sb/Bi in-plane heterostructures can meet the reduction potential of hydrogen generation in photocatalysis. Our results not only offer alternative materials to construct versatile in-plane heterostructures, but also highlight the applications of 2D in-plane heterostructures in diverse nanodevices and photocatalysis.

  15. Controlling compositional homogeneity and crystalline orientation in Bi0.8Sb0.2 thermoelectric thin films

    Science.gov (United States)

    Rochford, C.; Medlin, D. L.; Erickson, K. J.; Siegal, M. P.

    2015-12-01

    Compositional-homogeneity and crystalline-orientation are necessary attributes to achieve high thermoelectric performance in Bi1-xSbx thin films. Following deposition in vacuum, and upon air exposure, we find that 50%-95% of the Sb in 100-nm thick films segregates to form a nanocrystalline Sb2O3 surface layer, leaving the film bulk as Bi-metal. However, we demonstrate that a thin SiN capping layer deposited prior to air exposure prevents Sb-segregation, preserving a uniform film composition. Furthermore, the capping layer enables annealing in forming gas to improve crystalline orientations along the preferred trigonal axis, beneficially reducing electrical resistivity.

  16. The Influence of Growth Temperature on Sb Incorporation in InAsSb, and the Temperature-dependent Impact of Bi Surfactants

    Science.gov (United States)

    2014-01-01

    temperature was set to give a beam equivalent pressure ( BEP ) of 4.8x10-7 Torr, as measured in this configuration. 10 4 We have shown in prior...to the value needed to grow lattice matched InAsSb on GaSb without using Bi surfactant at 415 C. The In growth rate was 1 m/hr. The Sb BEP was...1.2x10-7 Torr and the As BEP was 5.71x10-7 Torr. The absolute flux of all the constituents and the V/III ratios were kept constant for both layers of

  17. Structures and magnetic properties of rare earth double perovskites containing antimony or bismuth Ba{sub 2}LnMO{sub 6} (Ln=rare earths; M=Sb, Bi)

    Energy Technology Data Exchange (ETDEWEB)

    Otsuka, Shumpei, E-mail: m-nis-s-o@ec.hokudai.ac.jp; Hinatsu, Yukio

    2015-07-15

    A series of double perovskite-type oxides Ba{sub 2}LnMO{sub 6} (Ln=lanthanides; M=Sb, Bi) were synthesized and their structures were studied. The Ln and M are structurally ordered in the rock-salt type at the B-site of the perovskite ABO{sub 3}. For Ba{sub 2}PrBiO{sub 6} and Ba{sub 2}TbBiO{sub 6}, it has been found that the disordering between Ln ion and Bi ion occurs at the B-site of the double perovskite and both the Pr (Tb) and Bi exist in two oxidation state in the same compound from the analysis of the X-ray diffraction and magnetic susceptibility data. Magnetic susceptibility measurements show that all these compounds are paramagnetic and have no magnetic ordering down to 1.8 K. - Graphical abstract: Tolerance factor for Ba{sub 2}LnMO{sub 6} (M=Sb, Bi) plotted against the ionic radius of Ln{sup 3+}. We have found that there is a clear relation between crystal structures and tolerance factors. - Highlights: • The Ln and M ions are structurally ordered in the rock-salt type at the B-site. • The disordering between Pr (Tb) ion and Bi ion occurs at the B-site. • Ba{sub 2}LnMO{sub 6} (M=Sb, Bi) have no magnetic ordering down to 1.8 K.

  18. Electrodeposition of textured Bi27Sb28Te45 nanowires with enhanced electrical conductivity

    International Nuclear Information System (INIS)

    Hasan, Maksudul; Gautam, Devendraprakash; Enright, Ryan

    2016-01-01

    This work presents the template based pulsed potential electrodeposition technique of highly textured single crystalline bismuth antimony telluride (Bi 1-x Sb x ) 2 Te 3 nanowires from a single aqueous electrolyte. Cyclic voltammetry was used as an electroanalytical tool to assess the effect of the precursor concentrations on the composition of the deposits and to determine the deposition potential for each element. Pulsed potential electrodeposition was then applied on a gold-coated anodised alumina template to examine the effect of the pulse parameters on the composition and texture of Bi 27 Sb 28 Te 45 nanowires. The nanowires are cylindrical in shape formed during the deposition inside the porous template and highly textured as they are decorated with sparse distribution of small crystal domains. The electrical conductivity (24.1 × 10 4  S m −1 ) of a single nanowire was measured using a four-point probe technique implemented on a custom fabricated test chip. In this work, we demonstrated that crystal orientation with respect to the transport direction controlled by tuning the pulsed electrodeposition parameters. This allowed us to realise electrical conductivities ∼2.5 times larger than Sb doped bismuth-tellurium based ternary material systems and similar to what is typically seen in binary systems. - Highlights: • Pulsed electrodeposition is described towards fabrication of (Bi 1-x Sb x ) 2 Te 3 nanowires. • The adopted method is compatible with existing CMOS process. • The nanowires were fabricated as highly textured to enhance phonon scattering. • The electrical conductivity is ∼2.5 times larger than the current ternary materials.

  19. Roles of Cu in the Enhanced Thermoelectric Properties in Bi0.5Sb1.5Te3

    Directory of Open Access Journals (Sweden)

    Feng Hao

    2017-03-01

    Full Text Available Recently, Cu-containing p-type Bi0.5Sb1.5Te3 materials have shown high thermoelectric performances and promising prospects for practical application in low-grade waste heat recovery. However, the position of Cu in Bi0.5Sb1.5Te3 is controversial, and the roles of Cu in the enhancement of thermoelectric performance are still not clear. In this study, via defects analysis and stability test, the possibility of Cu intercalation in p-type Bi0.5Sb1.5Te3 materials has been excluded, and the position of Cu is identified as doping at the Sb sites. Additionally, the effects of Cu dopants on the electrical and thermal transport properties have been systematically investigated. Besides introducing additional holes, Cu dopants can also significantly enhance the carrier mobility by decreasing the Debye screen length and weakening the interaction between carriers and phonons. Meanwhile, the Cu dopants interrupt the periodicity of lattice vibration and bring stronger anharmonicity, leading to extremely low lattice thermal conductivity. Combining the suppression on the intrinsic excitation, a high thermoelectric performance—with a maximum thermoelectric figure of merit of around 1.4 at 430 K—has been achieved in Cu0.005Bi0.5Sb1.495Te3, which is 70% higher than the Bi0.5Sb1.5Te3 matrix.

  20. Roles of Cu in the Enhanced Thermoelectric Properties in Bi0.5Sb1.5Te₃.

    Science.gov (United States)

    Hao, Feng; Qiu, Pengfei; Song, Qingfeng; Chen, Hongyi; Lu, Ping; Ren, Dudi; Shi, Xun; Chen, Lidong

    2017-03-01

    Recently, Cu-containing p-type Bi 0.5 Sb 1.5 Te₃ materials have shown high thermoelectric performances and promising prospects for practical application in low-grade waste heat recovery. However, the position of Cu in Bi 0.5 Sb 1.5 Te₃ is controversial, and the roles of Cu in the enhancement of thermoelectric performance are still not clear. In this study, via defects analysis and stability test, the possibility of Cu intercalation in p-type Bi 0.5 Sb 1.5 Te₃ materials has been excluded, and the position of Cu is identified as doping at the Sb sites. Additionally, the effects of Cu dopants on the electrical and thermal transport properties have been systematically investigated. Besides introducing additional holes, Cu dopants can also significantly enhance the carrier mobility by decreasing the Debye screen length and weakening the interaction between carriers and phonons. Meanwhile, the Cu dopants interrupt the periodicity of lattice vibration and bring stronger anharmonicity, leading to extremely low lattice thermal conductivity. Combining the suppression on the intrinsic excitation, a high thermoelectric performance-with a maximum thermoelectric figure of merit of around 1.4 at 430 K-has been achieved in Cu 0.005 Bi 0.5 Sb 1.495 Te₃, which is 70% higher than the Bi 0.5 Sb 1.5 Te₃ matrix.

  1. Photoemission study of the skutterudite compounds CoSb sub 3 and RhSb sub 3

    CERN Document Server

    Ishii, H; Fujimori, A; Nagamoto, Y; Koyanagi, T; Sofo, J O

    2002-01-01

    We have studied the electronic structure of the skutterudite compounds CoSb sub 3 and Co(Sb sub 0 sub . sub 9 sub 6 Te sub 0 sub . sub 0 sub 4) sub 3 by photoemission spectroscopy. Valence-band spectra revealed that a significant amount Sb 5p states are present near the Fermi level and are hybridized with Co 3d states just below it. The spectra are well reproduced by the band-structure calculation, suggesting that the effect of electron correlations is not important. When Te is substituted for Sb and n-type carriers are doped into CoSb sub 3 , the spectra are shifted to higher binding energies as described by the rigid-band model. From this shift and the free-electron model for the conduction and valence bands, we have estimated the band gap of CoSb sub 3 to be 0.03-0.04 eV, consistent with transport measurements. Photoemission spectra of RhSb sub 3 have also been measured and revealed expected similarities to and differences from those of CoSb sub 3. Unusual temperature dependence has been observed for the s...

  2. Study of the circular photo-galvanic effect in electrically gated (Bi,Sb)2Te3 thin films

    Science.gov (United States)

    Pan, Yu; Pillsbury, Timothy; Richardella, Anthony; Flanagan, Thomas; Samarth, Nitin

    Illumination with circularly polarized light is known to produce a helicity dependent photocurrent in topological insulators such as Bi2Se3 [Nature Nanotech. 7, 96 (2012)]. Symmetry considerations suggest that this ``circular photo-galvanic effect'' (CPGE) arises purely from the surface. However, whether or not the CPGE is directly related to optical excitations from the helical surface states is still under debate. To clarify the origin of the CPGE, we first compare the helicity dependent photocurrent in intrinsic (Bi,Sb)2Te3 to Cr doped (Bi,Sb)2Te3 thin films in which the Dirac surface states are perturbed by magnetic coupling. Secondly, we discuss the tunable CPGE in electrically gated (Bi,Sb)2Te3 thin films excited by optical excitations at different wavelengths. The dependence on the chemical potential and the photon energy of the excitation unveils the origin of the CPGE. Funded by ONR.

  3. Topological insulators in Bi2Se3, Bi2Te3 and Sb2Te3 with a single Dirac cone on the surface

    Science.gov (United States)

    Zhang, Haijun; Liu, Chao-Xing; Qi, Xiao-Liang; Dai, Xi; Fang, Zhong; Zhang, Shou-Cheng

    2009-06-01

    Topological insulators are new states of quantum matter in which surface states residing in the bulk insulating gap of such systems are protected by time-reversal symmetry. The study of such states was originally inspired by the robustness to scattering of conducting edge states in quantum Hall systems. Recently, such analogies have resulted in the discovery of topologically protected states in two-dimensional and three-dimensional band insulators with large spin-orbit coupling. So far, the only known three-dimensional topological insulator is BixSb1-x, which is an alloy with complex surface states. Here, we present the results of first-principles electronic structure calculations of the layered, stoichiometric crystals Sb2Te3, Sb2Se3, Bi2Te3 and Bi2Se3. Our calculations predict that Sb2Te3, Bi2Te3 and Bi2Se3 are topological insulators, whereas Sb2Se3 is not. These topological insulators have robust and simple surface states consisting of a single Dirac cone at the Γ point. In addition, we predict that Bi2Se3 has a topologically non-trivial energy gap of 0.3eV, which is larger than the energy scale of room temperature. We further present a simple and unified continuum model that captures the salient topological features of this class of materials.

  4. The system analysis of temperature and melting enthalpy of intermetallic compounds of antimony-lanthanoids system of Sb Ln, Sb2Ln composition

    International Nuclear Information System (INIS)

    Badalova, M.A.; Chamanova, M.; Dodkhoev, E.S.; Badalov, A.; Abdusalyamova, M.N.

    2015-01-01

    Present article is devoted to system analysis of temperature and melting enthalpy of intermetallic compounds of antimony-lanthanoids system of Sb Ln, Sb 2 Ln composition. The melting enthalpy was estimated. The temperature value was determined.

  5. Structure of molten Bi-Sb-alloys by means of neutron diffraction

    International Nuclear Information System (INIS)

    Lamparter, P.; Knoll, W.; Steeb, S.

    1976-01-01

    The structural investigations with melts can be subdivided into two groups: The first group contains molten metals and molten alloys, and one can state that the structure of molten metals and of molten alloys nowadays is rather well understood. Interference functions of molten metals may be described by a hard sphere model. This is valid also for molten alloys with statistical distribution. For the second group, namely molten non-metals and molecular melts, the interference functions as well as the pair correlation functions are very offen rather complicated and not well understood. The present study is concerned with the transition region between these two groups. It is shown that the melts of the Bi-Sb system exhibit a change from metallic to non-metallic structure. Regarding the experimental details: the experiments were done with the two-axes spectrometer D 4 at the high-flux reactor at Grenoble. The containers consisted of cylindrical quartz tubes with a wall thickness of 0.1 cm. The furnace consisted of a direct-heated vanadium tube. The wavelength of the neutrons was 0.695 A. The final result is that the structure in molten Bi-Sb-alloys consists of primitive tetrahedra with coordination number 3. There are less tetrahedra in molten Bi than in molten Sb. Also with rising temperature the number of tetrahedra decreases. It is shown how to compose the coordination numbers of two structures to get the observed coordination number. The observed values are always the mean values of the two structures. (orig./HK) [de

  6. The microstructure network and thermoelectric properties of bulk (Bi,Sb)2Te3

    DEFF Research Database (Denmark)

    Xie, Wenjie; Hitchcock, Dale A.; Kang, Hye J.

    2012-01-01

    We report small-angle neutron scattering studies on the microstructure network in bulk (Bi,Sb)(2)Te-3 synthesized by the melt-spinning (MS) and the spark-plasma-sintering (SPS) process. We find that rough interfaces of multiscale microstructures generated by the MS are responsible for the large...... reduction of both lattice thermal conductivity and electrical conductivity. Our study also finds that subsequent SPS forms a microstructure network of similar to 10 nm thick lamellae and smooth interfaces between them. This nanoscale microstructure network with smooth interfaces increases electrical...... conductivity while keeping a low thermal conductivity, making it an ideal microstructure for high thermoelectric efficiency....

  7. Measurement of the Atomic Orbital Composition of the Near-Fermi-Level Electronic States in the Lanthanum Monopnictides LaBi and LaSb

    Science.gov (United States)

    Nummy, Thomas; Waugh, Justin; Parham, Stephen; Li, Haoxiang; Zhou, Xiaoqing; Plumb, Nick; Tafti, Fazel; Dessau, Daniel

    Angle resolved photoemission spectroscopy (ARPES) is used to measure the electronic structure of the Extreme Magnetoresistance (XMR) topological semimetal candidates LaBi and LaSb. Using a wide range of photon energies the true bulk states are cleanly disentangled from the various types of surface states, which may exist due to surface projections of bulk states as well as for topological reasons. The orbital content of the near-EF states are extracted using varying photon polarizations. The measured bulk bands are somewhat lighter and are energy shifted compared to the results of Density Functional calculations, which is a minor effect in LaBi and a more serious effect in LaSb. This bulk band structure puts LaBi in the v = 1 class of Topological Insulators (or semimetals), consistent with the measured Dirac-like surface states. LaSb on the other hand is at the verge of a topological band inversion, with a less-clear case for any distinctly topological surface states. The low-dimensional cigar-shaped bulk Fermi surfaces for both compounds are separated out by orbital content, with a crossover from pnictide d orbitals to La p orbitals around the Fermi surface, which through strong spin-orbit coupling may be relevant for the Extreme Magnetoresistance. NSF GRFP.

  8. Low-Temperature Bonding of Bi0.5Sb1.5Te3 Thermoelectric Material with Cu Electrodes Using a Thin-Film In Interlayer

    Science.gov (United States)

    Lin, Yan-Cheng; Yang, Chung-Lin; Huang, Jing-Yi; Jain, Chao-Chi; Hwang, Jen-Dong; Chu, Hsu-Shen; Chen, Sheng-Chi; Chuang, Tung-Han

    2016-09-01

    A Bi0.5Sb1.5Te3 thermoelectric material electroplated with a Ni barrier layer and a Ag reaction layer was bonded with a Ag-coated Cu electrode at low temperatures of 448 K (175 °C) to 523 K (250 °C) using a 4- μm-thick In interlayer under an external pressure of 3 MPa. During the bonding process, the In thin film reacted with the Ag layer to form a double layer of Ag3In and Ag2In intermetallic compounds. No reaction occurred at the Bi0.5Sb1.5Te3/Ni interface, which resulted in low bonding strengths of about 3.2 MPa. The adhesion of the Bi0.5Sb1.5Te3/Ni interface was improved by precoating a 1- μm Sn film on the surface of the thermoelectric element and preheating it at 523 K (250 °C) for 3 minutes. In this case, the bonding strengths increased to a range of 9.1 to 11.5 MPa after bonding at 473 K (200 °C) for 5 to 60 minutes, and the shear-tested specimens fractured with cleavage characteristics in the interior of the thermoelectric material. The bonding at 448 K (175 °C) led to shear strengths ranging from 7.1 to 8.5 MPa for various bonding times between 5 and 60 minutes, which were further increased to the values of 10.4 to 11.7 MPa by increasing the bonding pressure to 9.8 MPa. The shear strengths of Bi0.5Sb1.5Te3/Cu joints bonded with the optimized conditions of the modified solid-liquid interdiffusion bonding process changed only slightly after long-term exposure at 473 K (200 °C) for 1000 hours.

  9. Growth and characterization of MnGa thin films with perpendicular magnetic anisotropy on BiSb topological insulator

    Science.gov (United States)

    Duy Khang, Nguyen Huynh; Ueda, Yugo; Yao, Kenichiro; Hai, Pham Nam

    2017-10-01

    We report on the crystal growth as well as the structural and magnetic properties of Bi0.8Sb0.2 topological insulator (TI)/MnxGa1-x bi-layers grown on GaAs(111)A substrates by molecular beam epitaxy. By optimizing the growth conditions and Mn composition, we were able to grow MnxGa1-x thin films on Bi0.8Sb0.2 with the crystallographic orientation of Bi0.8Sb0.2(001)[1 1 ¯ 0]//MnGa (001)[100]. Using magnetic circular dichroism (MCD) spectroscopy, we detected both the L10 phase ( x 0.6 ) of MnxGa1-x. For 0.50 ≤ x ≤ 0.55 , we obtained ferromagnetic L10-MnGa thin films with clear perpendicular magnetic anisotropy, which were confirmed by MCD hysteresis, anomalous Hall effect as well as superconducting quantum interference device measurements. Our results show that the BiSb/MnxGa1-x bi-layer system is promising for perpendicular magnetization switching using the giant spin Hall effect in TIs.

  10. Structural and thermoelectric properties of zintl-phase CaLiPn (Pn=As, Sb, Bi)

    Energy Technology Data Exchange (ETDEWEB)

    Chandran, Anoop K.; Gudelli, Vijay Kumar; Sreeparvathy, P.C.; Kanchana, V., E-mail: kanchana@iith.ac.in

    2016-11-15

    First-principles calculations were carried out to study the structural, mechanical, dynamical and transport properties of zintl phase materials CaLiPn (Pn=As, Sb and Bi). We have used two different approaches to solve the system based on density functional theory. The plane wave pseudopotential approach has been used to study the structural and dynamical properties whereas, full potential linear augment plane wave method is used to examine the electronic structure, mechanical and thermoelectric properties. The calculated ground-state properties agree quite well with experimental values. The computed electronic structure shows the investigated compounds to be direct band gap semiconductors. Further, we have calculated the thermoelectric properties of all the investigated compounds for both the carriers at various temperatures. We found a high thermopower for both the carriers, especially n-type doping to be more favourable, which enabled us to predict that CaLiPn might have promising applications as a good thermoelectric material. Further, the phonon dispersion curves of the investigated compounds showed flat phonon modes and we also find lower optical and acoustic modes to cut each other at the lower frequency range, which further indicate the investigated compounds to possess reasonably low thermal conductivity. We have also analysed the low value of the thermal conductivity through the empirical relations and discussions are presented here. - Highlights: • Electronic band structure and chemical bonding. • Single crystalline elastic constants and poly crystalline elastic moduli. • Thermoelectric properties of zintl phase. • Lattice dynamics and phonon density of states.

  11. Signatures of charge inhomogeneities in the infrared spectra of topological insulators Bi2Se3, Bi2Te3 and Sb2Te3

    International Nuclear Information System (INIS)

    Dordevic, S V; Wolf, M S; Stojilovic, N; Lei Hechang; Petrovic, C

    2013-01-01

    We present the results of an infrared spectroscopy study of topological insulators Bi 2 Se 3 , Bi 2 Te 3 and Sb 2 Te 3 . Reflectance spectra of all three materials look similar, with a well defined plasma edge. However, there are some important differences. Most notably, as temperature decreases the plasma edge shifts to lower frequencies in Bi 2 Se 3 , whereas in Bi 2 Te 3 and Sb 2 Te 3 it shifts to higher frequencies. In the loss function spectra we identify asymmetric broadening of the plasmon, and assign it to the presence of charge inhomogeneities. It remains to be seen if charge inhomogeneities are characteristic of all topological insulators, and whether they are of intrinsic or extrinsic nature.

  12. Orientation distribution in Bi2Te3-based compound prepared by spark plasma sintering

    International Nuclear Information System (INIS)

    Kim, K.T.; Kim, Y.H.; Lim, C.H.; Cho, D.C.; Lee, Y.S.; Lee, C.H.

    2005-01-01

    P-type Bi 0.5 Sb 1.5 Te 3 compounds doped with 3wt.% Te were fabricated by spark plasma sintering after mixing large powders(P L ) and small powders(P S ). We could obtained the highest figure of merit(Z C ) of 2.89 x 10 -3 /K in sintered compound mixed to P L :P S =80:20. This resulted from the increase of orientation by large powders(P S ) and the reduce of pores by small powders. The figure of merit(Z C ) of the sintered compound using only small powders(P S ) showed lower value of 2.67 x 10 -3 /K compared with that of sintered compound mixed to P L :P S =80:20 due to the increase of electrical resistivity. (orig.)

  13. Detection of current-induced spin polarization in BiSbTeSe{sub 2} toplogical insulator

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Fan; Ghatak, Subhamoy; Taskin, Alexey; Ando, Yoichi [Institute of Physics II, University of Cologne (Germany); Ando, Yuichiro [Department of Electronic Science and Engineering, Kyoto University (Japan)

    2016-07-01

    Topological insulators (TIs) are a class of quantum matter which possess spin-momentum-locked Dirac Fermions on the surfaces. Due to the spin-momentum locking, spin polarization will be induced when a charge current flows through the surface of a TI. Such spin polarization can be detected by using a ferromagnetic tunneling contact as a detector. In this talk, we present our results measured in devices fabricated from BiSbTeSe{sub 2} flakes. Spin signals were observed in both n-type and p-type BiSbTeSe{sub 2} samples.

  14. Constructing a large variety of Dirac-cone materials in the Bi(1-x)Sb(x) thin film system.

    Science.gov (United States)

    Tang, Shuang; Dresselhaus, Mildred S

    2012-12-21

    We theoretically predict that a large variety of Dirac-cone materials can be constructed in Bi(1-x)Sb(x) thin films and we here show how to construct single-, bi- and tri-Dirac-cone materials with various amounts of wave vector anisotropy. These different types of Dirac cones can be of special interest to electronic device design, quantum electrodynamics and other fields.

  15. Synthesis and thermoelectric performance of a p-type Bi0.4Sb1.6Te3 material developed via mechanical alloying

    International Nuclear Information System (INIS)

    Jimenez, Sandra; Perez, Jose G.; Tritt, Terry M.; Zhu, Song; Sosa-Sanchez, Jose L.; Martinez-Juarez, Javier; López, Osvaldo

    2014-01-01

    Highlights: • This paper shows a Bi 1.6 Sb 0.4 Te 3 alloy prepared by MA-SPS process. • A ZT value of about 1.2–1.3 around 360 K was achieved for this compound. • The lower sintering process was carried out in a short time. • The resulting material has a very fine microstructure and high density. - Abstract: A p-type Bi 0.4 Sb 1.6 Te 3 thermoelectric compound was fabricated via mechanical alloying of bismuth, antimony and tellurium elemental powders as starting materials. The mechanically alloyed compositions were sintered through a spark-plasma sintering (SPS) process. The effect of the milling time was investigated. In order to characterize the powders obtained via mechanical alloying, X-ray diffraction (XRD) and energy dispersive spectroscopy (EDS) analysis were used. The morphological evolution was studied by scanning electron microscopy (SEM). Results showed that the p-type Bi 0.4 Sb 1.6 Te 3 compound was formed after 2 h of milling. Further, the variation of milling time showed that the synthesized phase was stable. All the powders exhibit the same morphology albeit with slight differences. Measurements of the electrical resistivity, Seebeck coefficient and thermal conductivity were performed in the temperature range 300–520 K for the SPS samples. The resulting thermoelectric figure of merit ZT reaches a maximum of 1.2 at 360 K for the p-type bulk material with a 5 h milling time. This study demonstrates the possibility of preparing thermoelectric materials of high performance and short processing time

  16. From thermoelectric bulk to nanomaterials: Current progress for Bi2Te3 and CoSb3

    International Nuclear Information System (INIS)

    Peranio, N.; Eibl, O.; Baessler, S.; Nielsch, K.; Klobes, B.; Hermann, R.P.; Daniel, M.; Albrecht, M.; Goerlitz, H.; Pacheco, V.; Bedoya-Martinez, N.; Hashibon, A.; Elsaesser, C.

    2016-01-01

    Bi 2 Te 3 and CoSb 3 based nanomaterials were synthesized and their thermoelectric, structural, and vibrational properties analyzed to assess and reduce ZT-limiting mechanisms. The same preparation and/or characterization methods were applied in the different materials systems. Single-crystalline, ternary p-type Bi 15 Sb 29 Te 56 , and n-type Bi 38 Te 55 Se 7 nanowires with power factors comparable to nanostructured bulk materials were prepared by potential-pulsed electrochemical deposition in a nanostructured Al 2 O 3 matrix. p-type Sb 2 Te 3 , n-type Bi 2 Te 3 , and n-type CoSb 3 thin films were grown at room temperature using molecular beam epitaxy and were subsequently annealed at elevated temperatures. This yielded polycrystalline, single phase thin films with optimized charge carrier densities. In CoSb 3 thin films the speed of sound could be reduced by filling the cage structure with Yb and alloying with Fe yielded p-type material. Bi 2 (Te 0.91 Se 0.09 ) 3 /SiC and (Bi 0.26 Sb 0.74 ) 2 Te 3 /SiC nanocomposites with low thermal conductivities and ZT values larger than 1 were prepared by spark plasma sintering. Nanostructure, texture, chemical composition, as well as electronic and phononic excitations were investigated by X-ray diffraction, nuclear resonance scattering, inelastic neutron scattering, Moessbauer spectroscopy, and transmission electron microscopy. For Bi 2 Te 3 materials, ab-initio calculations together with equilibrium and non-equilibrium molecular dynamics simulations for point defects yielded their formation energies and their effect on lattice thermal conductivity, respectively. Current advances in thermoelectric Bi 2 Te 3 and CoSb 3 based nanomaterials are summarized. Advanced synthesis and characterization methods and theoretical modeling were combined to assess and reduce ZT-limiting mechanisms in these materials. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. Study of the influence of semiconductor material parameters on acoustic wave propagation modes in GaSb/AlSb bi-layered structures by Legendre polynomial method

    Energy Technology Data Exchange (ETDEWEB)

    Othmani, Cherif, E-mail: othmanicheriffss@gmail.com; Takali, Farid; Njeh, Anouar; Ben Ghozlen, Mohamed Hédi

    2016-09-01

    The propagation of Rayleigh–Lamb waves in bi-layered structures is studied. For this purpose, an extension of the Legendre polynomial (LP) method is proposed to formulate the acoustic wave equation in the bi-layered structures induced by thin film Gallium Antimonide (GaSb) and with Aluminum Antimonide (AlSb) substrate in moderate thickness. Acoustic modes propagating along a bi-layer plate are shown to be quite different than classical Lamb modes, contrary to most of the multilayered structures. The validation of the LP method is illustrated by a comparison between the associated numerical results and those obtained using the ordinary differential equation (ODE) method. The convergency of the LP method is discussed through a numerical example. Moreover, the influences of thin film GaSb parameters on the characteristics Rayleigh–Lamb waves propagation has been studied in detail. Finally, the advantages of the Legendre polynomial (LP) method to analyze the multilayered structures are described. All the developments performed in this work were implemented in Matlab software.

  18. Study of the influence of semiconductor material parameters on acoustic wave propagation modes in GaSb/AlSb bi-layered structures by Legendre polynomial method

    International Nuclear Information System (INIS)

    Othmani, Cherif; Takali, Farid; Njeh, Anouar; Ben Ghozlen, Mohamed Hédi

    2016-01-01

    The propagation of Rayleigh–Lamb waves in bi-layered structures is studied. For this purpose, an extension of the Legendre polynomial (LP) method is proposed to formulate the acoustic wave equation in the bi-layered structures induced by thin film Gallium Antimonide (GaSb) and with Aluminum Antimonide (AlSb) substrate in moderate thickness. Acoustic modes propagating along a bi-layer plate are shown to be quite different than classical Lamb modes, contrary to most of the multilayered structures. The validation of the LP method is illustrated by a comparison between the associated numerical results and those obtained using the ordinary differential equation (ODE) method. The convergency of the LP method is discussed through a numerical example. Moreover, the influences of thin film GaSb parameters on the characteristics Rayleigh–Lamb waves propagation has been studied in detail. Finally, the advantages of the Legendre polynomial (LP) method to analyze the multilayered structures are described. All the developments performed in this work were implemented in Matlab software.

  19. Homologous series of layered structures in binary and ternary Bi-Sb-Te-Se systems : Ab initio study

    NARCIS (Netherlands)

    Govaerts, K.; Sluiter, M.H.F.; Partoens, B.; Lamoen, D.

    2014-01-01

    In order to account explicitly for the existence of long-periodic layered structures and the strong structural relaxations in the most common binary and ternary alloys of the Bi-Sb-Te-Se system, we have developed a one-dimensional cluster expansion (CE) based on first-principles electronic structure

  20. Controlling compositional homogeneity and crystalline orientation in Bi0.8Sb0.2 thermoelectric thin films

    Directory of Open Access Journals (Sweden)

    C. Rochford

    2015-12-01

    Full Text Available Compositional-homogeneity and crystalline-orientation are necessary attributes to achieve high thermoelectric performance in Bi1−xSbx thin films. Following deposition in vacuum, and upon air exposure, we find that 50%–95% of the Sb in 100-nm thick films segregates to form a nanocrystalline Sb2O3 surface layer, leaving the film bulk as Bi-metal. However, we demonstrate that a thin SiN capping layer deposited prior to air exposure prevents Sb-segregation, preserving a uniform film composition. Furthermore, the capping layer enables annealing in forming gas to improve crystalline orientations along the preferred trigonal axis, beneficially reducing electrical resistivity.

  1. Correlating thermoelectric properties with microstructure in Bi0.8Sb0.2 thin films

    Science.gov (United States)

    Siegal, M. P.; Lima-Sharma, A. L.; Sharma, P. A.; Rochford, C.

    2017-04-01

    The room temperature electronic transport properties of 100 nm-thick thermoelectric Bi0.8Sb0.2 films, sputter-deposited onto quartz substrates and post-annealed in an ex-situ furnace, systematically correlate with the overall microstructural quality, improving with increasing annealing temperature until close to the melting point for the alloy composition. The optimized films have high crystalline quality with ˜99% of the grains oriented with the trigonal axis perpendicular to the substrate surface. Film resistivities and Seebeck coefficients are accurately measured by preventing deleterious surface oxide formation via a SiN capping layer and using Nd-doped Al for contacts. The resulting values are similar to single crystals and significantly better than previous reports from films and polycrystalline bulk alloys.

  2. Microstructure of thermoelectric (Bi0.15Sb0.85)2Te3 film

    International Nuclear Information System (INIS)

    Yildiz, Koksal; Akgul, Unal; Atici, Yusuf; Leipner, Hartmut S.

    2014-01-01

    The film of thermoelectric ternary p-type (Bi 0.15 Sb 0.85 ) 2 Te 3 was deposited on polyimide foil substrate at 168 C using direct-current magnetron sputtering. Microstructural investigations of the film were performed by electron microscopy techniques. SEM observations showed that the film surface consisted of large-sized particulates with small-sized particles and also mound-like crystal agglomerates in some areas. Chemical composition of the film was analyzed using energy-dispersive X-ray spectrometer (EDS). It has been observed that the EDS results were in an agreement with nominal composition for the film. Detailed microstructural investigations were carried out using transmission electron microscopy (TEM). TEM images and selected area electron diffraction patterns showed that the film has randomly oriented polycrystalline grain structure. High-resolution TEM images indicated that the microstructure of film also contained nano-crystal structure, smaller than 10 nm. (orig.)

  3. Fe-Doping Effect on Thermoelectric Properties of p-Type Bi0.48Sb1.52Te3

    Directory of Open Access Journals (Sweden)

    Hyeona Mun

    2015-03-01

    Full Text Available The substitutional doping approach has been shown to be an effective strategy to improve ZT of Bi2Te3-based thermoelectric raw materials. We herein report the Fe-doping effects on electronic and thermal transport properties of polycrystalline bulks of p-type Bi0.48Sb1.52Te3. After a small amount of Fe-doping on Bi/Sb-sites, the power factor could be enhanced due to the optimization of carrier concentration. Additionally, lattice thermal conductivity was reduced by the intensified point-defect phonon scattering originating from the mass difference between the host atoms (Bi/Sb and dopants (Fe. An enhanced ZT of 1.09 at 300 K was obtained in 1.0 at% Fe-doped Bi0.48Sb1.52Te3 by these synergetic effects.

  4. Theoretical prediction of thermodynamic activities of liquid Au-Sn-X (X=Bi, Sb, Zn) solder systems

    Energy Technology Data Exchange (ETDEWEB)

    Awe, O.E., E-mail: draweoe2004@yahoo.com [Department of Physics, University of Ibadan, Ibadan (Nigeria); Department of Physics and Engineering Physics, Obafemi Awolowo University, Ile-Ife (Nigeria); Oshakuade, O.M. [Department of Physics, University of Ibadan, Ibadan (Nigeria)

    2017-02-15

    Molecular interaction volume model has been theoretically used to predict the thermodynamic activities of tin in Au-Sn-Bi and Au-Sn-Sb and the thermodynamic activity of zinc in Au-Sn-Zn at experimental temperatures 800 K, 873 K and 973 K, respectively. On the premise of agreement between the predicted and experimental values, we predicted the activities of the remaining two components in each of the three systems. This prediction was extended from three cross-sections to five cross-sections, and to temperature range 400–600 K, relevant for applications. Iso-activities were plotted. Results show that addition of tin reduces the tendency for chemical short range order in both Au-Sb and Au-Zn systems, while addition of gold and bismuth, respectively, reduce the tendency for chemical short range order in Sn-Sb and Au-Sn systems. Also, we found that, in the desired high-temperature region for applications, while a combination of chemical order and miscibility of components exist in both Au-Sn-Bi and Au-Sn-Zn systems, only chemical order exist in the Au-Sn-Sb system. Results, further show that increase in temperature reduces the phase separation tendency in Au-Sn-Bi system.

  5. Fermi-level tuning of the Dirac surface state in (Bi1-x Sb x )2Se3 thin films

    Science.gov (United States)

    Satake, Yosuke; Shiogai, Junichi; Takane, Daichi; Yamada, Keiko; Fujiwara, Kohei; Souma, Seigo; Sato, Takafumi; Takahashi, Takashi; Tsukazaki, Atsushi

    2018-02-01

    We report on the electronic states and the transport properties of three-dimensional topological insulator (Bi1-x Sb x )2Se3 ternary alloy thin films grown on an isostructural Bi2Se3 buffer layer on InP substrates. By angle-resolved photoemission spectroscopy, we clearly detected Dirac surface states with a large bulk band gap of 0.2-0.3 eV in the (Bi1-x Sb x )2Se3 film with x  =  0.70. In addition, we observed by Hall effect measurements that the dominant charge carrier converts from electron (n-type) to hole (p-type) at around x  =  0.7, indicating that the Fermi level can be controlled across the Dirac point. Indeed, the carrier transport was shown to be governed by Dirac surface state in 0.63  ⩽  x  ⩽  0.75. These features suggest that Fermi-level tunable (Bi1-x Sb x )2Se3-based heterostructures provide a platform for extracting exotic topological phenomena.

  6. NMR studies in the half-Heusler type compound YbPtSb

    Energy Technology Data Exchange (ETDEWEB)

    Koyama, T; Abe, M; Mito, T; Ueda, K; Kohara, T [Graduate School of Material Science, University of Hyogo, Kamigori, Hyogo 678-1297 (Japan); Suzuki, H S, E-mail: t-koyama@sci.u-hyogo.ac.jp [National Institute for Materials Science, Tsukuba 305-0047 (Japan)

    2011-01-01

    {sup 121}Sb and {sup 19B}Pt nuclear magnetic resonance (NMR) has been studied in the half-Heusler type compound YbPtSb to obtain information on local magnetic behavior. The characteristics of the localized 4f spins are observed in the Cuire-Weiss type behavior of the Knight shifts K for both {sup 121}Sb and {sup 19B}Pt. From the slope of K-{sub {chi}} plots we estimated hyperfine coupling constants of -3.8 and -4.6 kOe/{mu}{sub B} at Sb and Pt sites, respectively. It was found that the spin-echo decay rate 1/T{sub 2} of {sup 121}Sb shows a clear peaks at 10 K. Similar tendency was also observed in case of {sup 19B}Pt. However, static properties do not show any anomalies near 10 K.

  7. Evolution of thermoelectric performance for (Bi,Sb)2Te3 alloys from cutting waste powders to bulks with high figure of merit

    Science.gov (United States)

    Fan, Xi‧an; Cai, Xin zhi; Han, Xue wu; Zhang, Cheng cheng; Rong, Zhen zhou; Yang, Fan; Li, Guang qiang

    2016-01-01

    Bi2Te3 based cutting waste powders from cutting wafers were firstly selected as raw materials to prepare p-type Bi2Te3 based thermoelectric (TE) materials. Through washing, reducing, composition correction, smelting and resistance pressing sintering (RPS) process, p-type (Bi,Sb)2Te3 alloy bulks with different nominal stoichiometries were successfully obtained. The evolution of microstructure and TE performance for (Bi,Sb)2Te3 alloys were investigated in detail. All evidences confirmed that most of contaminants from line cutting process such as cutting fluid and oxides of Bi, Sb or Te could be removed by washing, reducing and smelting process used in this work. The carrier content and corresponding TE properties could be adjusted effectively by appropriate composition correction treatment. At lastly, a bulk with a nominal stoichiometry of Bi0.44Sb1.56Te3 was obtained and its' dimensionless figure of merit (ZT) was about 1.16 at 90 °C. The ZT values of Bi0.36Sb1.64Te3 and Bi0.4Sb1.6Te3 alloy bulks could also reach 0.98 and 1.08, respectively. Different from the conventional recycling technology such as hydrometallurgy extraction methods, the separation and extraction of beneficial elements such as Bi, Sb and Te did not need to be performed and the Bi2Te3 based bulks with high TE properties could be directly obtained from the cutting waste powders. In addition, the recycling technology introduced here was green and more suitable for practical industrial application. It can improve material utilization and lower raw material costs of manufacturers.

  8. Positron annihilation in Bi1.8Sb0.2Sr2Ca2Cu3Ox superconductor

    International Nuclear Information System (INIS)

    Chen Feng; Zheng Shennan; Zhang Suqun

    1992-01-01

    The positron lifetime and Doppler broadening line-shape parameter are measured as a function of the temperature from 78 K to 300 K for the Bi 1.8 Sb 0.2 Sr 2 Ca 2 Cu 3 O x superconductor. A decrease of both lifetime and S parameter is observed across T c . This can be interpreted by the theory of local charge transferring from the CuO layer to the BiO layer during superconducting transition. In the temperature region of normal state two anomalies are found around 165 K and 235 K. The possible origin of the observed anomalies is discussed

  9. Process controls for Bi2Te3-Sb2Te3 prepared by mechanical alloying and hot pressing

    International Nuclear Information System (INIS)

    Lee, Go-Eun; Kim, Il-Ho; Choi, Soon-Mok; Lim, Young-Soo; Seo, Won-Seon; Park, Jae-Soung; Yang, Seung-Ho

    2014-01-01

    p-Type Bi 2 Te 3 -Sb 2 Te 3 solid solutions were prepared by mechanical alloying (MA) and hot pressing (HP) under different process conditions, after which the transport and the thermoelectric properties were evaluated. The relative densities of all hot-pressed specimens were over 98%, and the microstructure and crystal orientation were independent of the HP direction. All specimens exhibited p-type conduction, and the electrical resistivity was observed to increase slightly with increasing temperature, indicating a degenerate semiconductor behavior. The carrier concentration decreased with increasing HP temperature while the mobility increased. The maximum figure of merit obtained was 0.86 at 323 K for Bi 0.5 Sb 1.5 Te 3 hot-pressed at 648 K.

  10. Effect of antimony concentration on structural and transport properties of (Bi{sub 1-x}Sb{sub x}){sub 2}Te{sub 3} mixed crystal

    Energy Technology Data Exchange (ETDEWEB)

    Malik, K.; Das, Diptasikha; Bandyopadhyay, S.; Banerjee, S.; Banerjee, Aritra, E-mail: aritrabanerjee.cu@gmail.com [Department of Physics, University of Calcutta, 92 A P C Road, Kolkata-700009 (India)

    2015-06-24

    Polycrystalline (Bi{sub 1-x}Sb{sub x}){sub 2}Te{sub 3} (0.60≤x≤0.68) alloys have been synthesized by solid state reaction method. Structural characterizations have been done using X-Ray Diffraction (XRD). Lattice parameter decreases with antimony (Sb) concentration. Sb doping leads to the modification in band structure and Fermi surface geometry. Band gap calculated from thermal variation of resistivity (ρ-T) data, decreases with Sb concentration. Sb concentration dependent power factor near room temperature have been calculated from obtained resistivity and thermopower data. Highest power factor obtained for (Bi{sub 0.40}Sb{sub 0.60}){sub 2}Te{sub 3} alloy.

  11. Martensitic transformation behavior in Ti–Ni–X (Ag, In, Sn, Sb, Te, Tl, Pb, Bi) ternary alloys

    Energy Technology Data Exchange (ETDEWEB)

    Jang, Jai-young; Chun, Su-jin; Kim, Nam-suk; Cho, Jeung-won; Kim, Jae-hyun [School of Materials Science and Engineering, Gyeongsang National University, 900 Gazwadong, Jinju, Gyeongnam 660-701 (Korea, Republic of); Yeom, Jong-taek [Light Metal Division, Korea Institute of Materials Science (KIMS), Changwon 642-831 (Korea, Republic of); Kim, Jae-il [Materials Science and Engineering, University of Dong-A, Hadan-dong, Saha-gu, Busan 604-714 (Korea, Republic of); Nam, Tae-hyun, E-mail: tahynam@gnu.ac.kr [School of Materials Science and Engineering, Gyeongsang National University, 900 Gazwadong, Jinju, Gyeongnam 660-701 (Korea, Republic of)

    2013-12-15

    Graphical abstract: - Highlights: • Ag, In and Sn were soluble in TiNi matrix, while Sb, Te, Tl, Pb and Bi were not. • The B2-R-B19′transformation occurred in Ti-Ni-(Ag, In, Sn) alloys. • Solid solution hardening was essential for inducing the B2-R transformation. - Abstract: The microstructures and transformation behaviors of Ti–Ni–X (Ag, In, Sn, Sb, Te, Tl, Pb, Bi) ternary alloys were investigated using electron probe micro-analysis (EPMA), X-ray diffraction (XRD), differential scanning calorimetry (DSC) and Micro Vickers hardness tests. All specimens consisted of Ti–Ni matrices and second phase particles. Ag, In and Sn were soluble in Ti–Ni matrices with a limited solubility (≤1.0 at%), while Sb, Te, Tl, Pb and Bi were not soluble. Two-stage B2-R-B19′ transformation occurred in Ti–48.8Ni–1.2Ag, Ti–49.0Ni–1.0In and Ti–49.0Ni–1.0Sn alloys, while one-stage B2-B19′ transformation occurred in Ti–49.0Ni–1.0Ag, Ti–49.0Ni–1.0Sb, Ti–49.0Ni–1.0Te, Ti–49.0Ni–1.0Pb and Ti–49.0Ni–1.0Bi alloys. Micro Vickers hardness of the alloys displaying the B2-R-B19′ transformation (Hv 250–368) was much larger than that (

  12. Martensitic transformation behavior in Ti–Ni–X (Ag, In, Sn, Sb, Te, Tl, Pb, Bi) ternary alloys

    International Nuclear Information System (INIS)

    Jang, Jai-young; Chun, Su-jin; Kim, Nam-suk; Cho, Jeung-won; Kim, Jae-hyun; Yeom, Jong-taek; Kim, Jae-il; Nam, Tae-hyun

    2013-01-01

    Graphical abstract: - Highlights: • Ag, In and Sn were soluble in TiNi matrix, while Sb, Te, Tl, Pb and Bi were not. • The B2-R-B19′transformation occurred in Ti-Ni-(Ag, In, Sn) alloys. • Solid solution hardening was essential for inducing the B2-R transformation. - Abstract: The microstructures and transformation behaviors of Ti–Ni–X (Ag, In, Sn, Sb, Te, Tl, Pb, Bi) ternary alloys were investigated using electron probe micro-analysis (EPMA), X-ray diffraction (XRD), differential scanning calorimetry (DSC) and Micro Vickers hardness tests. All specimens consisted of Ti–Ni matrices and second phase particles. Ag, In and Sn were soluble in Ti–Ni matrices with a limited solubility (≤1.0 at%), while Sb, Te, Tl, Pb and Bi were not soluble. Two-stage B2-R-B19′ transformation occurred in Ti–48.8Ni–1.2Ag, Ti–49.0Ni–1.0In and Ti–49.0Ni–1.0Sn alloys, while one-stage B2-B19′ transformation occurred in Ti–49.0Ni–1.0Ag, Ti–49.0Ni–1.0Sb, Ti–49.0Ni–1.0Te, Ti–49.0Ni–1.0Pb and Ti–49.0Ni–1.0Bi alloys. Micro Vickers hardness of the alloys displaying the B2-R-B19′ transformation (Hv 250–368) was much larger than that (< Hv 200) of the alloys displaying the B2-B19′ transformation. Solid solution hardening was an important factor for inducing the B2-R transformation in Ti–Ni–X (X = non-transition elements) alloys

  13. Intrinsic Instability of Cs2In(I)M(III)X6 (M = Bi, Sb; X = Halogen) Double Perovskites: A Combined Density Functional Theory and Experimental Study.

    Science.gov (United States)

    Xiao, Zewen; Du, Ke-Zhao; Meng, Weiwei; Wang, Jianbo; Mitzi, David B; Yan, Yanfa

    2017-05-03

    Recently, there has been substantial interest in developing double-B-cation halide perovskites, which hold the potential to overcome the toxicity and instability issues inherent within emerging lead halide-based solar absorber materials. Among all double perovskites investigated, In(I)-based Cs 2 InBiCl 6 and Cs 2 InSbCl 6 have been proposed as promising thin-film photovoltaic absorber candidates, with computational examination predicting suitable materials properties, including direct bandgap and small effective masses for both electrons and holes. In this study, we report the intrinsic instability of Cs 2 In(I)M(III)X 6 (M = Bi, Sb; X = halogen) double perovskites by a combination of density functional theory and experimental study. Our results suggest that the In(I)-based double perovskites are unstable against oxidation into In(III)-based compounds. Further, the results show the need to consider reduction-oxidation (redox) chemistry when predicting stability of new prospective electronic materials, especially when less common oxidation states are involved.

  14. Thermoelectric properties of p-type (Bi{sub 1{minus}x}Sb{sub x}){sub 2}Te{sub 3} fabricated by mechanical alloying process

    Energy Technology Data Exchange (ETDEWEB)

    Jung, B Y; Choi, J S; Oh, T S; Hyun, D B

    1997-07-01

    Thermoelectric properties of polycrystalline (Bi{sub 1{minus}x}Sb{sub x}){sub 2}Te{sub 3} (0.75 {le} x {le} 0.85), fabricated by mechanical alloying and hot pressing methods, have been investigated. Formation of (Bi{sub 0.25}Sb{sub 0.75}){sub 2}Te{sub 3} alloy powder was completed by mechanical alloying for 5 hours at ball-to-material ratio of 5:1, and processing time for (Bi{sub 1{minus}sub x}Sb{sub x}){sub 2}Te{sub 3} formation increased with Sb{sub 2}Te{sub 3} content x. When (Bi{sub 0.25}Sb{sub 0.75}){sub 2}Te{sub 3} was hot pressed at temperatures ranging from 300 C to 550 C for 30 minutes, figure-of-merit increased with hot pressing temperature and maximum value of 2.8 x 10{sup {minus}3}/K could be obtained by hot pressing at 550 C. When hot pressed at 550 C, (Bi{sub 0.2}Sb{sub 0.8}){sub 2}Te{sub 3} exhibited figure-of-merit of 2.92 x 10{sup {minus}3}/K, which could be improved to 2.97 x 10{sup {minus}3}/K with addition of 1 wt% Sb as acceptor dopant.

  15. Investigations of electronic structure of Bi and Sb by the method of the angular correlation of annihilation quanta

    International Nuclear Information System (INIS)

    Szuszkiewicz, M.

    1977-01-01

    The work is devoted to the investigations of electronic structure of solid bismuth and antymony using the method of the angular correlation of annihilation quanta, originated from the two-photons annihilation of positrons with the electrons of a sample. The measurements of the angular correlation were performed for monocrystallic samples of Bi and Sb for three crystallographic directions: /011/,/011/, /111/. The analysis of the obtained results is based upon the Brillouin zones theory extended by Jones for the crystalline structure of those semimetals. For Bi for the direction /111/, a distinct discrepancy has been found between the experimental and expected distribution, calculated on the base of the completely occupied Jones zone. This diveragence is assumed to be due to the conductivity electrons occupying the electronic states outside the Jones zone. The angular distributions for all directions of Sb turned out to be inconsistent with the model of Jones zone, containing 10 quasi-free electrons per unit cell. It is possible to give a satisfactory interpretation of the experimental data for Sb under the assumption that the first Brillouin zone in Jones zone is occupied by the electrons, behaving as being strongly localized, (about 2 electrons per unit cell) and the remaining part of Jones zone is occupied by quasi-free electrons, similarly to Bi. (author)

  16. Effect of Ga2O3 Nanoparticles Dispersion on Microstructure and Thermoelectric Properties of p-Type BiSbTe Based Alloys

    Directory of Open Access Journals (Sweden)

    Kim E.-B.

    2017-06-01

    Full Text Available In this study, p-type Bi0.5Sb1.5Te3 based nanocomposites with addition of different weight percentages of Ga2O3 nanoparticles are fabricated by mechanical milling and spark plasma sintering. The fracture surfaces of all Bi0.5Sb1.5Te3 nanocomposites exhibited similar grain distribution on the entire fracture surface. The Vickers hardness is improved for the Bi0.5Sb1.5Te3 nanocomposites with 6 wt% added Ga2O3 due to exhibiting fine microstructure, and dispersion strengthening mechanism. The Seebeck coefficient of Bi0.5Sb1.5Te3 nanocomposites are significantly improved owing to the decrease in carrier concentration. The electrical conductivity is decreased rapidly upon the addition of Ga2O3 nanoparticle due to increasing carrier scattering at newly formed interfaces. The peak power factor of 3.24 W/mK2 is achieved for the base Bi0.5Sb1.5Te3 sintered bulk. The Bi0.5Sb1.5Te3 nanocomposites show low power factor than base sample due to low electrical conductivity.

  17. Evolution of thermoelectric performance for (Bi,Sb){sub 2}Te{sub 3} alloys from cutting waste powders to bulks with high figure of merit

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Xi' an, E-mail: groupfxa@163.com [The State Key Laboratory of Refractories and Metallurgy, Wuhan University of Science and Technology, Wuhan 430081 (China); Key Laboratory for Ferrous Metallurgy and Resources Utilization of Ministry of Education, Wuhan University of Science and Technology, Wuhan 430081 (China); School of Materials and Metallurgy, Wuhan University of Science and Technology, 947 Heping Road, Qingshan District, Wuhan 430081 (China); Cai, Xin zhi, E-mail: xzcwust@163.com [The State Key Laboratory of Refractories and Metallurgy, Wuhan University of Science and Technology, Wuhan 430081 (China); Key Laboratory for Ferrous Metallurgy and Resources Utilization of Ministry of Education, Wuhan University of Science and Technology, Wuhan 430081 (China); School of Materials and Metallurgy, Wuhan University of Science and Technology, 947 Heping Road, Qingshan District, Wuhan 430081 (China); Han, Xue wu, E-mail: hanxuewu1990@163.com [The State Key Laboratory of Refractories and Metallurgy, Wuhan University of Science and Technology, Wuhan 430081 (China); Key Laboratory for Ferrous Metallurgy and Resources Utilization of Ministry of Education, Wuhan University of Science and Technology, Wuhan 430081 (China); School of Materials and Metallurgy, Wuhan University of Science and Technology, 947 Heping Road, Qingshan District, Wuhan 430081 (China); Zhang, Cheng cheng, E-mail: zcc516990418@live.com [The State Key Laboratory of Refractories and Metallurgy, Wuhan University of Science and Technology, Wuhan 430081 (China); Key Laboratory for Ferrous Metallurgy and Resources Utilization of Ministry of Education, Wuhan University of Science and Technology, Wuhan 430081 (China); School of Materials and Metallurgy, Wuhan University of Science and Technology, 947 Heping Road, Qingshan District, Wuhan 430081 (China); and others

    2016-01-15

    Bi{sub 2}Te{sub 3} based cutting waste powders from cutting wafers were firstly selected as raw materials to prepare p-type Bi{sub 2}Te{sub 3} based thermoelectric (TE) materials. Through washing, reducing, composition correction, smelting and resistance pressing sintering (RPS) process, p-type (Bi,Sb){sub 2}Te{sub 3} alloy bulks with different nominal stoichiometries were successfully obtained. The evolution of microstructure and TE performance for (Bi,Sb){sub 2}Te{sub 3} alloys were investigated in detail. All evidences confirmed that most of contaminants from line cutting process such as cutting fluid and oxides of Bi, Sb or Te could be removed by washing, reducing and smelting process used in this work. The carrier content and corresponding TE properties could be adjusted effectively by appropriate composition correction treatment. At lastly, a bulk with a nominal stoichiometry of Bi{sub 0.44}Sb{sub 1.56}Te{sub 3} was obtained and its' dimensionless figure of merit (ZT) was about 1.16 at 90 °C. The ZT values of Bi{sub 0.36}Sb{sub 1.64}Te{sub 3} and Bi{sub 0.4}Sb{sub 1.6}Te{sub 3} alloy bulks could also reach 0.98 and 1.08, respectively. Different from the conventional recycling technology such as hydrometallurgy extraction methods, the separation and extraction of beneficial elements such as Bi, Sb and Te did not need to be performed and the Bi{sub 2}Te{sub 3} based bulks with high TE properties could be directly obtained from the cutting waste powders. In addition, the recycling technology introduced here was green and more suitable for practical industrial application. It can improve material utilization and lower raw material costs of manufacturers. - Graphical abstract: Three kinds of typical morphologies for the fractographs: typical lamellar structure, agglomerated submicron-sized granules and dispersed cubic particles from the initial cutting waste powders. - Highlights: • Bi{sub 2}Te{sub 3} based wastes were directly selected as raw materials

  18. Evolution of thermoelectric performance for (Bi,Sb)2Te3 alloys from cutting waste powders to bulks with high figure of merit

    International Nuclear Information System (INIS)

    Fan, Xi'an; Cai, Xin zhi; Han, Xue wu; Zhang, Cheng cheng

    2016-01-01

    Bi 2 Te 3 based cutting waste powders from cutting wafers were firstly selected as raw materials to prepare p-type Bi 2 Te 3 based thermoelectric (TE) materials. Through washing, reducing, composition correction, smelting and resistance pressing sintering (RPS) process, p-type (Bi,Sb) 2 Te 3 alloy bulks with different nominal stoichiometries were successfully obtained. The evolution of microstructure and TE performance for (Bi,Sb) 2 Te 3 alloys were investigated in detail. All evidences confirmed that most of contaminants from line cutting process such as cutting fluid and oxides of Bi, Sb or Te could be removed by washing, reducing and smelting process used in this work. The carrier content and corresponding TE properties could be adjusted effectively by appropriate composition correction treatment. At lastly, a bulk with a nominal stoichiometry of Bi 0.44 Sb 1.56 Te 3 was obtained and its' dimensionless figure of merit (ZT) was about 1.16 at 90 °C. The ZT values of Bi 0.36 Sb 1.64 Te 3 and Bi 0.4 Sb 1.6 Te 3 alloy bulks could also reach 0.98 and 1.08, respectively. Different from the conventional recycling technology such as hydrometallurgy extraction methods, the separation and extraction of beneficial elements such as Bi, Sb and Te did not need to be performed and the Bi 2 Te 3 based bulks with high TE properties could be directly obtained from the cutting waste powders. In addition, the recycling technology introduced here was green and more suitable for practical industrial application. It can improve material utilization and lower raw material costs of manufacturers. - Graphical abstract: Three kinds of typical morphologies for the fractographs: typical lamellar structure, agglomerated submicron-sized granules and dispersed cubic particles from the initial cutting waste powders. - Highlights: • Bi 2 Te 3 based wastes were directly selected as raw materials for TE alloys. • Contaminants from cutting fluid and oxides could be effectively removed.

  19. Microstructures and thermoelectric properties of GeSbTe based layered compounds

    Energy Technology Data Exchange (ETDEWEB)

    Yan, F.; Zhu, T.J.; Zhao, X.B. [Zhejiang University, State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Hangzhou (China); Dong, S.R. [Zhejiang University, Department of Information and Electronics Engineering, Hangzhou (China)

    2007-08-15

    Microstructures and thermoelectric properties of Ge{sub 1}Sb{sub 2}Te{sub 4} and Ge{sub 2}Sb{sub 2}Te{sub 5} chalcogenide semiconductors have been investigated to explore the possibility of their thermoelectric applications. The phase transformation from the face-centered cubic to hexagonal structure was observed in Ge{sub 2}Sb{sub 2}Te{sub 5} compounds prepared by the melt spinning technique. The Seebeck coefficient and electrical resistivity of the alloys were increased due to the enhanced scattering of charge carriers at grain boundaries. The maximum power factors of the rapidly solidified Ge{sub 1}Sb{sub 2}Te{sub 4} and Ge{sub 2}Sb{sub 2}Te{sub 5} attained 0.975 x 10{sup -3} Wm{sup -1}K{sup -2} at 750 K and 0.767 x 10{sup -3} Wm{sup -1}K{sup -2} at 643 K respectively, higher than those of water quenched counterparts, implying that thermoelectric properties of GeSbTe based layered compounds can be improved by grain refinement. The present results show this class of chalcogenide semiconductors is promising for thermoelectric applications. (orig.)

  20. Investigations on the electrodeposition behaviors of Bi0.5Sb1.5Te3 thin film from nitric acid baths

    International Nuclear Information System (INIS)

    Li Feihui; Huang Qinghua; Wang Wei

    2009-01-01

    The electrochemical reduction process of Bi 3+ , HTeO 2 + , Sb III and their mixtures in nitric acid medium was investigated by means of cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) measurements. The reduction products electrodeposited at various potentials were examined using X-ray diffraction (XRD) and energy dispersive spectroscopy (EDS). The results show that cathodic process in the nitric acid solution containing Bi 3+ , HTeO 2 + and Sb III involves the following reduction reactions in different polarizing potential ranges: In low polarizing potential ranges, Te 0 is formed firstly on the electrode surface through the electrochemical reduction of HTeO 2 + ; with the negative shift of the cathodic polarizing potential, the reduction reaction of Bi 3+ with Te 0 to form Bi 2 Te 3 takes place; when the cathodic polarizing potential is negative enough, Bi 3+ and Sb III react with Te 0 to form Bi 0.5 Sb 1.5 Te 3 . The results indicate that Bi 0.5 Sb 1.5 Te 3 films can be fabricated by controlling the electrodepositing potential in a proper high potential ranges.

  1. Synthesis and Thermoelectric Properties of Ni-Doped ZrCoSb Half-Heusler Compounds

    Directory of Open Access Journals (Sweden)

    Degang Zhao

    2018-01-01

    Full Text Available The Ni-doped ZrCo1−xNixSb half-Heusler compounds were prepared by arc-melting and spark plasma sintering technology. X-ray diffraction analysis results showed that all samples were crystallized in a half-Heusler phase. Thermoelectric properties of ZrCo1−xNixSb compounds were measured from room temperature to 850 K. The electrical conductivity and the absolute value of Seebeck coefficient increased with the Ni-doping content increasing due to the Ni substitution at Co. sites. The lattice thermal conductivity of ZrCo1−xNixSb samples was depressed dramatically because of the acoustic phonon scattering and point defect scattering. The figure of merit of ZrCo1−xNixSb compounds was improved due to the decreased thermal conductivity and improved power factor. The maximum ZT value of 0.24 was achieved for ZrCo0.92Ni0.08Sb sample at 850 K.

  2. First-principles study of the amorphous In3SbTe2 phase change compound

    Science.gov (United States)

    Los, Jan H.; Kühne, Thomas D.; Gabardi, Silvia; Bernasconi, Marco

    2013-11-01

    Ab initio molecular dynamics simulations based on density functional theory were performed to generate amorphous models of the phase change compound In3SbTe2 by quenching from the melt. In-Sb and In-Te are the most abundant bonds with only a minor fraction of Sb-Te bonds. The bonding geometry in the amorphous phase is, however, strongly dependent on the density in the range 6.448-5.75 g/cm3 that we investigated. While at high density the bonding geometry of In atoms is mostly octahedral-like as in the cubic crystalline phase of the ternary compound In3SbTe2, at low density we observed a sizable fraction of tetrahedral-like geometries similar to those present in the crystalline phase of the two binary compounds InTe and InSb that the ternary system can be thought to be made of. We show that the different ratio between octahedral-like and tetrahedral-like bonding geometries has fingerprints in the optical and vibrational spectra.

  3. Electrodeposition of textured Bi{sub 27}Sb{sub 28}Te{sub 45} nanowires with enhanced electrical conductivity

    Energy Technology Data Exchange (ETDEWEB)

    Hasan, Maksudul, E-mail: maksudul.hasan@tyndall.ie [Tyndall National Institute, University College Cork, Lee Maltings, Cork (Ireland); Gautam, Devendraprakash [Tyndall National Institute, University College Cork, Lee Maltings, Cork (Ireland); Enright, Ryan [Thermal Management Research Group, Efficient Energy Transfer Department, Bell Labs Ireland, Alcatel-Lucent Ireland Ltd., Dublin (Ireland)

    2016-04-15

    This work presents the template based pulsed potential electrodeposition technique of highly textured single crystalline bismuth antimony telluride (Bi{sub 1-x}Sb{sub x}){sub 2}Te{sub 3} nanowires from a single aqueous electrolyte. Cyclic voltammetry was used as an electroanalytical tool to assess the effect of the precursor concentrations on the composition of the deposits and to determine the deposition potential for each element. Pulsed potential electrodeposition was then applied on a gold-coated anodised alumina template to examine the effect of the pulse parameters on the composition and texture of Bi{sub 27}Sb{sub 28}Te{sub 45} nanowires. The nanowires are cylindrical in shape formed during the deposition inside the porous template and highly textured as they are decorated with sparse distribution of small crystal domains. The electrical conductivity (24.1 × 10{sup 4} S m{sup −1}) of a single nanowire was measured using a four-point probe technique implemented on a custom fabricated test chip. In this work, we demonstrated that crystal orientation with respect to the transport direction controlled by tuning the pulsed electrodeposition parameters. This allowed us to realise electrical conductivities ∼2.5 times larger than Sb doped bismuth-tellurium based ternary material systems and similar to what is typically seen in binary systems. - Highlights: • Pulsed electrodeposition is described towards fabrication of (Bi{sub 1-x}Sb{sub x}){sub 2}Te{sub 3} nanowires. • The adopted method is compatible with existing CMOS process. • The nanowires were fabricated as highly textured to enhance phonon scattering. • The electrical conductivity is ∼2.5 times larger than the current ternary materials.

  4. AgLnSb/sub 2/O/sub 7/ compounds with weberite structure

    Energy Technology Data Exchange (ETDEWEB)

    Lopatin, S S; Aver' yanova, L N; Belyaev, I N; Zvyagintsev, B I; Dyatlov, Eh V [Rostovskij-na-Donu Gosudarstvennyj Univ. (USSR)

    1982-11-01

    The interaction between AgSbO/sub 3/ and LnSbO/sub 4/ in the solid phase at 1100-1150 deg C has been investigated. AgLnSb/sub 2/O/sub 7/ compounds with weberite crystal structure are formed in Ln=La, Pr, Nd, Sm cases but in Ln=Eu, Cd, Dy, Er cases the formation of termary oxides of the indicated composition has not been observed. Inasmuch as compounds of the general formula A/sub 2/B/sub 2/O/sub 7/ with average cation radii Rsub(B) >0.60 A and 1.65 <= Rsub(A)/Rsub(B) <= 2.20 can crystallize in weberite, pyrochlore and laminated perovskite-like structurer, conditions of the existence of the above mentioned structures depending on A and B dimensions and electronegativity are discussed.

  5. Structures and electron affinity of XO30,-, XOF40,- and XO2F20,- (X = P, As, Sb, Bi): a theoretical study of novel superhalogen formulae and exceptions of superhalogen formulae

    Science.gov (United States)

    Yang, Yi-Fan; Cui, Zhong-Hua; Ding, Yi-Hong

    2015-03-01

    Most superhalogen species are in the form of oxides or halides. To enrich the family of superhalogen species, herein, we investigated the structures and electron affinity (EA) values of higher group 15 elements (X = P, As, Sb, Bi) oxyfluoride species XO30,-, XOF40,- and XO2F20,-, at the CCSD(T)/aug-cc-pVTZ-pp & aug-cc-pVTZ //B3LYP/aug-cc-pVTZ-pp & aug-cc-pVTZ levels (aug-cc-pVTZ-pp for X = Sb and Bi). Some oxyfluoride species, i.e., PO2F20,-, AsO2F20,-, SbO2F20,-, POF40,-, AsOF40,-, SbOF40,- and BiOF40,-, were found to possess higher EA (VDE: 5.0-6.2 eV; ADE: 4.5-5.5 eV) than halogens (F: 3.4 eV; Cl: 3.6 eV). Thus, we recommended that the oxyfluorides in the form of XO2F20,- and XOF40,- should be considered as potential superhalogens, which have not been considered previously. Surprisingly, we showed that BiO3 and BiO2F2, in superhalogen formulae, possess a high vertical detachment energy (VDE) yet a low adiabatic detachment energy (ADE). This is in marked contrast to the previously reported superhalogens, which generally contain both the high VDE and high ADE values. It is the first report about exceptions of superhalogen formulae. These findings revealed that for the analogous main-group compounds with the same structural formula, the difference in the metallic property of the core element could lead to the significant difference in the ground structures of either the anionic or neutral structures, which would result in the much differed superhalogen features.

  6. Preparation and crystal structure of SrCu/sub 2/Sb/sub 2/ and SrZnBi/sub 2/

    Energy Technology Data Exchange (ETDEWEB)

    Cordier, G; Eisenmann, B; Schaefer, H [Technische Hochschule Darmstadt (Germany, F.R.). Fachbereich Anorganische Chemie und Kernchemie

    1976-10-01

    SrCu/sub 2/Sb/sub 2/ and SrZnBi/sub 2/ have been prepared and analytically and structurally characterized. SrCu/sub 2/Sb/sub 2/ crystallizes tetragonal in the CaBe/sub 2/Ge/sub 2/ structure type. SrZnBi/sub 2/ has its own structure type. In both structures the transition metal atoms form with the semimetal atoms tetragonal pyramids, which are connected by common edges of the basis to twodimensional sheets. These sheets are separated in the case of SrCu/sub 2/Sb/sub 2/ by single sheets of strontium atoms, in the case of SrZnBi/sub 2/ by double sheets of strontium atoms in which fourfold nets of Bi atoms are located.

  7. Exotic topological insulator states and topological phase transitions in Sb2Se3-Bi2Se3 heterostructures

    KAUST Repository

    Zhang, Qianfan

    2012-03-27

    Topological insulator is a new state of matter attracting tremendous interest due to its gapless linear dispersion and spin momentum locking topological states located near the surface. Heterostructures, which have traditionally been powerful in controlling the electronic properties of semiconductor devices, are interesting for topological insulators. Here, we studied the spatial distribution of the topological state in Sb 2Se 3-Bi 2Se 3 heterostructures by first-principle simulation and discovered that an exotic topological state exists. Surprisingly, the state migrates from the nontrivial Bi 2Se 3 into the trivial Sb 2Se 3 region and spreads across the entire Sb 2Se 3 slab, extending beyond the concept of "surface" state while preserving all of the topological surface state characteristics. This unusual topological state arises from the coupling between different materials and the modification of electronic structure near Fermi energy. Our study demonstrates that heterostructures can open up opportunities for controlling the real-space distribution of the topological state and inducing quantum phase transitions between topologically trivial and nontrivial states. © 2012 American Chemical Society.

  8. Electronic and magnetic structures of ferrimagnetic Mn{sub 2}Sb compound

    Energy Technology Data Exchange (ETDEWEB)

    Masrour, R., E-mail: rachidmasrour@hotmail.com [Laboratory of Materials, Processes, Environment and Quality, Cady Ayyed University, National School of Applied Sciences, 63 46000 Safi (Morocco); LMPHE (URAC 12), Faculty of Science, Mohammed V-Agdal University, Rabat (Morocco); Hlil, E.K. [Institut Néel, CNRS et Université Joseph Fourier, BP 166, F-38042 Grenoble Cedex 9 (France); Hamedoun, M. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Benyoussef, A. [LMPHE (URAC 12), Faculty of Science, Mohammed V-Agdal University, Rabat (Morocco); Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Hassan II Academy of Science and Technology, Rabat (Morocco); Mounkachi, O.; El moussaoui, H. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco)

    2015-01-15

    The Self-consistent ab initio calculations, based on DFT (Density Functional Theory) approach and using FLAPW (Full potential Linear Augmented Plane Wave) method, are performed to investigate both electronic and magnetic properties of the Mn{sub 2}Sb compound. Polarized spin and spin–orbit coupling are included in calculations within the framework of the antiferromagnetic state between two adjacent Mn{sub 1} and Mn{sub 2} atoms. Magnetic moment considered to lie along (0 0 1) axes are computed. The antiferromagnetic energy of Mn{sub 2}Sb systems is obtained. Obtained data from ab initio calculations are used as input for the high temperature series expansions (HTSEs) calculations to compute other magnetic parameters. The exchange interactions between the magnetic atoms Mn{sub 1}−Mn{sub 2} in Mn{sub 2}Sb are given by using the mean field theory. The HTSEs of the magnetic susceptibility of with the magnetic moments in Mn{sub 2}Sb (m{sub Mn{sub 1}}and m{sub Mn{sub 2}}) through Ising model is given up to tenth order series in (x=J(Mn{sub 1}−Mn{sub 2})/k{sub B}T). The Néel temperature T{sub N}(K) is obtained by HTSEs applied to the magnetic susceptibility series combined with the Padé approximant method. The critical exponent γ associated with the magnetic susceptibility is deduced as well. - Highlights: • Ab initio calculations is using to investigate both electronic and magnetic properties of the Mn{sub 2}Sb compound. • Obtained data from ab initio calculations are used as input for the HTSEs. • The Néel temperature is obtained for Mn{sub 2}Sb compound.

  9. Effect of surface treatment of thermoelectric materials on the properties of thermoelements made from solid solutions of Bi2Te3-Bi2Se3 and Bi2Te3-Sb2Te3 systems

    International Nuclear Information System (INIS)

    Alieva, T.D.; Abdinov, D.Sh.; Salaev, Eh.Yu.

    1981-01-01

    Effect of surface treatment technology of samples of solid solutions of Ei 2 Te 3 -Bi 2 Se 3 and Bi 2 Te 3 -Sb 2 Te 3 systems on their thermoelectric efficiency is studied. Branches of thermoelements have been produced with the help of electroerosion or mechanical cutting of monocrystal ingots of semiconducting solid Bi 2 Te 3 -base solutions. It is shown that in case of the treatment of side surfaces of branches of thermoelements produced of monocrystals of Bi 2 Te 3 base solid solutions their thermoelectrical efficiency grows considerably. Maximum growth of efficiency (approximately 20%) is observed during mechanical grinding of branches surfaces with diamond paste with the following chemical or electrochemical etching [ru

  10. A study on non-crystalline BiPbSbSrCaCuO and its heat treatment effect

    International Nuclear Information System (INIS)

    Zhang Hong; Wu Hong; Hu Suhui

    1993-01-01

    In this work positron annihilation spectroscopy, X ray diffraction, differential thermal analysis, scanning electron microscopy and ac susceptibility measurement have been used to study non-crystalline Bi-Pb-Sb-Sr-Ca-Cu-O and the effect of heat treatment. The crystallization temperature T c is around 450-470 degree C for investigated materials. There are low temperature and high temperature structure relaxation as in metallic glasses from room temperature to glass temperature. For T>T c in the crystallized multiphase the low n phase can transform to high n phase by reaction diffusion and T c can reach near 110 K by 850 degree C annealing. The positron annihilation characteristics are sensitive to phase transformation and the electron density sampled by positrons in the non-crystal is lower than that in crystallized one. The doping of Pb and Sb together is of benefit to forming of non-crystal but narrows the temperature range of the viscous state

  11. Quantum spin Hall effect and topological phase transition in InN x Bi y Sb1-x-y /InSb quantum wells

    Science.gov (United States)

    Song, Zhigang; Bose, Sumanta; Fan, Weijun; Zhang, Dao Hua; Zhang, Yan Yang; Shen Li, Shu

    2017-07-01

    Quantum spin Hall (QSH) effect, a fundamentally new quantum state of matter and topological phase transitions are characteristics of a kind of electronic material, popularly referred to as topological insulators (TIs). TIs are similar to ordinary insulator in terms of their bulk bandgap, but have gapless conducting edge-states that are topologically protected. These edge-states are facilitated by the time-reversal symmetry and they are robust against nonmagnetic impurity scattering. Recently, the quest for new materials exhibiting non-trivial topological state of matter has been of great research interest, as TIs find applications in new electronics and spintronics and quantum-computing devices. Here, we propose and demonstrate as a proof-of-concept that QSH effect and topological phase transitions can be realized in {{InN}}x{{Bi}}y{{Sb}}1-x-y/InSb semiconductor quantum wells (QWs). The simultaneous incorporation of nitrogen and bismuth in InSb is instrumental in lowering the bandgap, while inducing opposite kinds of strain to attain a near-lattice-matching conducive for lattice growth. Phase diagram for bandgap shows that as we increase the QW thickness, at a critical thickness, the electronic bandstructure switches from a normal to an inverted type. We confirm that such transition are topological phase transitions between a traditional insulator and a TI exhibiting QSH effect—by demonstrating the topologically protected edge-states using the bandstructure, edge-localized distribution of the wavefunctions and edge-state spin-momentum locking phenomenon, presence of non-zero conductance in spite of the Fermi energy lying in the bandgap window, crossover points of Landau levels in the zero-mode indicating topological band inversion in the absence of any magnetic field and presence of large Rashba spin-splitting, which is essential for spin-manipulation in TIs.

  12. Exceptional magneto-resistance in 3D Dirac semimetal Bi0.96Sb0.04

    Science.gov (United States)

    Kumar, P.; Nagpal, V.; Sudesh, Patnaik, S.

    2017-05-01

    Recent experimental evidence for Weyl fermions in topological semimetals has attracted considerable attention. These materials are three-dimensional analogue of graphene. The present work is motivated by the recent prediction of Weyl semi-metallic phase in Bi1-xSbx alloys. In this paper we present the electronic transport properties studied under high applied magnetic fields in Bi0.96Sb0.04 alloys. The sample exhibits extremely high magneto-resistance; MR(5 K, 8 T) = 9.8×104 %. This value is comparable to the MR observed in recently discovered other members of these emergent materials. Most importantly, this composition shows large MR at room temperature, MR (300 K, 8 T) = 435%, which is almost twice to that observed in Dirac semimetal Cd3As2 (= 200 % at 14.5 T) and Weyl semimetal NbP (= 250% at 9 T). We also discuss single crystal growth technique as well as Hall measurement data.

  13. Structural, hyperfine and Raman properties of RE2FeSbO7 compounds

    International Nuclear Information System (INIS)

    Berndt, G.; Silva, K.L.; Ivashita, F.F.; Paesano, A.; Blanco, M.C.; Miner, E.V.P.; Carbonio, R.E.; Dantas, S.M.; Ayala, A.P.; Isnard, O.

    2015-01-01

    Highlights: • We prepared monophasic RE 2 FeSbO 7 pyrochlores. • RE 2 FeSbO 7 compounds were characterized regarding crystallographic, vibrational and hyperfine properties. • We find out that a site disorder takes place for the RE’s of larger ionic radii. • Lattice parameters, Raman bands and quadrupole splittings were shown to depend correlatedly on the RE ionic radius. - Abstract: Pyrochlores of the RE 2 FeSbO 7 type were synthesized by ball-milling followed by annealing in free atmosphere at high temperatures. The samples prepared were characterized by X-ray diffraction, Raman spectroscopy and 57 Fe Mössbauer spectroscopy, at room temperature. The results showed that RE 2 FeSbO 7 compounds have a cubic structure, i.e., Fd-3m (#227) space group, and that a site disorder takes place for the RE’s of larger ionic radii. Lattice parameters, Raman bands and quadrupole splittings were shown to depend correlatedly on the RE ionic radius. This behavior is discussed in terms of the pyrochlore crystallographic structure

  14. Formation of Dense Pore Structure by Te Addition in Bi0.5Sb1.5Te3: An Approach to Minimize Lattice Thermal Conductivity

    Directory of Open Access Journals (Sweden)

    Syed Waqar Hasan

    2013-01-01

    Full Text Available We herein report the electronic and thermal transport properties of p-type Bi0.5Sb1.5Te3 polycrystalline bulks with dense pore structure. Dense pore structure was fabricated by vaporization of residual Te during the pressureless annealing of spark plasma sintered bulks of Te coated Bi0.5Sb1.5Te3 powders. The lattice thermal conductivity was effectively reduced to the value of 0.35 W m−1 K−1 at 300 K mainly due to the phonon scattering by pores, while the power factor was not significantly affected. An enhanced ZT of 1.24 at 300 K was obtained in spark plasma sintered and annealed bulks of 3 wt.% Te coated Bi0.5Sb1.5Te3 by these synergetic effects.

  15. Slurry sampling flow injection chemical vapor generation inductively coupled plasma mass spectrometry for the determination of trace Ge, As, Cd, Sb, Hg and Bi in cosmetic lotions

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Wei-Ni [Department of Chemistry, National Sun Yat-sen University, Kaohsiung 80424, Taiwan (China); Jiang, Shiuh-Jen, E-mail: sjjiang@faculty.nsysu.edu.tw [Department of Chemistry, National Sun Yat-sen University, Kaohsiung 80424, Taiwan (China); Department of Medical Laboratory Science and Biotechnology, Kaohsiung Medical University, Kaohsiung 80708, Taiwan (China); Chen, Yen-Ling [Department of Fragrance and Cosmetic Science, Kaohsiung Medical University, Kaohsiung 80708, Taiwan (China); Sahayam, A.C. [National Centre for Compositional Characterisation of Materials (CCCM), Hyderabad (India)

    2015-02-20

    Highlights: • Determination of Ge, As, Cd, Sb, Hg and Bi in cosmetic lotions in a single run. • Accurate analysis using isotope dilution and standard addition methods. • Vapor generation ICP-MS yielded superior detection limits compared to ETV-ICP-MS. • No sample dissolution increased sample through put. • Analysis of GBW09305 Cosmetic (Cream) reference material for accuracy. - Abstract: A slurry sampling inductively coupled plasma mass spectrometry (ICP-MS) method has been developed for the determination of Ge, As, Cd, Sb, Hg and Bi in cosmetic lotions using flow injection (FI) vapor generation (VG) as the sample introduction system. A slurry containing 2% m/v lotion, 2% m/v thiourea, 0.05% m/v L-cysteine, 0.5 μg mL{sup −1} Co(II), 0.1% m/v Triton X-100 and 1.2% v/v HCl was injected into a VG-ICP-MS system for the determination of Ge, As, Cd, Sb, Hg and Bi without dissolution and mineralization. Because the sensitivities of the analytes in the slurry and that of aqueous solution were quite different, an isotope dilution method and a standard addition method were used for the determination. This method has been validated by the determination of Ge, As, Cd, Sb, Hg and Bi in GBW09305 Cosmetic (Cream) reference material. The method was also applied for the determination of Ge, As, Cd, Sb, Hg and Bi in three cosmetic lotion samples obtained locally. The analysis results of the reference material agreed with the certified value and/or ETV-ICP-MS results. The detection limit estimated from the standard addition curve was 0.025, 0.1, 0.2, 0.1, 0.15, and 0.03 ng g{sup −1} for Ge, As, Cd, Sb, Hg and Bi, respectively, in original cosmetic lotion sample.

  16. Slurry sampling flow injection chemical vapor generation inductively coupled plasma mass spectrometry for the determination of trace Ge, As, Cd, Sb, Hg and Bi in cosmetic lotions

    International Nuclear Information System (INIS)

    Chen, Wei-Ni; Jiang, Shiuh-Jen; Chen, Yen-Ling; Sahayam, A.C.

    2015-01-01

    Highlights: • Determination of Ge, As, Cd, Sb, Hg and Bi in cosmetic lotions in a single run. • Accurate analysis using isotope dilution and standard addition methods. • Vapor generation ICP-MS yielded superior detection limits compared to ETV-ICP-MS. • No sample dissolution increased sample through put. • Analysis of GBW09305 Cosmetic (Cream) reference material for accuracy. - Abstract: A slurry sampling inductively coupled plasma mass spectrometry (ICP-MS) method has been developed for the determination of Ge, As, Cd, Sb, Hg and Bi in cosmetic lotions using flow injection (FI) vapor generation (VG) as the sample introduction system. A slurry containing 2% m/v lotion, 2% m/v thiourea, 0.05% m/v L-cysteine, 0.5 μg mL −1 Co(II), 0.1% m/v Triton X-100 and 1.2% v/v HCl was injected into a VG-ICP-MS system for the determination of Ge, As, Cd, Sb, Hg and Bi without dissolution and mineralization. Because the sensitivities of the analytes in the slurry and that of aqueous solution were quite different, an isotope dilution method and a standard addition method were used for the determination. This method has been validated by the determination of Ge, As, Cd, Sb, Hg and Bi in GBW09305 Cosmetic (Cream) reference material. The method was also applied for the determination of Ge, As, Cd, Sb, Hg and Bi in three cosmetic lotion samples obtained locally. The analysis results of the reference material agreed with the certified value and/or ETV-ICP-MS results. The detection limit estimated from the standard addition curve was 0.025, 0.1, 0.2, 0.1, 0.15, and 0.03 ng g −1 for Ge, As, Cd, Sb, Hg and Bi, respectively, in original cosmetic lotion sample

  17. Magnetic susceptibility of Dirac fermions, Bi-Sb alloys, interacting Bloch fermions, dilute nonmagnetic alloys, and Kondo alloys

    Energy Technology Data Exchange (ETDEWEB)

    Buot, Felix A., E-mail: fbuot@gmu.edu [Computational Materials Science Center, George Mason University, Fairfax, VA 22030 (United States); TCSE Center, Spintronics Group, Physics Department, University of San Carlos, Talamban, Cebu 6000 (Philippines); C& LB Research Institute, Carmen, Cebu 6005 (Philippines); Otadoy, Roland E.S.; Rivero, Karla B. [TCSE Center, Spintronics Group, Physics Department, University of San Carlos, Talamban, Cebu 6000 (Philippines)

    2017-03-01

    Wide ranging interest in Dirac Hamiltonian is due to the emergence of novel materials, namely, graphene, topological insulators and superconductors, the newly-discovered Weyl semimetals, and still actively-sought after Majorana fermions in real materials. We give a brief review of the relativistic Dirac quantum mechanics and its impact in the developments of modern physics. The quantum band dynamics of Dirac Hamiltonian is crucial in resolving the giant diamagnetism of bismuth and Bi-Sb alloys. Quantitative agreement of the theory with the experiments on Bi-Sb alloys has been achieved, and physically meaningful contributions to the diamagnetism has been identified. We also treat relativistic Dirac fermion as an interband dynamics in uniform magnetic fields. For the interacting Bloch electrons, the role of translation symmetry for calculating the magnetic susceptibility avoids any approximation to second order in the field. The expressions for magnetic susceptibility of dilute nonmagnetic alloys give a firm theoretical foundation of the empirical formulas used in fitting experimental results. The unified treatment of all the above calculations is based on the lattice Weyl-Wigner formulation of discrete phase-space quantum mechanics. For completeness, the magnetic susceptibility of Kondo alloys is also given since Dirac fermions in conduction band and magnetic impurities exhibit Kondo effect.

  18. Structure and thermoelectric property of Te doped paracostibite CoSb1-xTexS compounds

    Science.gov (United States)

    You, Yonghui; Su, Xianli; Liu, Wei; Yan, Yonggao; Fu, Jiefei; Cheng, Xin; Zhang, Cheng; Tang, Xinfeng

    2018-06-01

    Paracostibite (CoSbS), a newly developed thermoelectric material, has aroused lots of interest due to its highly earth abundant and inexpensive constituent elements and potential application for thermoelectric power generation in the intermediate temperature range. Herein, a series of CoSb1-xTexS (x = 0-0.09) compounds were prepared by vacuum melting and annealing followed by SPS processing, and the effects of Te doping on the structure and thermoelectric properties were systematically investigated. Doping Te on the Sb site increases the carrier concentration up to 7.24 × 1020 cm-3 for CoSb0.93Te0.07S compound which is several orders of magnitude higher than that of un-doped CoSbS, and enhances the power factor. The maximum power factor of 14.07 μW cm-1 K-2 is attained at 900 K. Concomitantly, doping with Te on the Sb site leads to effective scattering of heat carrying phonon, accompanying with a strong suppression of the thermal conductivity with the increase of Te content, resulting in an increase of the ZT. A maximum ZT of 0.43 at 900 K is attained for CoSb0.93Te0.07S compound, which is 139% higher than that of un-doped CoSbS compound.

  19. First-principles study of electronic and optical properties of lead-free double perovskites Cs2NaBX6 (B = Sb, Bi; X = Cl, Br, I)

    Science.gov (United States)

    Zhao, Shuai; Yamamoto, Kumiko; Iikubo, Satoshi; Hayase, Shuzi; Ma, Tingli

    2018-06-01

    Organolead halide perovskite is regarded as the most promising light-harvesting material for next-generation solar cells; however, the intrinsic instability and toxicity of lead are still of great concern. Bismuth is ecofriendly and has electronic properties similar to those of lead, which has gradually attracted interest for optoelectronic applications. However, the valence state of bismuth is different from that of lead, eliminating the possibility of replacing lead by bismuth in organolead halide perovskites. To address this matter, one feasible strategy is to construct B-site double perovskites by the combination of Bi3+ and B+ in 1:1 ratio. In this work, lead-free halide double perovskites of the form Cs2NaBX6 (B = Sb, Bi; X = Cl, Br, I) were investigated by first-principles calculations. The electronic properties, optical absorption coefficients, and thermodynamic stability of these compounds were investigated to ascertain their potential application in solar energy conversion. The results provide theoretical support for the exploration of lead-free perovskite materials in potential optoelectronic applications.

  20. Evaluation of the effect of Bi, Sb, Sr and cooling condition on eutectic phases in an Al–Si–Cu alloy (ADC12) by in situ thermal analysis

    Energy Technology Data Exchange (ETDEWEB)

    Farahany, S., E-mail: saeedfarahany@gmail.com [Department of Materials Engineering, Faculty of Mechanical Engineering, Universiti Teknologi Malaysia (UTM), 81310 Johor Bahru (Malaysia); Ourdjini, A.; Idrsi, M.H. [Department of Materials Engineering, Faculty of Mechanical Engineering, Universiti Teknologi Malaysia (UTM), 81310 Johor Bahru (Malaysia); Shabestari, S.G. [Center of Excellence for High Strength Alloys Technology (CEHSAT), School of Metallurgy and Materials Engineering, Iran University of Science and Technology (IUST), 16846-13114 Tehran (Iran, Islamic Republic of)

    2013-05-10

    Highlights: • Combined effect of Bi, Sb and Sr additions, and cooling condition was evaluated. • Two different scenarios of recalecense in response to cooling rate were observed. • Fraction solid increased in the order of Sr > Bi > Sb, corresponds to Si morphologies. • Only Bi decreased the nucleation temperature of Al{sub 2}Cu eutectic phase. - Abstract: Al–Si and Al–Cu eutectic phases strongly affect the properties of Al–Si–Cu cast alloys. The characteristic parameters of these two eutectic phases with addition of bismuth, antimony and strontium under different cooling rates (0.6–2 °C/s) were investigated in ADC12 alloy using in situ thermal analysis. Results show that additives affect the Al–Si phase more than the Al–Cu (Al{sub 2}Cu) phase. Addition elements showed two different scenarios in response to cooling rate in terms of recalescence of the Al–Si eutectic phase. Both Bi and Sb caused an increase in recalescence with increased cooling rate but Sr addition reduced the recalescence. Additions of Sb and Sr increased the nucleation temperature of Al{sub 2}Cu, but addition of Bi produced an opposite effect. There seems to be relationship between the solidification temperature range and fraction solid of Al–Si and Al{sub 2}Cu eutectic phases. As the cooling rate increases the fraction solid of Al–Si decreased and that of Al{sub 2}Cu increased.

  1. Evaluation of the effect of Bi, Sb, Sr and cooling condition on eutectic phases in an Al–Si–Cu alloy (ADC12) by in situ thermal analysis

    International Nuclear Information System (INIS)

    Farahany, S.; Ourdjini, A.; Idrsi, M.H.; Shabestari, S.G.

    2013-01-01

    Highlights: • Combined effect of Bi, Sb and Sr additions, and cooling condition was evaluated. • Two different scenarios of recalecense in response to cooling rate were observed. • Fraction solid increased in the order of Sr > Bi > Sb, corresponds to Si morphologies. • Only Bi decreased the nucleation temperature of Al 2 Cu eutectic phase. - Abstract: Al–Si and Al–Cu eutectic phases strongly affect the properties of Al–Si–Cu cast alloys. The characteristic parameters of these two eutectic phases with addition of bismuth, antimony and strontium under different cooling rates (0.6–2 °C/s) were investigated in ADC12 alloy using in situ thermal analysis. Results show that additives affect the Al–Si phase more than the Al–Cu (Al 2 Cu) phase. Addition elements showed two different scenarios in response to cooling rate in terms of recalescence of the Al–Si eutectic phase. Both Bi and Sb caused an increase in recalescence with increased cooling rate but Sr addition reduced the recalescence. Additions of Sb and Sr increased the nucleation temperature of Al 2 Cu, but addition of Bi produced an opposite effect. There seems to be relationship between the solidification temperature range and fraction solid of Al–Si and Al 2 Cu eutectic phases. As the cooling rate increases the fraction solid of Al–Si decreased and that of Al 2 Cu increased

  2. Magnetic and Electrical Transport Properties of Dirac Compound BaMnSb2*

    Science.gov (United States)

    Huang, Silu; Kim, Jisun; Shelton, William. A.; Plummer, Ward; Jin, Rongying

    BaMnSb2 is a layered compound containing Sb square nets that is theoretically predicted to host Dirac fermions. We have carried out experimental investigations on electrical transport and magnetic properties of BaMnSb2 single crystals. Both in-plane (ρab) and c-axis (ρc) resistivities show metallic behavior with a small bump in ρc located near 40 K, while there is large anisotropy ρc / ρab ( 100 at 300 K) that increases with decreasing temperature to 1500 at 2 K. Interestingly, Shubnikov-de Hass (SdH) oscillations are observed for both ρab and ρc over a wide temperature and magnetic field range. Quantitative analysis indicates that large amplitude SdH oscillations result from nearly massless Dirac Fermions. Furthermore, our magnetic measurements indicate an A-type antiferromagnetic magnetic ordering below 286 K where ferromagnetic ordering is observed in the ab plane with antiferromagnetic coupling along the c direction. These results indicate that BaMnSb2 is a 2D magnetic Dirac material. This work is supported by NSF through Grant Number DMR-1504226.

  3. Influence of the exchange and correlation functional on the structure of amorphous InSb and In3SbTe2 compounds

    Science.gov (United States)

    Gabardi, Silvia; Caravati, Sebastiano; Los, Jan H.; Kühne, Thomas D.; Bernasconi, Marco

    2016-05-01

    We have investigated the structural, vibrational, and electronic properties of the amorphous phase of InSb and In3SbTe2 compounds of interest for applications in phase change non-volatile memories. Models of the amorphous phase have been generated by quenching from the melt by molecular dynamics simulations based on density functional theory. In particular, we have studied the dependence of the structural properties on the choice of the exchange-correlation functional. It turns out that the use of the Becke-Lee-Yang-Parr functional provides models with a much larger fraction of In atoms in a tetrahedral bonding geometry with respect to previous results obtained with the most commonly used Perdew-Becke-Ernzerhof functional. This outcome is at odd with the properties of Ge2Sb2Te5 phase change compound for which the two exchange-correlation functionals yield very similar results on the structure of the amorphous phase.

  4. Influence of the exchange and correlation functional on the structure of amorphous InSb and In3SbTe2 compounds

    International Nuclear Information System (INIS)

    Gabardi, Silvia; Caravati, Sebastiano; Bernasconi, Marco; Los, Jan H.; Kühne, Thomas D.

    2016-01-01

    We have investigated the structural, vibrational, and electronic properties of the amorphous phase of InSb and In 3 SbTe 2 compounds of interest for applications in phase change non-volatile memories. Models of the amorphous phase have been generated by quenching from the melt by molecular dynamics simulations based on density functional theory. In particular, we have studied the dependence of the structural properties on the choice of the exchange-correlation functional. It turns out that the use of the Becke-Lee-Yang-Parr functional provides models with a much larger fraction of In atoms in a tetrahedral bonding geometry with respect to previous results obtained with the most commonly used Perdew-Becke-Ernzerhof functional. This outcome is at odd with the properties of Ge 2 Sb 2 Te 5 phase change compound for which the two exchange-correlation functionals yield very similar results on the structure of the amorphous phase.

  5. New pathway for the formation of metallic cubic phase Ge-Sb-Te compounds induced by an electric current.

    Science.gov (United States)

    Park, Yong-Jin; Cho, Ju-Young; Jeong, Min-Woo; Na, Sekwon; Joo, Young-Chang

    2016-02-23

    The novel discovery of a current-induced transition from insulator to metal in the crystalline phase of Ge2Sb2Te5 and GeSb4Te7 have been studied by means of a model using line-patterned samples. The resistivity of cubic phase Ge-Sb-Te compound was reduced by an electrical current (~1 MA/cm(2)), and the final resistivity was determined based on the stress current density, regardless of the initial resistivity and temperature, which indicates that the conductivity of Ge-Sb-Te compound can be modulated by an electrical current. The minimum resistivity of Ge-Sb-Te materials can be achieved at high kinetic rates by applying an electrical current, and the material properties change from insulating to metallic behavior without a phase transition. The current-induced metal transition is more effective in GeSb4Te7 than Ge2Sb2Te5, which depends on the intrinsic vacancy of materials. Electromigration, which is the migration of atoms induced by a momentum transfer from charge carriers, can easily promote the rearrangement of vacancies in the cubic phase of Ge-Sb-Te compound. This behavior differs significantly from thermal annealing, which accompanies a phase transition to the hexagonal phase. This result suggests a new pathway for modulating the electrical conductivity and material properties of chalcogenide materials by applying an electrical current.

  6. Diffraction and spectroscopic study of pyrochlores Bi{sub 2−x}Fe{sub 1+x}SbO{sub 7}

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Qingdi; Blanchard, Peter E.R. [School of Chemistry, The University of Sydney, Sydney, NSW 2006 (Australia); Kennedy, Brendan J., E-mail: kennedyb@chem.usyd.edu.au [School of Chemistry, The University of Sydney, Sydney, NSW 2006 (Australia); Ling, Chris D.; Liu, Samuel [School of Chemistry, The University of Sydney, Sydney, NSW 2006 (Australia); Avdeev, Max [Australian Nuclear Science and Technology Organisation, Lucas Heights, New South Wales 2234 (Australia); Aitken, Jade B. [Australian Synchrotron, 800 Blackburn Road, Clayton, Victoria 3168 (Australia); Institute of Materials Structure Science, KEK, Tsukuba, Ibaraki 305-0801 (Japan); School of Chemistry, The University of Sydney, Sydney, NSW 2006 (Australia); Tadich, Anton; Brand, Helen E.A. [Australian Synchrotron, 800 Blackburn Road, Clayton, Victoria 3168 (Australia)

    2014-03-15

    Highlights: • Fe rich pyrochlores of the type Bi{sub 2−x}Fe{sub 1+x}SbO{sub 7} were prepared by solid state methods. • Structures determined using a combination of neutron and synchrotron X-ray diffraction. • Fe partially occupies the 8-coordinate site. • Dispacive disorder of the Bi cations observed as a consequence of the 6s{sup 2} electrons. • Non-Vegard behaviour seen at low Fe contents due to disorder. -- Abstract: The structural and electronic properties of the series Bi{sub 2−x}Fe{sub 1+x}SbO{sub 7} (0 ⩽ x ⩽ 0.6) were investigated using a combination of diffraction and spectroscopy. Synchrotron and neutron diffraction analysis show that Fe{sup 3+} cations substitute for Bi{sup 3+} onto the A site with increasing x, which was further confirmed by analysis of the Fe K/L-edge X-ray absorption near-edge spectra. The diffraction analysis indicated the presence of displacive disorder along the A{sub 2}O chains, likely the result of the Bi{sup 3+} 6s{sup 2} lone pair, as well as non-Vegard-like behaviour of the lattice parameters in the Fe-poor region. Fe K-edge extended X-ray absorption fine-structure analysis of Bi{sub 2}FeSbO{sub 7} confirmed the displacive disorder of the Bi{sup 3+} cations as well as Sb{sup 5+} and Fe{sup 3+} disorder on the B site.

  7. Enhanced thermoelectric figure-of-merit in Bi-Sb-Te nanocomposites with homogenously dispersed oxide ceramic ZrO2 nanoparticles

    Science.gov (United States)

    Madavali, B.; Kim, H. S.; Lee, K. H.; Hong, S. J.

    2017-06-01

    In this research, p-type BiSbTe/ZrO2 nanocomposite powders were fabricated by high-energy ball milling. Different weight percentages of ZrO2 (2, 4, and 6 wt. %) nanoparticles were incorporated into the bulk (BiSbTe) matrix by consolidation of as-synthesized nanocomposites (NCs) powder by spark plasma sintering at 673 K. The phase and existence of ZrO2 nano-inclusions was confirmed by X-ray diffraction and transmission electron microscopy-selected area electron diffraction analysis. The Seebeck coefficient of the BiSbTe/ZrO2 NCs was significantly improved (˜36% for 4 wt. % added NCs) by a decrease in the carrier concentration and energy filtering effect, whereas the thermal conductivity was much reduced via strong scattering of carriers/phonons. The peak thermoelectric figure-of-merit (1.34 ± 0.06) was obtained for BiSbTe into which 2 wt. % ZrO2 was dispersed, which was approximately 20% greater than that of the undispersed sample. The hardness of the nanocomposites was significantly improved (˜27%) due to grain-boundary hardening and a dispersion strengthening mechanism.

  8. Interaction between counter-propagating quantum Hall edge channels in the 3D topological insulator BiSbTeSe2

    NARCIS (Netherlands)

    Li, C.; De Ronde, B.; Nikitin, A.; Huang, Y.; Golden, M.S.; De Visser, A.; Brinkman, A.

    2017-01-01

    The quantum Hall effect is studied in the topological insulator BiSbTeSe2. By employing top- and back-gate electric fields at high magnetic field, the Landau levels of the Dirac cones in the top and bottom topological surface states can be tuned independently. When one surface is tuned to the

  9. Influence of the exchange and correlation functional on the structure of amorphous InSb and In3SbTe2 compounds

    OpenAIRE

    Gabardi, Silvia; Caravati, Sebastiano; Los, Jan H; Kühne, Thomas D; Bernasconi, Marco

    2016-01-01

    We have investigated the structural, vibrational, and electronic properties of the amorphous phase of InSb and In3SbTe2 compounds of interest for applications in phase change non-volatile memories. Models of the amorphous phase have been generated by quenching from the melt by molecular dynamics simulations based on density functional theory. In particular, we have studied the dependence of the structural properties on the choice of the exchange-correlation functional. It turns out that the u...

  10. Synthesis and characterization of Fe-Ti-Sb intermetallic compounds: Discovery of a new Slater-Pauling phase

    Science.gov (United States)

    Naghibolashrafi, N.; Keshavarz, S.; Hegde, Vinay I.; Gupta, A.; Butler, W. H.; Romero, J.; Munira, K.; LeClair, P.; Mazumdar, D.; Ma, J.; Ghosh, A. W.; Wolverton, C.

    2016-03-01

    Compounds of Fe, Ti, and Sb were prepared using arc melting and vacuum annealing. Fe2TiSb , expected to be a full Heusler compound crystallizing in the L 21 structure, was shown by XRD and SEM analyses to be composed of weakly magnetic grains of nominal composition Fe1.5TiSb with iron-rich precipitates in the grain boundaries. FeTiSb, a composition consistent with the formation of a half-Heusler compound, also decomposed into Fe1.5TiSb grains with Ti-Sb rich precipitates and was weakly magnetic. The dominant Fe1.5TiSb phase appears to crystallize in a defective L 21 -like structure with iron vacancies. Based on this finding, a first-principles DFT-based binary cluster expansion of Fe and vacancies on the Fe sublattice of the L 21 structure was performed. Using the cluster expansion, we computationally scanned >103 configurations and predict a novel, stable, nonmagnetic semiconductor phase to be the zero-temperature ground state. This new structure is an ordered arrangement of Fe and vacancies, belonging to the space group R 3 m , with composition Fe1.5TiSb , i.e., between the full- and half-Heusler compositions. This phase can be visualized as alternate layers of L 21 phase Fe2TiSb and C 1b phase FeTiSb, with layering along the [111] direction of the original cubic phases. Our experimental results on annealed samples support this predicted ground-state composition, but further work is required to confirm that the R 3 m structure is the ground state.

  11. Pressure-induced phase transition and octahedral tilt system change of Ba2BiSbO6

    International Nuclear Information System (INIS)

    Lufaso, Michael W.; Macquart, Rene B.; Lee, Yongjae; Vogt, Thomas; Loye, Hans-Conrad zur

    2006-01-01

    High-resolution X-ray synchrotron powder diffraction studies under high-pressure conditions are reported for the ordered double perovskite Ba 2 BiSbO 6 . Near 4GPa, the oxide undergoes a pressure-induced phase transition. The symmetry of the material changes during the phase transition from space group R3-bar to space group I2/m, which is consistent with a change in the octahedral tilting distortion from an a - a - a - type to a 0 b - b - type using the Glazer notation. A fit of the volume-pressure data using the Birch-Murnagaham equation of state yielded a bulk modulus of 144(8)GPa for the rhombohedral phase

  12. Ternary rare-earth bismuthides RE5SiBi2 and RE5GeBi2 (RE=La-Nd, Gd-Er): Stabilization of the β-Yb5Sb3-type structure through tetrel substitution

    International Nuclear Information System (INIS)

    Barry, Stephen D.; Tkachuk, Andriy V.; Bie, Haiying; Blanchard, Peter E.R.; Mar, Arthur

    2011-01-01

    Ternary bismuthides RE 5 TtBi 2 containing rare-earth (RE=La-Nd, Gd-Er) and tetrel (Tt=Si, Ge) atoms have been prepared by arc-melting of the elements followed by annealing at 800 o C. They adopt the β-Yb 5 Sb 3 -type structure (Pearson symbol oP32, space group Pnma, Z=4), as revealed through analysis by single-crystal X-ray diffraction on Ce 5 Si 0.869(4) Bi 2.131(4) and powder X-ray diffraction on Ce 5 GeBi 2 . Cell parameters for the entire series lie in the ranges of a=12.8-11.8 A, b=9.6-9.0 A, and c=8.4-7.9 A. Solid solubility in Ce 5 Si x Bi 3-x and Pr 5 Si x Bi 3-x (approximately 0.9≤x≤1.2, depending on the RE member) is much more limited compared to the antimonides, consistent with a highly ordered structure in which the two possible anion sites are essentially segregated into a smaller one occupied by Tt atoms (CN7) and a larger one occupied by Bi atoms (CN9). Band structure calculations on La 5 SiBi 2 confirm the importance of La-La bonding interactions near the Fermi level. X-ray photoelectron spectra support the presence of partially anionic Bi atoms, as indicated by a small negative binding energy shift relative to elemental Bi. The Ce and Pr members undergo magnetic transitions at low temperatures, possibly involving ferromagnetic interactions, that are strongly influenced by the nature of the Tt atom. -- Graphical Abstract: Tetrel (Si or Ge) and Bi atoms are arranged in an ordered manner in the β-Yb 5 Sb 3 -type structure adopted by RE 5 TtBi 2 . Display Omitted

  13. Observation of strong ferromagnetism in the half-Heusler compound CoTiSb system

    Energy Technology Data Exchange (ETDEWEB)

    Sedeek, K., E-mail: KamiliaSedeek@yahoo.com; Hantour, H.; Makram, N.; Said, Sh. A.

    2016-06-01

    Strong ferromagnetism has been detected in the semiconducting half-Heusler CoTiSb compound. The synthesis process was carried out by direct fusion of highly pure Co, Ti, and Sb in an evacuated quartz tube. The structural, micro structural and magnetic properties were investigated. The crystal structure was refined from X-ray powder diffraction data by the Rietveld method. Applying the search match program, three nano-crystalline phases of CoTiSb, Ti{sub 3}Sb and CoTi{sub 2} (50%, 33.3% and 16.7% respectively) were identified for the prepared system. The term “phase” is used to address the co-existence of different stable chemical composition for the same half-Heusler alloy. The scanning electron microscope SEM and the high resolution transmission electron microscope HR-TEM were applied to characterize the morphology, size, shape, crystallinity and lattice spacing. A mixture of ordered and disordered arrangement was detected. Well defined nano-crystalline structure with an average interatomic distance equals 0.333 nm and sharp diffraction spots were measured. Contrary to this, the HR-TEM and electron diffraction image shows distorted structured planes and smeared halo surrounded by weak rings. Thermo-magnetic measurements (M–T) have been measured between 640 °K and 920 °K. Clear magnetic phase transition is detected above 900 °K (T{sub c}), in addition to a second possible phase transition (T{sub FF}) around 740 °K. The latter is clarified by plotting ΔM/ΔT vs. T. To determine the type of the detected phase transitions, the field dependence of magnetization was measured at 300 °K and 740 °K. Arrot plots (M{sup 2}−H/M) confirm the ferromagnetic character at both temperatures. It may be reasonable to assume the T{sub FF} transition as an additional ferromagnetic contribution stemming from some sort of exchange interactions. A tentative magnetic phase diagram is given. Overall, the present results suggest that the prepared multiphases CoTiSb system does

  14. Preparation and Thermoelectric Properties of Graphite/Bi0.5Sb1.5Te3 Composites

    Science.gov (United States)

    Hu, Wenhua; Zhou, Hongyu; Mu, Xin; He, Danqi; Ji, Pengxia; Hou, Weikang; Wei, Ping; Zhu, Wanting; Nie, Xiaolei; Zhao, Wenyu

    2018-06-01

    Bismuth telluride zone-melting alloys are the most commercially used thermoelectric materials. However, the zone-melting ingots have weak machinability due to the strong preferred orientation. Here, non-textured graphite/Bi0.5Sb1.5Te3 (G/BST) composites were prepared by a powder metallurgy method combined with cold-pressing and annealing treatments. The composition, microstructure, and thermoelectric properties of the G/BST composites with different mass percentages of G were investigated. It was found that G addition could effectively reduce the thermal conductivity and slightly improve the electrical properties of the BST, which resulted in a large enhancement in the figure-of-merit, ZT. The largest ZT for the xG/BST composites with x = 0.05% reached 1.05 at 320 K, which is increased by 35% as compared with that of the G-free BST materials. This work provided an effective method for preparing non-textured Bi2Te3-based TE materials with a simple process, low cost, and large potential in scale production.

  15. Evidence of β-antimonene at the Sb/Bi2Se3 interface

    Science.gov (United States)

    Flammini, R.; Colonna, S.; Hogan, C.; Mahatha, S. K.; Papagno, M.; Barla, A.; Sheverdyaeva, P. M.; Moras, P.; Aliev, Z. S.; Babanly, M. B.; Chulkov, E. V.; Carbone, C.; Ronci, F.

    2018-02-01

    We report a study of the interface between antimony and the prototypical topological insulator Bi2Se3. Scanning tunnelling microscopy measurements show the presence of ordered domains displaying a perfect lattice match with bismuth selenide. Density functional theory calculations of the most stable atomic configurations demonstrate that the ordered domains can be attributed to stacks of β-antimonene.

  16. Crystal structure, chemical bond and enhanced performance of β-Zn4Sb3 compounds with interstitial indium dopant

    International Nuclear Information System (INIS)

    Tang, Dingguo; Zhao, Wenyu; Yu, Jian; Wei, Ping; Zhou, Hongyu; Zhu, Wanting; Zhang, Qingjie

    2014-01-01

    Highlights: • The interstitial In dopant leads to the local structural perturbations in β-Zn 4 Sb 3 . • The simultaneous increases in α and σ are observed in the In-doped Zn 4 Sb 3 compounds. • The In dopant plays different doping behaviors by the dopant contents in the samples. • A maximum ZT of 1.41 at 700 K is achieved for the In-doped Zn 4 Sb 3 compounds. - Abstract: In-doped β-Zn 4 Sb 3 compounds (Zn 4−x In x Sb 3 , 0 ⩽ x ⩽ 0.24) were prepared by melt-quenching and spark plasma sintering technology in the work. The resultant samples were systematically investigated by X-ray diffraction, X-ray photoelectron spectroscopy, differential scanning calorimetry and thermoelectric property measurements. The In dopant was identified to preferentially occupy the interstitial site in β-Zn 4 Sb 3 and led to the local structural perturbations near the 12c Sb2 and 36f Zn1 sites. The Auger parameters of Zn and Sb indicated that the increase in the valence of Zn was attributed to the charge transfer from Zn to In atoms. The binding energies of In 3d 5/2 core level showed that the interstitial In dopant was n-type dopant (In 3+ ) in slightly In-doped Zn 4−x In x Sb 3 , but acted as acceptor and was p-type dopant (In + ) in heavily In-doped ones. The discovery provides a reasonable explanation for the puzzled relation between σ and x for Zn 4−x In x Sb 3 . Simultaneously increasing the electrical conductivity and Seebeck coefficient of Zn 4−x In x Sb 3 can be realized through the local structural perturbations. The significantly enhanced power factor and the intrinsic low thermal conductivity resulted in a remarkable increase in the dimensionless figure of merit (ZT). The highest ZT reached 1.41 at 700 K for Zn 3.82 In 0.18 Sb 3 and increased by 68% compared with that of the undoped β-Zn 4 Sb 3

  17. Synthesis and magnetic structure of the YbMn{sub 2}Sb{sub 2} compound

    Energy Technology Data Exchange (ETDEWEB)

    Morozkin, A.V. [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-2, Moscow 119992 (Russian Federation)]. E-mail: morozkin@general.chem.msu.ru; Isnard, O. [Institute Laue-Langevin, 6 Rue J. Horowitz, 38042 Grenoble (France); Henry, P. [Institute Laue-Langevin, 6 Rue J. Horowitz, 38042 Grenoble (France); Granovsky, S. [Physics Department, Moscow State University, GSP-2, 119899 Moscow (Russian Federation); Nirmala, R. [Indian Institute of Science, Bangalore (India); Manfrinetti, P. [Dipartimento di Chimica, Universita di Genova, Via Dodecaneso 31, 16146 Genova (Italy)

    2006-08-31

    A neutron diffraction investigation has been carried out on the trigonal La{sub 2}O{sub 3}-type (hP5, space group P3-bar ml, No. 164; also CaAl{sub 2}Si{sub 2}-type) YbMn{sub 2}Sb{sub 2} intermetallic. A two-step synthesis route has been tried in this work, and successfully utilised to prepare single phase samples of this compound. This study shows that YbMn{sub 2}Sb{sub 2} presents antiferromagnetic ordering below 120K. The magnetic structure of this intermetallic consists of antiferromagnetically coupled magnetic moments of the manganese atoms, in the Mn1 (1/3, 2/3, Z{sub Mn}) and Mn2 (2/3, 1/3, 1-Z{sub Mn}) sites; the direction of magnetic moments of manganese atoms forming a {phi} and a {theta} angle, respectively with the X- and the Z-axis. At 4K the magnetic moment of the Mn1 atom is {mu}{sub Mn}=3.6(1) {mu}{sub B}, with {phi}=0{sup o} and {theta}=62(4){sup o}, whilst the Mn2 atom has a magnetic moment {mu}{sub Mn}=3.6(1) {mu}{sub B}, with {phi}=0{sup o} and {theta}=242(4){sup o}. On the other hand, in this compound no local moment was detected on the Yb site.

  18. Thermal Stability of Zone Melting p-Type (Bi, Sb)2Te3 Ingots and Comparison with the Corresponding Powder Metallurgy Samples

    Science.gov (United States)

    Jiang, Chengpeng; Fan, Xi'an; Hu, Jie; Feng, Bo; Xiang, Qiusheng; Li, Guangqiang; Li, Yawei; He, Zhu

    2018-04-01

    During the past few decades, Bi2Te3-based alloys have been investigated extensively because of their promising application in the area of low temperature waste heat thermoelectric power generation. However, their thermal stability must be evaluated to explore the appropriate service temperature. In this work, the thermal stability of zone melting p-type (Bi, Sb)2Te3-based ingots was investigated under different annealing treatment conditions. The effect of service temperature on the thermoelectric properties and hardness of the samples was also discussed in detail. The results showed that the grain size, density, dimension size and mass remained nearly unchanged when the service temperature was below 523 K, which suggested that the geometry size of zone melting p-type (Bi, Sb)2Te3-based materials was stable below 523 K. The power factor and Vickers hardness of the ingots also changed little and maintained good thermal stability. Unfortunately, the thermal conductivity increased with increasing annealing temperature, which resulted in an obvious decrease of the zT value. In addition, the thermal stabilities of the zone melting p-type (Bi, Sb)2Te3-based materials and the corresponding powder metallurgy samples were also compared. All evidence implied that the thermal stabilities of the zone-melted (ZMed) p-type (Bi, Sb)2Te3 ingots in terms of crystal structure, geometry size, power factor (PF) and hardness were better than those of the corresponding powder metallurgy samples. However, their thermal stabilities in terms of zT values were similar under different annealing temperatures.

  19. Resistivity and magnetoresistance studies of Nb3Ir and V3Sb compounds

    International Nuclear Information System (INIS)

    Ghosh, M.; Barman, A.; Das, A.; Meikap, A.K.; De, S.K.; Chatterjee, S.

    1997-01-01

    We have performed measurements of electrical resistivity and magnetoresistivity of the compounds Nb 3 Ir and V 3 Sb in the temperature range 1.8 K ≤ T ≤ 300 K in absence as well as in presence of a magnetic field up to 7.7 T. At high temperature the resistivity shows a linear behaviour whereas the low temperature resistivity shows a T 2 behaviour. The data are fitted to several theories in order to explain the anomalous behaviour of the resistivity. The simple s-d scattering model is not adequate to offer a proper explanation for the positive magnetoresistance. The enhancement of the coefficient A of the T 2 term and the deviation from the quadratic field dependence of the resistivity may be due to the anisotropy in the compounds. (orig.)

  20. Valence band structure of InAs(1-x)Bi(x) and InSb(1-x)Bi(x) alloy semiconductors calculated using valence band anticrossing model.

    Science.gov (United States)

    Samajdar, D P; Dhar, S

    2014-01-01

    The valence band anticrossing model has been used to calculate the heavy/light hole and spin-orbit split-off energies in InAs(1-x)Bi(x) and InSb(1-x)Bi(x) alloy systems. It is found that both the heavy/light hole, and spin-orbit split E + levels move upwards in energy with an increase in Bi content in the alloy, whereas the split E - energy for the holes shows a reverse trend. The model is also used to calculate the reduction of band gap energy with an increase in Bi mole fraction. The calculated values of band gap variation agree well with the available experimental data.

  1. Influence of the exchange and correlation functional on the structure of amorphous InSb and In{sub 3}SbTe{sub 2} compounds

    Energy Technology Data Exchange (ETDEWEB)

    Gabardi, Silvia; Caravati, Sebastiano; Bernasconi, Marco, E-mail: marco.bernasconi@mater.unimib.it [Dipartimento di Scienza dei Materiali, Università di Milano-Bicocca, Via R. Cozzi 55, I-20125 Milano (Italy); Los, Jan H.; Kühne, Thomas D. [Institute of Physical Chemistry and Center for Computational Sciences, Johannes Gutenberg University Mainz, Staudinger Weg 7, D-55128 Mainz (Germany)

    2016-05-28

    We have investigated the structural, vibrational, and electronic properties of the amorphous phase of InSb and In{sub 3}SbTe{sub 2} compounds of interest for applications in phase change non-volatile memories. Models of the amorphous phase have been generated by quenching from the melt by molecular dynamics simulations based on density functional theory. In particular, we have studied the dependence of the structural properties on the choice of the exchange-correlation functional. It turns out that the use of the Becke-Lee-Yang-Parr functional provides models with a much larger fraction of In atoms in a tetrahedral bonding geometry with respect to previous results obtained with the most commonly used Perdew-Becke-Ernzerhof functional. This outcome is at odd with the properties of Ge{sub 2}Sb{sub 2}Te{sub 5} phase change compound for which the two exchange-correlation functionals yield very similar results on the structure of the amorphous phase.

  2. Determination of total Sb,Se Te, and Bi and evaluation of their inorganic species in garlic by hydride-generation-atomic-fluorescence spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Matos Reyes, M.N.; Cervera, M.L.; Guardia, M. de la [University of Valencia, Department of Analytical Chemistry, Burjassot, Valencia (Spain)

    2009-07-15

    A sensitive and simple analytical method has been developed for determination of Sb(III), Sb(V), Se(IV), Se(VI), Te(IV), Te(VI), and Bi(III) in garlic samples by using hydride-generation-atomic-fluorescence spectrometry (HG-AFS). The method is based on a single extraction of the inorganic species by sonication at room temperature with 1 mol L{sup -1} H{sub 2}SO{sub 4} and washing of the solid phase with 0.1% (w/v) EDTA, followed by measurement of the corresponding hydrides generated under two different experimental conditions directly and after a pre-reduction step. The limit of detection of the method was 0.7 ng g{sup -1} for Sb(III), 1.0 ng g{sup -1} for Sb(V), 1.3 ng g{sup -1} for Se(IV), 1.0 ng g{sup -1} for Se(VI), 1.1 ng g{sup -1} for Te(IV), 0.5 ng g{sup -1} for Te(VI), and 0.9 ng g{sup -1} for Bi(III), in all cases expressed in terms of sample dry weight. (orig.)

  3. Electroforming of Bi(1-x)Sb(x) nanowires for high-efficiency micro-thermoelectric cooling devices on a chip.

    Energy Technology Data Exchange (ETDEWEB)

    Overmyer, Donald L.; Webb, Edmund Blackburn, III (,; ); Siegal, Michael P.; Yelton, William Graham

    2006-11-01

    Active cooling of electronic systems for space-based and terrestrial National Security missions has demanded use of Stirling, reverse-Brayton, closed Joule-Thompson, pulse tube and more elaborate refrigeration cycles. Such cryocoolers are large systems that are expensive, demand large powers, often contain moving parts and are difficult to integrate with electronic systems. On-chip, solid-state, active cooling would greatly enhance the capabilities of future systems by reducing the size, cost and inefficiencies compared to existing solutions. We proposed to develop the technology for a thermoelectric cooler capable of reaching 77K by replacing bulk thermoelectric materials with arrays of Bi{sub 1-x}Sb{sub x} nanowires. Furthermore, the Sandia-developed technique we will use to produce the oriented nanowires occurs at room temperature and can be applied directly to a silicon substrate. Key obstacles include (1) optimizing the Bi{sub 1-x}Sb{sub x} alloy composition for thermoelectric properties; (2) increasing wire aspect ratios to 3000:1; and (3) increasing the array density to {ge} 10{sup 9} wires/cm{sup 2}. The primary objective of this LDRD was to fabricate and test the thermoelectric properties of arrays of Bi{sub 1-x}Sb{sub x} nanowires. With this proof-of-concept data under our belts we are positioned to engage National Security systems customers to invest in the integration of on-chip thermoelectric coolers for future missions.

  4. Surface quantum oscillations and weak antilocalization effect in topological insulator (Bi0.3Sb0.7)2Te3

    Science.gov (United States)

    Urkude, Rajashri; Rawat, Rajeev; Palikundwar, Umesh

    2018-04-01

    In 3D topological insulators, achieving a genuine bulk-insulating state is an important topic of research. The material system (Bi,Sb)2(Te,Se)3 has been proposed as a topological insulator with high resistivity and low carrier concentration. Topological insulators are predicted to present interesting surface transport phenomena but their experimental studies have been hindered by metallic bulk conduction that overwhelms the surface transport. Here we present a study of the bulk-insulating properties of (Bi0.3Sb0.7)2Te3. We show that a high resistivity exceeding 1 Ωm as a result of variable-range hopping behavior of state and Shubnikov-de Haas oscillations as coming from the topological surface state. We have been able to clarify both the bulk and surface transport channels, establishing a comprehensive understanding of the transport properties in this material. Our results demonstrate that (Bi0.3Sb0.7)2Te3 is a good material for studying the surface quantum transport in a topological insulator.

  5. Defect properties of Sb- and Bi-doped CuInSe{sub 2}: The effect of the deep lone-pair s states

    Energy Technology Data Exchange (ETDEWEB)

    Park, Ji-Sang; Yang, Ji-Hui; Ramanathan, Kannan; Wei, Su-Huai, E-mail: Suhuai.Wei@nrel.gov [National Renewable Energy Laboratory, Golden, Colorado 80401 (United States)

    2014-12-15

    Bi or Sb doping has been used to make better material properties of polycrystalline Cu{sub 2}(In,Ga)Se{sub 2} as solar cell absorbers, including the experimentally observed improved electrical properties. However, the mechanism is still not clear. Using first-principles method, we investigate the stability and electronic structure of Bi- and Sb-related defects in CuInSe{sub 2} and study their effects on the doping efficiency. Contrary to previous thinking that Bi or Sb substituted on the anion site, we find that under anion-rich conditions, the impurities can substitute on cation sites and are isovalent to In because of the formation of the impurity lone pair s states. When the impurities substitute for Cu, the defects act as shallow double donors and help remove the deep In{sub Cu} level, thus resulting in the improved carrier life time. On the other hand, under anion-poor conditions, impurities at the Se site create amphoteric deep levels that are detrimental to the device performance.

  6. Similarities in magnetic behavior of cerium and plutonium compounds

    International Nuclear Information System (INIS)

    Cooper, B.R.; Thayamballi, P.; Spirlet, J.C.; Mueller, W.; Vogt, O.

    1983-01-01

    The first sizable single crystals have been prepared of plutonium compounds. The field and temperature dependence of magnetization of single-crystal PuSb is highly evocative of that of CeSb or CeBi, and PuSb gives anisotropy and magnetic structural behavior as expected from hybridization-mediated interionic interactions for moderately delocalized f-electron systems

  7. Magneto-optical Kerr effect in Cr-doped (Bi,Sb)2Te3 Thin Films

    Science.gov (United States)

    Pan, Yu; Yao, Bing; Richardella, Anthony; Kandala, Abhinav; Fraleigh, Robert; Lee, Joon Sue; Samarth, Nitin; Yeats, Andrew; Awschalom, David D.

    2014-03-01

    When a three-dimensional (3D) topological insulator (TI) is interfaced with magnetism, the breaking of time reversal symmetry results in new phenomena such as the recently observed quantum anomalous Hall effect [C.-Z. Zhang et al., Science340, 167 (2013)]. Thus motivated, we use the polar-mode magneto-optical Kerr effect (MOKE) to probe the temperature- and field-dependent magnetization in molecular beam epitaxy grown Cr-doped thin films of the 3D TI (Bi,Sb)2Te3. Square MOKE hysteresis loops observed at low temperatures indicate robust ferromagnetism with a perpendicular magnetic anisotropy and Curie temperature that varies from ~ 5 K to ~ 150 K, depending on sample details. A key question is the nature of the ferromagnetism: is it a carrier-mediated mechanism, Van Vleck mechanism or due to extrinsic clusters? We address this issue by varying the magnetic ion concentration and carrier density via sample composition as well as by varying the chemical potential by back gating. Finally, we use spatially-resolved MOKE to image the magnetization in these samples. Supported by ONR and DARPA.

  8. Thermoelectric properties of p-type pseudo-binary (Ag0.365Sb0.558Te) x -(Bi0.5Sb1.5Te3)1-x (x=0-1.0) alloys prepared by spark plasma sintering

    International Nuclear Information System (INIS)

    Cui, J.L.; Xue, H.F.; Xiu, W.J.; Jiang, L.; Ying, P.Z.

    2006-01-01

    In this paper, pseudo-binary (Ag 0.365 Sb 0.558 Te) x -(Bi 0.5 Sb 1.5 Te 3 ) 1- x (x=0-1.0) alloys were prepared using spark plasma sintering technique, and the composition-dependent thermoelectric properties were evaluated. Electrical conductivities range from 7.9x10 4 to 15.6x10 4 Ω -1 m -1 at temperatures of 507 and 318 K, respectively, being about 3.0 and 8.5 times those of Bi 0.5 Sb 1.5 Te 3 alloy at the corresponding temperatures. The optimal dimensionless figure of merit (ZT) of the sample with molar fraction x=0.025 reaches 1.1 at 478 K, whereas that of the ternary Bi 0.5 Sb 1.5 Te 3 alloy is 0.58 near room temperature. The results also reveal that a direct introduction of Ag 0.365 Sb 0.558 Te in the Bi-Sb-Te system is much more effective to the property improvement than naturally precipitated Ag 0.365 Sb 0.558 Te in the Ag-doped Ag-Bi-Sb-Te system. - Graphical abstract: The temperature dependence of the dimensionless thermoelectric figure of merit ZT for different (Ag 0.365 Sb 0.558 Te) x -(Bi 0.5 Sb 1.5 Te 3 ) 1- x (x=0-1.0) alloys prepared by spark plasma sintering

  9. The crystal structure of ferdowsiite Ag8Sb4(As,Sb)4S16 and its relations to other ABX2 (A=Ag; B=As,Sb,Bi; X=S,Se) structures

    DEFF Research Database (Denmark)

    Makovicky, Emil; Topa, Dan

    2014-01-01

    arsenic. The crystal structure of ferdowsiite is a superstructure of a PbS like motif. The {100} planes of the PbS-like substructure are the (105̅), (301) and (010) planes in terms of the ferdowsiite lattice. The structure contains zig-zag chains of Sb1 connected via short Sb-S bonds and flanked by (Sb...

  10. Electronically- and crystal-structure-driven magnetic structures and physical properties of RScSb (R = rare earth) compounds. A neutron diffraction, magnetization and heat capacity study

    Energy Technology Data Exchange (ETDEWEB)

    Ritter, C [Institut Lauer-Langevin, Grenoble (France); Dhar, S K [TIFR, Mumbai (India); Kulkarni, R [TIFR, Mumbai (India); Provino, A [Inst. SPIN-CNR, Genova (Italy); Univ. of Genova (Italy); Ames Lab., Ames, IA (United States); Paudyal, Durga [Ames Lab., Ames, IA (United States); Manfrinetti, Pietro [Inst. SPIN-CNR, Genova (Italy); Univ. of Genova (Italy); Ames Lab., Ames, IA (United States); Gschneidner, Karl A [Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)

    2014-08-14

    The synthesis of the new equiatomic RScSb ( R = La-Nd, Sm, Gd-Tm, Lu, Y) compounds has been recently reported. These rare earth compounds crystallize in two different crystal structures, adopting the CeScSi-type ( I 4/ mmm) for the lighter R (La-Nd, Sm) and the CeFeSi-type (P4 /nmm) structure for the heavier R ( R = Gd-Tm, Lu, Y). Here we report the results of neutron diffraction, magnetization and heat capacity measurements on some of these compounds ( R = Ce, Pr, Nd, Gd and Tb). Band structure calculations have also been performed on CeScSb and GdScGe (CeScSi-type), and on GdScSb and TbScSb (CeFeSi-type) to compare and understand the exchange interactions in CeScSi and CeFeSi structure types. The neutron diffraction investigation shows that all five compounds order magnetically, with the highest transition temperature of 66 K in TbScSb and the lowest of about 9 K in CeScSb. The magnetic ground state is simple ferromagnetic (τ = [0 0 0]) in CeScSb, as well in NdScSb for 32 >T > 22 K. Below 22 K a second magnetic transition, with propagation vector τ = [¼ ¼ 0], appears in NdScSb. PrScSb has a magnetic structure within, determined by mostly ferromagnetic interactions and antiferromagnetic alignment of the Pr-sites connected through the I-centering ( τ = [1 0 0]). A cycloidal spiral structure with a temperature dependent propagation vector τ = [δ δ ½] is found in TbScSb. The results of magnetization and heat capacity lend support to the main conclusions derived from neutron diffraction. As inferred from a sharp peak in magnetization, GdScSb orders antiferromagnetically at 56 K. First principles calculations show lateral shift of spin split bands towards lower energy from the Fermi level as the CeScSi-type structure changes to the CeFeSi-type structure. This rigid shift may force the system to transform from exchange split ferromagnetic state to the antiferromagnetic state in RScSb compounds (as seen for example in GdScSb and TbScSb) and is proposed to

  11. Thermoelectrical properties of the compounds ScM{sup VIII}Sb and YM{sup VIII}Sb (M{sup VIII} = Ni, Pd, Pt)

    Energy Technology Data Exchange (ETDEWEB)

    Oestreich, J; Probst, U; Richardt, F; Bucher, E [University of Konstanz, PO Box X916, D-78457 Konstanz (Germany)

    2003-02-05

    The research into new materials with good thermoelectric properties has revealed new compounds consisting of metallic elements (Bando Y, Suemitsu T, Takagi K, Tokushima H, Echizen Y, Katoh K, Umeo K, Maeda Y and Takabatake T 2000 J. Alloys Compounds 313 1-6, Ghelani N, Loo S, Chung D, Sportouch S, Nardi S, Kanatzidis M, Hogan T and Nolas G 2000 Mater. Res. Soc. 626 Z8.6.1). The half-Heusler compound ZrNiSn, in particular, shows promising thermoelectric properties and has been studied by many scientists during recent years (Uher C, Hu S, Yang J, Meisner G P and Morelli D T 1997 Proc. ICT'97: 16th Int. Conf. on Thermoelectrics pp 485-8, Romaka L P, Stadnyk Yu V, Goryn A M, Gorelenko Yu K and Skolozdra R V 1997 Proc. ICT'97: 16th Int. Conf. on Thermoelectrics pp 516-19, Hohl H, Ramirez A P, Goldmann C, Ernst G, Woelfing B and Bucher E 1998 J. Phys.: Condens. Matter 11 1697-709, Oestreich J, Kaefer W, Richardt F, Probst U and Bucher E 1999 Proc. 5th European Workshop on Thermoelectrics pp 192-5). In an effort to find new thermoelectric materials, the half-Heusler compounds of the groups ScM{sup VIII}Sb and YM{sup VIII}Sb (M{sup VIII} = Ni, Pd, Pt) were synthesized by arc melting and the thermoelectric properties were examined by standard characterization methods. Doping experiments showed that it is possible to change the electrical properties of the compounds while retaining the half-Heusler structure. Within the two groups, YPtSb showed the best thermoelectrical properties. At a temperature of 400 K the electrical conductivity of YPtSb is 748{omega}{sup -1} cm{sup -1} and the Seebeck coefficient is 116.3{mu}V K{sup -1}. The thermal conductivity at 400 K extrapolated using the Wiedemann-Franz law is 2.87 W K{sup -1} m{sup -1}. This leads to a dimensionless figure of merit of 0.14.

  12. Ternary rare-earth bismuthides RE5SiBi 2 and RE5GeBi 2 ( RE=La-Nd, Gd-Er): Stabilization of the β-Yb 5Sb 3-type structure through tetrel substitution

    Science.gov (United States)

    Barry, Stephen D.; Tkachuk, Andriy V.; Bie, Haiying; Blanchard, Peter E. R.; Mar, Arthur

    2011-01-01

    Ternary bismuthides RE5TtBi 2 containing rare-earth ( RE=La-Nd, Gd-Er) and tetrel ( Tt=Si, Ge) atoms have been prepared by arc-melting of the elements followed by annealing at 800 °C. They adopt the β-Yb 5Sb 3-type structure (Pearson symbol o P32, space group Pnma, Z=4), as revealed through analysis by single-crystal X-ray diffraction on Ce 5Si 0.869(4)Bi 2.131(4) and powder X-ray diffraction on Ce 5GeBi 2. Cell parameters for the entire series lie in the ranges of a=12.8-11.8 Å, b=9.6-9.0 Å, and c=8.4-7.9 Å. Solid solubility in Ce 5Si xBi 3- x and Pr 5Si xBi 3- x (approximately 0.9≤ x≤1.2, depending on the RE member) is much more limited compared to the antimonides, consistent with a highly ordered structure in which the two possible anion sites are essentially segregated into a smaller one occupied by Tt atoms (CN7) and a larger one occupied by Bi atoms (CN9). Band structure calculations on La 5SiBi 2 confirm the importance of La-La bonding interactions near the Fermi level. X-ray photoelectron spectra support the presence of partially anionic Bi atoms, as indicated by a small negative binding energy shift relative to elemental Bi. The Ce and Pr members undergo magnetic transitions at low temperatures, possibly involving ferromagnetic interactions, that are strongly influenced by the nature of the Tt atom.

  13. Study of the structural phase transitions of (CH 3NH 3) 3Sb 2Cl 9 (MACA) and (CH 3NH 3) 3Bi 2Cl 9 (MACB) by infrared spectroscopy

    Science.gov (United States)

    Bator, G.; Jakubas, R.; Malarski, Z.

    1991-06-01

    Infrared spectra of polycrystalline (CH 3NH 3) 3Sb 2Cl 9 and (CH 3NH 3) 3Bi 2Cl 9 have been studied in the temperature range 90-300 K. A systematic temperature dependence study of the internal modes has been carried out. We discuss the effects of the dynamic state of methylammonium (MA) cations on their vibrational spectra. The results show that the dynamics of MA cations in both compounds is similar in higher (about 300 K) and lower temperature (in the vicinity of 100 K) regions. Substantial differences are revealed in the intermediate temperature interval. The results are in good agreement with earlier dielectric, calorimetric and 1H NMR studies.

  14. Averaged currents induced by alpha particles in an InSb compound semiconductor detector

    International Nuclear Information System (INIS)

    Kanno, Ikuo; Hishiki, Shigeomi; Kogetsu, Yoshitaka; Nakamura, Tatsuya; Katagiri, Masaki

    2008-01-01

    Very fast pulses due to alpha particle incidence were observed by an undoped-type InSb Schottky detector. This InSb detector was operated without applying bias voltage and its depletion layer thickness was less than the range of alpha particles. The averaged current induced by alpha particles was analyzed as a function of operating temperature and was shown to be proportional to the Hall mobility of InSb. (author)

  15. Tunable Weyl and Dirac states in the nonsymmorphic compound CeSbTe.

    Science.gov (United States)

    Schoop, Leslie M; Topp, Andreas; Lippmann, Judith; Orlandi, Fabio; Müchler, Lukas; Vergniory, Maia G; Sun, Yan; Rost, Andreas W; Duppel, Viola; Krivenkov, Maxim; Sheoran, Shweta; Manuel, Pascal; Varykhalov, Andrei; Yan, Binghai; Kremer, Reinhard K; Ast, Christian R; Lotsch, Bettina V

    2018-02-01

    Recent interest in topological semimetals has led to the proposal of many new topological phases that can be realized in real materials. Next to Dirac and Weyl systems, these include more exotic phases based on manifold band degeneracies in the bulk electronic structure. The exotic states in topological semimetals are usually protected by some sort of crystal symmetry, and the introduction of magnetic order can influence these states by breaking time-reversal symmetry. We show that we can realize a rich variety of different topological semimetal states in a single material, CeSbTe. This compound can exhibit different types of magnetic order that can be accessed easily by applying a small field. Therefore, it allows for tuning the electronic structure and can drive it through a manifold of topologically distinct phases, such as the first nonsymmorphic magnetic topological phase with an eightfold band crossing at a high-symmetry point. Our experimental results are backed by a full magnetic group theory analysis and ab initio calculations. This discovery introduces a realistic and promising platform for studying the interplay of magnetism and topology. We also show that we can generally expand the numbers of space groups that allow for high-order band degeneracies by introducing antiferromagnetic order.

  16. Diffusion coefficients for Tl, Pb, Cd, In, Zn, Bi, As, Mo and Sb in hydrous rhyolite at 100-200 MPa

    Science.gov (United States)

    Berlo, Kim; Brooker, Richard; Wilke, Max

    2014-05-01

    A series of experiments have been conducted to determine the diffusivities of Tl, Pb, Cd, In, Zn, Bi, As, Mo and Sb in hydrous rhyolitic melt. Diffusion experiments used two adjoining glass cylinder of the same hydrous composition, one doped with the elements of interest at ~ 100 ppm. These couples were rapidly heated to 850, 1000 and 1150°C at 100-200 MPa for a few hours. After quenching the sectioned charges were analyzed by both synchrotron XRF (The Diamond Light Source) and LA-ICP-MS (University of Oxford). The data shows excellent correlation between these two techniques. The diffusion profiles were fitted to a 1-D diffusion couple equation to determine the diffusivities and fitting to the different temperature runs defined the Arrhenius parameters. We find that for 850°C the diffusion coefficients follow the trend Tl>Pb>Cd>Zn>In>Bi>As>Sb>Mo. Additional experiments were performed with either S or Cl added (to both sides of the diffusion couple). In general S increases the diffusion rate of all metals except Mo and Sb, which diffuse slower in the presence of S. Chlorine also speeds up the diffusion of metals with the exception of In, Mo and Sb. The systematic change in diffusivities of these metals and their different behaviour in the presence of the ligands that are also observed to be significant in volcanic gases, are important in determining the distribution of these metals during degassing (e.g. MacKenzie and Canil, 2008). This is particularly important in a dynamic environment such as a volcanic conduit. There are also implications for economic exploration and well as hazard mitigation.

  17. Thermal expansion and strength characteristics of interatomic bonds in melts of A3 B5 (Al Sb, In Sb, Ga Sb, In As, Ga As) compounds

    International Nuclear Information System (INIS)

    Glazov, V.M.; Shchelikov, O.D.

    1998-01-01

    Temperature dependence of specific volume of the A 3 B 5 compounds melts is studied thermometrically and through the method of the penetrating γ radiation. Evaluation of melts thermal expansion coefficients under different temperatures is carried out. Estimates of the Debye characteristic temperatures and mean square dynamic shifts of atoms in the close order structure of the A 3 B 5 compounds melts are conducted on the basis of the obtained results

  18. Stability enhancement and electronic tunability of two-dimensional SbIV compounds via surface functionalization

    Science.gov (United States)

    Zhou, Wenhan; Guo, Shiying; Liu, Xuhai; Cai, Bo; Song, Xiufeng; Zhu, Zhen; Zhang, Shengli

    2018-01-01

    We propose a family of hydrogenated- and halogenated-SbIV (SbIVX-2) materials that simultaneously have two-dimensional (2D) structures, high stability and appealing electronic properties. Based on first-principles total-energy and vibrational-spectra calculations, SbIVX-2 monolayers are found both thermally and dynamically stable. Varying IV and X elements can rationally tune the electronic properties of SbIVX-2 monolayers, effectively modulating the band gap from 0 to 3.42 eV. Regarding such superior stability and broad band-gap range, SbIVX-2 monolayers are expected to be synthesized in experiments and taken as promising candidates for low-dimensional electronic and optoelectronic devices, such as blue-to-ultraviolet light-emitting diodes (LED) and photodetectors.

  19. First principles study of (Cd, Hg, In, Tl, Sn, Pb, As, Sb, Bi, Se) modified Pt(111), Pt(100) and Pt(211) electrodes as CO oxidation catalysts

    DEFF Research Database (Denmark)

    Tripkovic, Vladimir

    2015-01-01

    . The coverage dependence as a function of potential for ten different adatom species (Cd, Hg, In, Tl, Sn, Pb, As, Sb, Bi, Se) on bare and CO saturated Pt(111), Pt(100) and Pt(211) surfaces has been established by means of Density Functional Theory calculations. Most of the adatoms are very stable under standard......, given by the OH formation potentials from water, is dependent on the oxophilicity of the adatoms, and is found to scale almost inversely with the adatom stability. In electrolyte solutions saturated with CO, the stability reduces to roughly half of that on bare Pt surfaces. Irrespective of the CO...

  20. Effects of Lu and Tm Doping on Thermoelectric Properties of Bi2Te3 Compound

    Science.gov (United States)

    Yaprintsev, Maxim; Lyubushkin, Roman; Soklakova, Oxana; Ivanov, Oleg

    2018-02-01

    The Bi2Te3, Bi1.9Lu0.1Te3 and Bi1.9Tm0.1Te3 thermoelectrics of n-type conductivity have been prepared by the microwave-solvothermal method and spark plasma sintering. These compounds behave as degenerate semiconductors from room temperature up to temperature T d ≈ 470 K. Within this temperature range the temperature behavior of the specific electrical resistivity is due to the temperature changes of electron mobility determined by acoustic and optical phonon scattering. Above T d, an onset of intrinsic conductivity takes place when electrons and holes are present. At the Lu and Tm doping, the Seebeck coefficient increases, while the specific electrical resistivity and total thermal conductivity decrease within the temperature 290-630 K range. The increase of the electrical resistivity is related to the increase of electron concentration since the Tm and Lu atoms are donor centres in the Bi2Te3 lattice. The increase of the density-of-state effective mass for conduction band can be responsible for the increase of the Seebeck coefficient. The decrease of the total thermal conductivity in doped Bi2Te3 is attributed to point defects like the antisite defects and Lu or Tm atoms substituting for the Bi sites. In addition, reducing the electron thermal conductivity due to forming a narrow impurity (Lu or Tm) band having high and sharp density-of-states near the Fermi level can effectively decrease the total thermal conductivity. The thermoelectric figure-of-merit is enhanced from ˜ 0.4 for undoped Bi2Te3 up to ˜ 0.7 for Bi1.9Tm0.1Te3 and ˜ 0.9 for Bi1.9Lu0.1Te3.

  1. Synthesis and characterization of Bi{sub 1.56}Sb{sub 1.48}Co{sub 0.96}O{sub 7} pyrochlore sun-light-responsive photocatalyst

    Energy Technology Data Exchange (ETDEWEB)

    Naceur, Benhadria, E-mail: nacer1974@yahoo.fr [Laboratory of Inorganic Materials Chemistry and Application, Department of Materials Engineering, University of Science and Technology of Oran (USTO M.B), BP 1505, El M’naouar, 31000 Oran (Algeria); Abdelkader, Elaziouti, E-mail: elaziouti_a@yahoo.com [Laboratory of Inorganic Materials Chemistry and Application, Department of Materials Engineering, University of Science and Technology of Oran (USTO M.B), BP 1505, El M’naouar, 31000 Oran (Algeria); Dr Moulay Tahar University, Saida (Algeria); Nadjia, Laouedj, E-mail: nlaouedj@yahoo.fr [Laboratory of Inorganic Materials Chemistry and Application, Department of Materials Engineering, University of Science and Technology of Oran (USTO M.B), BP 1505, El M’naouar, 31000 Oran (Algeria); Dr Moulay Tahar University, Saida (Algeria); Sellami, Mayouf, E-mail: Mourad7dz@yahoo.fr [Laboratory of Inorganic Materials Chemistry and Application, Department of Materials Engineering, University of Science and Technology of Oran (USTO M.B), BP 1505, El M’naouar, 31000 Oran (Algeria); Noureddine, Bettahar, E-mail: nbettahar2001@yahoo.fr [Laboratory of Inorganic Materials Chemistry and Application, Department of Materials Engineering, University of Science and Technology of Oran (USTO M.B), BP 1505, El M’naouar, 31000 Oran (Algeria)

    2016-02-15

    Graphical abstract: Heterogeneous photo Fenton process with dye sensitized mechanism of RhB by Bi{sub 1.56}Sb{sub 1.48}Co{sub 0.96}O{sub 7} compound. - Highlights: • Bi{sub 1.56}Sb{sub 1.48}Co{sub 0.96}O{sub 7} (BSCO) catalyst was synthesized by improved solid state reaction method. • BSCO/H{sub 2}O{sub 2}/UVA and BSCO/H{sub 2}O{sub 2}/SL catalyst systems exhibit excellent photocatalytic activities for rhodamine B. • The photocatalytic degradation was preceded via heterogeneous photo Fenton mechanism process. • ·OH radicals are the main reactive species for the degradation of RhB. - Abstract: Novel nanostructure pyrochlore Bi{sub 1.56}Sb{sub 1.48}Co{sub 0.96}O{sub 7} was successfully synthesized via solid state reaction method in air. The as-synthesized photocatalyst was characterized by X-ray diffraction, Scanning electron microscopy and UV–vis diffuse reflectance spectroscopy techniques. The results showed that the BSCO was crystallized with the pyrochlore-type structure, cubic crystal system and space group Fd3m. The average particle size and band gap for BSCO were D = 76.29 nm and E{sub g} = 1.50 eV respectively. Under the optimum conditions for discoloration of the dye: initial concentration of 20 mg L{sup −1} RhB, pH 7, 25 °C, 0.5 mL H{sub 2}O{sub 2} and BSCO/dye mass ration of 1 g L{sup −1}, 97.77 and 90.16% of RhB were removed with BSCO/H{sub 2}O{sub 2} photocatalytic system within 60 min of irradiation time under UVA- and SL irradiations respectively. Pseudo-second-order kinetic model gave the best fit, with highest correlation coefficients (R{sup 2} ≥ 0.99). On the base of these results, the mechanism of the enhancement of the discoloration efficiency was discussed. .

  2. Intrinsic Rashba-like splitting in asymmetric Bi{sub 2}Te{sub 3}/Sb{sub 2}Te{sub 3} heterogeneous topological insulator films

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xiaofei; Guo, Wanlin, E-mail: wlguo@nuaa.edu.cn [State Key Laboratory of Mechanics and Control for Mechanical Structures and Key Laboratory for Intelligent Nano Materials and Devices (MOE), Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China)

    2014-08-25

    We show by density functional theory calculations that asymmetric hetero-stacking of Bi{sub 2}Te{sub 3}/Sb{sub 2}Te{sub 3} films can modulate the topological surface states. Due to the structure inversion asymmetry, an intrinsic Rashba-like splitting of the conical surface bands is aroused. While such splitting in homogeneous Bi{sub 2}Te{sub 3}-class topological insulators can be realized in films with more than three quintuple layers under external electric fields, the hetero-stacking breaks the limit of thickness for preserving the topological nature into the thinnest two quintuple layers. These results indicate that the hetero-stacking can serve as an efficient strategy for spin-resolved band engineering of topological insulators.

  3. Superconductivity and magnetic order in the noncentrosymmetric half-Heusler compound ErPdBi

    NARCIS (Netherlands)

    Pan, Y.; Nikitin, A.M.; Bay, T.V.; Huang, Y.K.; Paulsen, C.; Yan, B.H.; de Visser, A.

    2013-01-01

    We report superconductivity at Tc = 1.22 K and magnetic order at TN = 1.06\\ K in the semimetallic noncentrosymmetric half-Heusler compound ErPdBi. The upper critical field, Bc2, has an unusual quasi-linear temperature variation and reaches a value of 1.6 T for T - 0 . Magnetic order is found below

  4. Molecular beam epitaxial growth of Bi2Te3 and Sb2Te3 topological insulators on GaAs (111 substrates: a potential route to fabricate topological insulator p-n junction

    Directory of Open Access Journals (Sweden)

    Zhaoquan Zeng

    2013-07-01

    Full Text Available High quality Bi2Te3 and Sb2Te3 topological insulators films were epitaxially grown on GaAs (111 substrate using solid source molecular beam epitaxy. Their growth and behavior on both vicinal and non-vicinal GaAs (111 substrates were investigated by reflection high-energy electron diffraction, atomic force microscopy, X-ray diffraction, and high resolution transmission electron microscopy. It is found that non-vicinal GaAs (111 substrate is better than a vicinal substrate to provide high quality Bi2Te3 and Sb2Te3 films. Hall and magnetoresistance measurements indicate that p type Sb2Te3 and n type Bi2Te3 topological insulator films can be directly grown on a GaAs (111 substrate, which may pave a way to fabricate topological insulator p-n junction on the same substrate, compatible with the fabrication process of present semiconductor optoelectronic devices.

  5. Structural characterization of half-metallic Heusler compound NiMnSb

    Energy Technology Data Exchange (ETDEWEB)

    Nowicki, L. E-mail: lech.nowicki@fuw.edu.pl; Abdul-Kader, A.M.; Bach, P.; Schmidt, G.; Molenkamp, L.W.; Turos, A.; Karczewski, G

    2004-06-01

    High resolution X-ray diffraction (HRXRD) and Rutherford backscattering/channeling (RBS/c) techniques were used to characterize layers of NiMnSb grown by molecular beam epitaxy (MBE) on InP with a In{sub x}Ga{sub 1-x}As buffer. Angular scans in the channeling mode reveal that the crystal structure of NiMnSb is tetragonally deformed with c/a=1.010{+-}0.002, in agreement with HRXRD data. Although HRXRD demonstrates the good quality of the pseudomorphic NiMnSb layers the channeling studies show that about 20% of atoms in the layers do not occupy lattice sites in the [0 0 1] rows of NiMnSb. The possible mechanisms responsible for the observed disorder are discussed.

  6. Magnetic properties of bi-, tri- and multicrystals of 3D topological insulator Bi{sub 1−x}–Sb{sub x}(0.06⩽x⩽0.2)

    Energy Technology Data Exchange (ETDEWEB)

    Muntyanu, F.M. [Institute of Electronic Engineering and Industrial Technologies, Academy of Sciences of Moldova, Chisinau 2028 (Moldova, Republic of); International Laboratory of High Magnetic Fields and Low Temperatures, Wroclaw 53421 (Poland); Gilewski, A., E-mail: andrzej.gilewski@ml.pan.wroc.pl [International Laboratory of High Magnetic Fields and Low Temperatures, Wroclaw 53421 (Poland); Nenkov, K. [International Laboratory of High Magnetic Fields and Low Temperatures, Wroclaw 53421 (Poland); Leibniz-Institut fur Festkorper und Werkstofforschung, Dresden 01171 (Germany); Rogacki, K. [International Laboratory of High Magnetic Fields and Low Temperatures, Wroclaw 53421 (Poland); Institute of Low Temperatures and Structural Research, Polish Academy of Sciences, Wroclaw 50950 (Poland); Zaleski, A.J. [Institute of Low Temperatures and Structural Research, Polish Academy of Sciences, Wroclaw 50950 (Poland); Fuks, G. [International Laboratory of High Magnetic Fields and Low Temperatures, Wroclaw 53421 (Poland); Leibniz-Institut fur Festkorper und Werkstofforschung, Dresden 01171 (Germany); Chistol, V. [Technical University of Moldova, Chisinau 2004 (Moldova, Republic of)

    2014-03-01

    The magnetic properties of bi-, tri- and multicrystals of 3D topological insulator Bi{sub 1−x}Sb{sub x}(0.06

  7. Spin 1/2 Delafossite Honeycomb Compound Cu5SbO6

    DEFF Research Database (Denmark)

    Climent-Pascual, E.; Norby, Poul; Andersen, Niels Hessel

    2012-01-01

    Cu5SbO6 is found to have a monoclinic, Delafossite-derived structure consisting of alternating layers of O–Cu(I)–O sticks and magnetic layers of Jahn–Teller distorted Cu(II)O6 octahedra in an edge sharing honeycomb arrangement with Sb(V)O6 octahedra. This yields the structural formula Cu(I)3Cu(II...

  8. Intrinsic quantum spin Hall and anomalous Hall effects in h-Sb/Bi epitaxial growth on a ferromagnetic MnO2 thin film.

    Science.gov (United States)

    Zhou, Jian; Sun, Qiang; Wang, Qian; Kawazoe, Yoshiyuki; Jena, Puru

    2016-06-07

    Exploring a two-dimensional intrinsic quantum spin Hall state with a large band gap as well as an anomalous Hall state in realizable materials is one of the most fundamental and important goals for future applications in spintronics, valleytronics, and quantum computing. Here, by combining first-principles calculations with a tight-binding model, we predict that Sb or Bi can epitaxially grow on a stable and ferromagnetic MnO2 thin film substrate, forming a flat honeycomb sheet. The flatness of Sb or Bi provides an opportunity for the existence of Dirac points in the Brillouin zone, with its position effectively tuned by surface hydrogenation. The Dirac points in spin up and spin down channels split due to the proximity effects induced by MnO2. In the presence of both intrinsic and Rashba spin-orbit coupling, we find two band gaps exhibiting a large band gap quantum spin Hall state and a nearly quantized anomalous Hall state which can be tuned by adjusting the Fermi level. Our findings provide an efficient way to realize both quantized intrinsic spin Hall conductivity and anomalous Hall conductivity in a single material.

  9. Multielemental Determination of As, Bi, Ge, Sb, and Sn in Agricultural Samples Using Hydride Generation Coupled to Microwave-Induced Plasma Optical Emission Spectrometry.

    Science.gov (United States)

    Machado, Raquel C; Amaral, Clarice D B; Nóbrega, Joaquim A; Araujo Nogueira, Ana Rita

    2017-06-14

    A microwave-induced plasma optical emission spectrometer with N 2 -based plasma was combined with a multimode sample introduction system (MSIS) for hydride generation (HG) and multielemental determination of As, Bi, Ge, Sb, and Sn in samples of forage, bovine liver, powdered milk, agricultural gypsum, rice, and mineral fertilizer, using a single condition of prereduction and reduction. The accuracy of the developed analytical method was evaluated using certified reference materials of water and mineral fertilizer, and recoveries ranged from 95 to 106%. Addition and recovery experiments were carried out, and the recoveries varied from 85 to 117% for all samples evaluated. The limits of detection for As, Bi, Ge, Sb, and Sn were 0.46, 0.09, 0.19, 0.46, and 5.2 μg/L, respectively, for liquid samples, and 0.18, 0.04, 0.08, 0.19, and 2.1 mg/kg, respectively, for solid samples. The method proposed offers a simple, fast, multielemental, and robust alternative for successful determination of all five analytes in agricultural samples with low operational cost without compromising analytical performance.

  10. Resonance spin memory in low-energy gamma-ray spectra from Sb, Tb, Ho and Ta odd-odd compound nuclei

    International Nuclear Information System (INIS)

    Olejniczak, U.; Gundorin, N.A.; Pikelner, L.B.; Serov, D.G.; Przytula, M.

    2002-01-01

    The low-energy gamma-ray spectra from neutron resonance capture with natural samples of Sb, Tb, Ho and Ta were measured using a HPGe detector at the IBR-30 pulsed reactor (JINR, Dubna). The resonance spin memory effect in the spectra from the odd-odd compound nuclei of 122 Sb, 160 Tb and 166 Ho was found to be quite distinct. For the 182 Ta compound nucleus it proved to be rather weak

  11. Magnetic properties of nearly stoichiometric CeAuBi2 heavy fermion compound

    International Nuclear Information System (INIS)

    Adriano, C.; Jesus, C. B. R.; Pagliuso, P. G.; Rosa, P. F. S.; Grant, T.; Fisk, Z.; Garcia, D. J.

    2015-01-01

    Motivated by the interesting magnetic anisotropy found in the heavy fermion family CeTX 2 (T = transition metal and X = pnictogen), here, we study the novel parent compound CeAu 1−x Bi 2−y by combining magnetization, pressure dependent electrical resistivity, and heat-capacity measurements. The magnetic properties of our nearly stoichiometric single crystal sample of CeAu 1−x Bi 2−y (x = 0.92 and y = 1.6) revealed an antiferromagnetic ordering at T N  = 12 K with an easy axis along the c-direction. The field dependent magnetization data at low temperatures reveal the existence of a spin-flop transition when the field is applied along the c-axis (H c  ∼ 7.5 T and T = 5 K). The heat capacity and pressure dependent resistivity data suggest that CeAu 0.92 Bi 1.6 exhibits a weak heavy fermion behavior with strongly localized Ce 3+ 4f electrons. Furthermore, the systematic analysis using a mean field model including anisotropic nearest-neighbors interactions and the tetragonal crystalline electric field (CEF) Hamiltonian allows us to extract a CEF scheme and two different values for the anisotropic J RKKY exchange parameters between the Ce 3+ ions in this compound. Thus, we discuss a scenario, considering both the anisotropic magnetic interactions and the tetragonal CEF effects, in the CeAu 1−x Bi 2−y compounds, and we compare our results with the isostructural compound CeCuBi 2

  12. Upconversion Properties of the Er-Doped Y2O3, Bi2O3 and Sb2O3 Nanoparticles Fabricated by Pulsed Laser Ablation in Liquid Media

    International Nuclear Information System (INIS)

    Zamiri Reza; Bahari-Poor Hamid-Reza; Zakaria Azmi; Jorfi Raheleh; Zamiri Golnoush; Rebelo Avito; Omar Akrajas Ali

    2013-01-01

    Er-doped Y 2 O 3 , Bi 2 O 3 and Sb 2 O 3 nanoparticles are synthesized using pulsed laser ablation in a liquid. Ceramic targets of Y 2 O 3 :Er 3+ , Bi 2 O 3 :Er 3+ and Sb 2 O 3 :Er 3+ for ablation process are prepared by standard solid-state reaction technique and ablation is carried out in 5-ml distilled water using nanosecond Q-switched Nd:YAG laser. The morphology and size of the fabricated nanoparticles are evaluated by transmission electron microscopy and the luminescence emission properties of the prepared samples are investigated under different excitation wavelengths

  13. Revealing Extremely Low Energy Amplitude Modes in the Charge-Density-Wave Compound LaAgSb_{2}.

    Science.gov (United States)

    Chen, R Y; Zhang, S J; Zhang, M Y; Dong, T; Wang, N L

    2017-03-10

    Using infrared spectroscopy and ultrafast pump probe measurement, we have studied the two charge-density-wave (CDW) instabilities in the layered compound LaAgSb_{2}. The development of CDW energy gaps was clearly observed by optical spectroscopy, which removed most of the free carrier spectral weight. More interestingly, our time-resolved measurements revealed two coherent oscillations that softened by approaching the two phase transition temperatures, respectively. We addressed that these two oscillations come from the amplitude modes of CDW collective excitations, the surprisingly low energies (0.12 THz and 0.34 THz for the higher and lower temperature ones, respectively) of which are associated with the extremely small nesting wave vectors. Additionally, the amplitude and relaxation time of photoinduced reflectivity of LaAgSb_{2} single crystals stayed unchanged across the CDW phase transitions, which is quite rare and deserves further investigation.

  14. Superconductivity in the Bi-Sr-Ca-Cu-O compounds some characteristics

    International Nuclear Information System (INIS)

    Escudero, R.

    1989-01-01

    The authors have prepared 90% single phase bulk samples of the 110K superconducting phase of the Bi-Sr- Ca-Cu-O compounds with different Pb amounts. This paper presents critical superconducting temperatures (zero resistance) of up to 109K were measured in the bulk samples. X-ray powder diffraction patterns of the almost isolated 110K phase. Computer simulated diffractograms were obtained, which are in general agreement with the measured ones. A discussion of the role of Pb in the stability of the 110K phase in this compounds is presented. Tunnelling measurements were made using Bi-based material. The authors studied break junctions and point contact junctions. The energy gap was determined to be about 25.5 meV and the ratio 2Δ/KBTc = 7.5. The data also show structure at energies of 67 and 120 meV

  15. Effect of surface treatment of thermoelectric materials on the properties of thermoelements made from solid solutions of Bi/sub 2/Te/sub 3/-Bi/sub 2/Se/sub 3/ and Bi/sub 2/Te/sub 3/-Sb/sub 2/Te/sub 3/ systems

    Energy Technology Data Exchange (ETDEWEB)

    Alieva, T.D.; Abdinov, D.Sh.; Salaev, Eh.Yu.

    1981-10-01

    Effect of surface treatment technology of samples of solid solutions of Ei/sub 2/Te/sub 3/-Bi/sub 2/Se/sub 3/ and Bi/sub 2/Te/sub 3/-Sb/sub 2/Te/sub 3/ systems on their thermoelectric efficiency is studied. Branches of thermoelements have been produced with the help of electroerosion or mechanical cutting of monocrystal ingots of semiconducting solid Bi/sub 2/Te/sub 3/-base solutions. It is shown that in case of the treatment of side surfaces of branches of thermoelements produced of monocrystals of Bi/sub 2/Te/sub 3/ base solid solutions their thermoelectrical efficiency grows considerably. Maximum growth of efficiency (approximately 20%) is observed during mechanical grinding of branches surfaces with diamond paste with the following chemical or electrochemical etching.

  16. Crystal, magnetic, calorimetric and electronic structure investigation of GdScGe1-x Sb x compounds

    Science.gov (United States)

    Guillou, F.; Pathak, A. K.; Hackett, T. A.; Paudyal, D.; Mudryk, Y.; Pecharsky, V. K.

    2017-12-01

    Experimental investigations of crystal structure, magnetism and heat capacity of compounds in the pseudoternary GdScGe-GdScSb system combined with density functional theory projections have been employed to clarify the interplay between the crystal structure and magnetism in this series of RTX materials (R  =  rare-earth, T   =  transition metal and X  =  p-block element). We demonstrate that the CeScSi-type structure adopted by GdScGe and CeFeSi-type structure adopted by GdScSb coexist over a limited range of compositions 0.65 ≤slant x ≤slant 0.9 . Antimony for Ge substitutions in GdScGe result in an anisotropic expansion of the unit cell of the parent that is most pronounced along the c axis. We believe that such expansion acts as the driving force for the instability of the double layer CeScSi-type structure of the parent germanide. Extensive, yet limited Sb substitutions 0 ≤slant x disappearance of the induced magnetic moments on Sc. For the parent antimonide, heat capacity measurements indicate an additional transition below the main antiferromagnetic transition.

  17. Tunable catalytic properties of bi-functional mixed oxides in ethanol conversion to high value compounds

    Energy Technology Data Exchange (ETDEWEB)

    Ramasamy, Karthikeyan K.; Gray, Michel J.; Job, Heather M.; Smith, Colin D.; Wang, Yong

    2016-04-10

    tA highly versatile ethanol conversion process to selectively generate high value compounds is pre-sented here. By changing the reaction temperature, ethanol can be selectively converted to >C2alcohols/oxygenates or phenolic compounds over hydrotalcite derived bi-functional MgO–Al2O3cata-lyst via complex cascade mechanism. Reaction temperature plays a role in whether aldol condensationor the acetone formation is the path taken in changing the product composition. This article containsthe catalytic activity comparison between the mono-functional and physical mixture counterpart to thehydrotalcite derived mixed oxides and the detailed discussion on the reaction mechanisms.

  18. The Au-Ag-Sb-Bi-Te mineralization from the deposit Bytíz (mine 19), the Příbram uranium-polymetallic ore discrit, Czech Republic

    Czech Academy of Sciences Publication Activity Database

    Litochleb, J.; Sejkora, J.; Šrein, Vladimír

    2006-01-01

    Roč. 28, Spec. pap. (2006), s. 133-135 ISSN 1896-2203. [Central European Mineralogical Conference /1./. Vyšná Boca, 11.09.2006-15.09.2006] Institutional research plan: CEZ:AV0Z30460519 Keywords : Au-Ag-Sb-Bi-Te * mineralization * uranium-polymetallic ore Subject RIV: DB - Geology ; Mineralogy

  19. Crystal structure, chemical bond and enhanced performance of β-Zn{sub 4}Sb{sub 3} compounds with interstitial indium dopant

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Dingguo [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Key Laboratory of Catalysis and Materials Science of the State Ethnic Affair Commission and Ministry of Education, South-Central University for Nationalities, Wuhan 430074 (China); Zhao, Wenyu, E-mail: wyzhao@whut.edu.cn [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Yu, Jian; Wei, Ping; Zhou, Hongyu; Zhu, Wanting [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Zhang, Qingjie, E-mail: zhangqj@whut.edu.cn [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China)

    2014-07-15

    Highlights: • The interstitial In dopant leads to the local structural perturbations in β-Zn{sub 4}Sb{sub 3}. • The simultaneous increases in α and σ are observed in the In-doped Zn{sub 4}Sb{sub 3} compounds. • The In dopant plays different doping behaviors by the dopant contents in the samples. • A maximum ZT of 1.41 at 700 K is achieved for the In-doped Zn{sub 4}Sb{sub 3} compounds. - Abstract: In-doped β-Zn{sub 4}Sb{sub 3} compounds (Zn{sub 4−x}In{sub x}Sb{sub 3}, 0 ⩽ x ⩽ 0.24) were prepared by melt-quenching and spark plasma sintering technology in the work. The resultant samples were systematically investigated by X-ray diffraction, X-ray photoelectron spectroscopy, differential scanning calorimetry and thermoelectric property measurements. The In dopant was identified to preferentially occupy the interstitial site in β-Zn{sub 4}Sb{sub 3} and led to the local structural perturbations near the 12c Sb2 and 36f Zn1 sites. The Auger parameters of Zn and Sb indicated that the increase in the valence of Zn was attributed to the charge transfer from Zn to In atoms. The binding energies of In 3d{sub 5/2} core level showed that the interstitial In dopant was n-type dopant (In{sup 3+}) in slightly In-doped Zn{sub 4−x}In{sub x}Sb{sub 3}, but acted as acceptor and was p-type dopant (In{sup +}) in heavily In-doped ones. The discovery provides a reasonable explanation for the puzzled relation between σ and x for Zn{sub 4−x}In{sub x}Sb{sub 3}. Simultaneously increasing the electrical conductivity and Seebeck coefficient of Zn{sub 4−x}In{sub x}Sb{sub 3} can be realized through the local structural perturbations. The significantly enhanced power factor and the intrinsic low thermal conductivity resulted in a remarkable increase in the dimensionless figure of merit (ZT). The highest ZT reached 1.41 at 700 K for Zn{sub 3.82}In{sub 0.18}Sb{sub 3} and increased by 68% compared with that of the undoped β-Zn{sub 4}Sb{sub 3}.

  20. Giant magnetoresistance associated with a first-order transition between two ferrimagnetic states in Mn2-xZnxSb (x < 0.3) compounds

    International Nuclear Information System (INIS)

    Zhang, Q; Zhang, Y Q; Li, Y B; Du, J; Feng, W J; Li, D; Zhang, Z D

    2008-01-01

    A giant magnetoresistance (GMR) is observed in the Mn 2-x Zn x Sb (x 1.9 Zn 0.1 Sb compound. Different from other Mn 2 Sb-based compounds, the GMR in Mn 2-x Zn x Sb is closely correlated with a field-induced transition from a weak ferrimagnetic (WFI) state to a ferrimagnetic (FI) state. It is understood that the influences of both super-zone gap and spin-dependent scattering are responsible for GMR in the present system. Magnetic hysteresis and phase coexistence of the WFI and the FI phases suggest that this WFI-FI transition is of first order. The different mechanisms responsible for butterfly loops of magnetization/resistivity curves in different magnetic states are discussed

  1. Spectral and spatial resolving of photoelectric property of femtosecond laser drilled holes of GaSb(1-x)Bi(x).

    Science.gov (United States)

    Pan, C B; Zha, F X; Song, Y X; Shao, J; Dai, Y; Chen, X R; Ye, J Y; Wang, S M

    2015-07-15

    Femtosecond laser drilled holes of GaSbBi were characterized by the joint measurements of photoconductivity (PC) spectroscopy and laser-beam-induced current (LBIC) mapping. The excitation light in PC was focused down to 60 μm presenting the spectral information of local electronic property of individual holes. A redshift of energy band edge of about 6-8 meV was observed by the PC measurement when the excitation light irradiated on the laser drilled holes. The spatial resolving of photoelectric property was achieved by the LBIC mapping which shows "pseudo-holes" with much larger dimensions than the geometric sizes of the holes. The reduced LBIC current with the pseudo-holes is associated with the redshift effect indicating that the electronic property of the rim areas of the holes is modified by the femtosecond laser drilling.

  2. Thickness and temperature dependence of electrical resistivity of p-type Bi0.5Sb1.5Te3 thin films prepared by flash evaporation method

    International Nuclear Information System (INIS)

    Duan Xingkai; Yang Junyou; Zhu, W; Fan, X A; Bao, S Q

    2006-01-01

    P-type Bi 0.5 Sb 1.5 Te 3 thin films with thicknesses in the range 80-320 nm have been deposited by the flash evaporation method on glass substrates at 473 K. XRD and field emission scanning electron microscope were performed to characterize the thin films. The results show that the thin films are polycrystalline and the grain size of the thin films increases with increasing thickness of the thin films. Compositional analysis of the thin films was also carried out by energy-dispersive x-ray analysis. A near linear relationship was observed between the electrical resistivity and the inverse thickness of the annealed thin films, and it agrees with Tellier's model. Electrical resistivity of the annealed thin films was studied in the temperature range 300-350 K, and their thermal activation behaviour was characterized, the activation energy for conduction decreases with increasing thickness of the thin films

  3. Effects of an in vacancy on local distortion of fast phase transition in Bi-doped In3SbTe2

    Science.gov (United States)

    Choi, Minho; Choi, Heechae; Kim, Seungchul; Ahn, Jinho; Kim, Yong Tae

    2017-12-01

    Indium vacancies in Bi-doped In3SbTe2 (BIST) cause local distortion or and faster phase transition of BIST with good stability. The formation energy of the In vacancy in the BIST is relatively lower compared to that in IST due to triple negative charge state of the In vacancy ( V 3- In) and higher concentration of the V 3- In in BIST. The band gap of BIST is substantially reduced with increasing concentrations of the V 3- In and the hole carriers, which results in a higher electrical conductivity. The phase-change memory (PRAM) device fabricated with the BIST shows very fast, stable switching characteristics at lower voltages.

  4. Hydride generation atomic fluorescence spectrometric determination of As, Bi, Sb, Se(IV) and Te(IV) in aqua regia extracts from atmospheric particulate matter using multivariate optimization

    International Nuclear Information System (INIS)

    Moscoso-Perez, Carmen; Moreda-Pineiro, Jorge; Lopez-Mahia, Purificacion; Muniategui-Lorenzo, Soledad; Fernandez-Fernandez, Esther; Prada-Rodriguez, Dario

    2004-01-01

    A highly sensitive and simple method, based on hydride generation and atomic fluorescence detection, has been developed for the determination of As, Bi, Sb, Se(IV) and Te(IV) in aqua regia extracts from atmospheric particulate matter samples. Atmospheric particulates matter was collected on glass fiber filters using a medium volume sampler (PM1 particulate matter). Two-level factorial designs have been used to optimise the hydride generation atomic fluorescence spectrometry (HG-AFS) procedure. The effects of several parameters affecting the hydride generation efficiency (hydrochloric acid, sodium tetrahydroborate and potassium iodide concentrations and flow rates) have been evaluated using a Plackett-Burman experimental design. In addition, parameters affecting the hydride measurement (delay, analysis and memory times) have been also investigated. The significant parameters obtained (sodium tetrahydroborate concentration, sodium tetrahydroborate flow rate and analysis time for As; hydrochloric acid concentration and sodium tetrahydroborate flow rate for Se(IV); and sodium tetrahydroborate concentration and sodium tetrahydroborate flow rate for Te(IV)) have been optimized by using 2 n + star central composite design. Hydrochloric acid concentration and sodium tetrahydroborate flow rate were the significant parameters obtained for Sb and Bi determination, respectively. Using a univariate approach these parameters were optimized. The accuracy of methods have been verified by using several certified reference materials: SRM 1648 (urban particulate matter) and SRM 1649a (urban dust). Detection limits in the range of 6 x 10 -3 to 0.2 ng m -3 have been achieved. The developed methods were applied to several atmospheric particulate matter samples corresponding to A Coruna city (NW Spain)

  5. Thermal conductivity in Bi0.5Sb1.5Te3+x and the role of dense dislocation arrays at grain boundaries.

    Science.gov (United States)

    Deng, Rigui; Su, Xianli; Zheng, Zheng; Liu, Wei; Yan, Yonggao; Zhang, Qingjie; Dravid, Vinayak P; Uher, Ctirad; Kanatzidis, Mercouri G; Tang, Xinfeng

    2018-06-01

    Several prominent mechanisms for reduction in thermal conductivity have been shown in recent years to improve the figure of merit for thermoelectric materials. Such a mechanism is a hierarchical all-length-scale architecturing that recognizes the role of all microstructure elements, from atomic to nano to microscales, in reducing (lattice) thermal conductivity. In this context, there have been recent claims of remarkably low (lattice) thermal conductivity in Bi 0.5 Sb 1.5 Te 3 that are attributed to seemingly ordinary grain boundary dislocation networks. These high densities of dislocation networks in Bi 0.5 Sb 1.5 Te 3 were generated via unconventional materials processing with excess Te (which formed liquid phase, thereby facilitating sintering), followed by spark plasma sintering under pressure to squeeze out the liquid. We reproduced a practically identical microstructure, following practically identical processing strategies, but with noticeably different (higher) thermal conductivity than that claimed before. We show that the resultant microstructure is anisotropic, with notable difference of thermal and charge transport properties across and along two orthonormal directions, analogous to anisotropic crystals. Thus, we believe that grain boundary dislocation networks are not the primary cause of enhanced ZT through reduction in thermal conductivity. Instead, we can reproduce the purported high ZT through a favorable but impractical and incorrect combination of thermal conductivity measured along the pressing direction of anisotropy while charge transport measured in the direction perpendicular to the anisotropic direction. We believe that our work underscores the need for consistency in charge and thermal transport measurements for unified and verifiable measurements of thermoelectric (and related) properties and phenomena.

  6. Effect of Substitutional Pb Doping on Bipolar and Lattice Thermal Conductivity in p-Type Bi0.48Sb1.52Te₃.

    Science.gov (United States)

    Kim, Hyun-Sik; Lee, Kyu Hyoung; Yoo, Joonyeon; Youn, Jehun; Roh, Jong Wook; Kim, Sang-Il; Kim, Sung Wng

    2017-07-06

    Cation substitutional doping is an effective approach to modifying the electronic and thermal transports in Bi₂Te₃-based thermoelectric alloys. Here we present a comprehensive analysis of the electrical and thermal conductivities of polycrystalline Pb-doped p-type bulk Bi 0.48 Sb 1.52 Te₃. Pb doping significantly increased the electrical conductivity up to ~2700 S/cm at x = 0.02 in Bi 0.48-x Pb x Sb 1.52 Te₃ due to the increase in hole carrier concentration. Even though the total thermal conductivity increased as Pb was added, due to the increased hole carrier concentration, the thermal conductivity was reduced by 14-22% if the contribution of the increased hole carrier concentration was excluded. To further understand the origin of reduction in the thermal conductivity, we first estimated the contribution of bipolar conduction to thermal conductivity from a two-parabolic band model, which is an extension of the single parabolic band model. Thereafter, the contribution of additional point defect scattering caused by Pb substitution (Pb in the cation site) was analyzed using the Debye-Callaway model. We found that Pb doping significantly suppressed both the bipolar thermal conduction and lattice thermal conductivity simultaneously, while the bipolar contribution to the total thermal conductivity reduction increased at high temperatures. At Pb doping of x = 0.02, the bipolar thermal conductivity decreased by ~30% from 0.47 W/mK to 0.33 W/mK at 480 K, which accounts for 70% of the total reduction.

  7. Ferroelectric and magnetic properties in high-pressure synthesized BiFeO3 compound

    International Nuclear Information System (INIS)

    Zhai, L.; Shi, Y.G.; Gao, J.L.; Tang, S.L.; Du, Y.W.

    2011-01-01

    Highlights: → A high-density polycrystalline BiFeO 3 compound was synthesized by high-pressure annealing method. → The sample showed weak ferromagnetic at room temperature, which could be attributed to the lattice distortion induced by the high-pressure annealing. → Irregular domains were observed on the surface of the sample by piezoresponse force microscopy, and a typical hysteresis loop was obtained. - Abstract: High-density polycrystalline BiFeO 3 compound was synthesized by high-pressure annealing. Measurements of crystal structure, magnetic, and ferroelectric properties were made on the sample. It was found that the sample was almost single phase with a distorted R3c structure. The results of the X-ray photoelectron spectra demonstrate that the oxidation state of Fe in the sample is Fe 3+ . The room-temperature field dependence of magnetization for BiFeO 3 exhibits a hysteretic behavior. The observed weak ferromagnetism could be ascribed to the lattice distortion induced by the high-pressure annealing. In addition, the local ferroelectric performance of the sample was studied by piezoresponse force microscopy.

  8. Observation of topological surface states and strong electron/hole imbalance in extreme magnetoresistance compound LaBi

    Science.gov (United States)

    Jiang, J.; Schröter, N. B. M.; Wu, S.-C.; Kumar, N.; Shekhar, C.; Peng, H.; Xu, X.; Chen, C.; Yang, H. F.; Hwang, C.-C.; Mo, S.-K.; Felser, C.; Yan, B. H.; Liu, Z. K.; Yang, L. X.; Chen, Y. L.

    2018-02-01

    The recent discovery of the extreme magnetoresistance (XMR) in the nonmagnetic rare-earth monopnictides La X (X = P, As, Sb, Bi,), a recently proposed new topological semimetal family, has inspired intensive research effort in the exploration of the correlation between the XMR and their electronic structures. In this work, using angle-resolved photoemission spectroscopy to investigate the three-dimensional band structure of LaBi, we unraveled its topologically nontrivial nature with the observation of multiple topological surface Dirac fermions, as supported by our ab initio calculations. Furthermore, we observed substantial imbalance between the volume of electron and hole pockets, which rules out the electron-hole compensation as the primary cause of the XMR in LaBi.

  9. Topological phase, electronic, magnetic and optical properties of ScPdBi compound with Gd, Np and Cm impurities

    Energy Technology Data Exchange (ETDEWEB)

    Narimani, Mitra; Nourbakhsh, Zahra, E-mail: z.nourbakhsh@sci.ui.ac.ir

    2017-07-15

    Highlights: • Gd, Np and Cm impurities induce the magnetic moment in ScPdBi compound. • ScPdBi compound with Gd, Np and Cm impurities has normal band order. • The ε(0) and R(0) increase by increasing the atomic number of X atom. - Abstract: The electronic, magnetic and optical properties of X-doped ScPdBi (X = Gd, Np, Cm) are investigated in the framework of density functional theory. The exchange-correlation potential is treated using generalized gradient approximation with Coulomb interaction parameter. The band order and energy band gap of X-doped ScPdBi are investigated by calculation of band structure. The effect of doping impurity on magnetic properties of ScPdBi compound is studied by calculation of total and partial magnetic moments of X-doped ScPdBi compound. Furthermore, the optical properties of X-doped ScPdBi are calculated and compared in the energy range of 0–25 eV.

  10. Study of magnetic structure of neptunium compounds: Np As, Np Sb, Np Se et Np Ru2 Si2

    International Nuclear Information System (INIS)

    Bonnisseau, D.

    1987-11-01

    Magnetic behavior and localization of 5f electrons in actinide compounds is studied experimentally by Moessbauer spectroscopy and neutron diffraction. Binary actinide compounds with a NaCl structure are examined and properties of U, Pu and Np monopnictides and monochalcogenides are recalled. Results of neutron diffraction by NpAs and NpSb are discussed and results of magnetic susceptibility, magnetization, Moessbauer spectroscopy and neutron diffraction measurements on NpSe and NpTe are presented. Magnetic properties of NpRu 2 Si 2 are also presented. Heavy fermion system electronic and magnetic properties are described and theory is discussed. Electronic and magnetic properties of CeCu 2 Si 2 , CeRu 2 Si 2 and URu 2 Si 2 are compared to NpRu 2 Si 2 which has the same crystal structure [fr

  11. Fabrication and characterization of the p-type (Bi2Te3)x(Sb2Te3)1 ...

    Indian Academy of Sciences (India)

    electric materials in the composition range x = 0⋅2–0⋅3. (Yang et al 2000), but with improved thermoelectric properties, have been prepared by the zone melting method. The influence of Bi2Te3 content on thermoelectric properties was studied at room temperature. The results showed that the maximum figure of merit ...

  12. Antiphase Boundaries in the Turbostratically Disordered Misfit Compound (BiSe)(1+δ)NbSe2.

    Science.gov (United States)

    Mitchson, Gavin; Falmbigl, Matthias; Ditto, Jeffrey; Johnson, David C

    2015-11-02

    (BiSe)(1+δ)NbSe2 ferecrystals were synthesized in order to determine whether structural modulation in BiSe layers, characterized by periodic antiphase boundaries and Bi-Bi bonding, occurs. Specular X-ray diffraction revealed the formation of the desired compound with a c-axis lattice parameter of 1.21 nm from precursors with a range of initial compositions and initial periodicities. In-plane X-ray diffraction scans could be indexed as hk0 reflections of the constituents, with a rectangular basal BiSe lattice and a trigonal basal NbSe2 lattice. Electron micrographs showed extensive turbostratic disorder in the samples and the presence of periodic antiphase boundaries (approximately 1.5 nm periodicity) in BiSe layers oriented with the [110] direction parallel to the zone axis of the microscope. This indicates that the structural modulation in the BiSe layers is not due to coherency strain resulting from commensurate in-plane lattices. Electrical transport measurements indicate that holes are the dominant charge carrying species, that there is a weak decrease in resistivity as temperature decreases, and that minimal charge transfer occurs from the BiSe to NbSe2 layers. This is consistent with the lack of charge transfer from the BiX to the TX2 layers reported in misfit layer compounds where antiphase boundaries were observed. This suggests that electronic considerations, i.e., localization of electrons in the Bi-Bi pairs at the antiphase boundaries, play a dominant role in stabilizing the structural modulation.

  13. Thermoelectric and Transport Properties of N-Type Bi{sub 2−x}Sb{sub x}Te{sub 3−y}Se{sub y} Solid Solutions

    Energy Technology Data Exchange (ETDEWEB)

    Eum, A-Young; Kim, Il-Ho [Korea National University of Transportation, Chungju (Korea, Republic of)

    2017-03-15

    Bi{sub 2−x}Sb{sub x}Te{sub 3−y}Se{sub y} (x = 0.1, 0.2 and y = 0.15, 0.3) solid solutions were prepared using encapsulated melting and hot pressing. The lattice constants decreased with increases in the Sb and the Se contents, which revealed the successful formation of solid solutions. The relative densities of the hot-pressed specimens were 95 - 98%. All specimens exhibited n-type conduction at temperatures from 323 K to 523 K, and the electrical conductivity slightly decreased with increasing temperature. With an increase in the Se content, the Seebeck coefficient increased while the electrical and the thermal conductivities decreased; thus, the dimensionless figure of merit could be improved. The maximum dimensionless figure of merit ZT{sub max} = 0.89 was obtained at 423 K for Bi{sub 1.8}Sb{sub 0.2}Te{sub 2.7}Se{sub 0.3}. An increase in the Sb content resulted in a decrease in the lattice thermal conductivity because of an increase in alloy scattering, but its effect on the electrical properties was not superior to the effect of Se substitution. Therefore, Sb substitution could effectively control the thermal properties while Se substitution could effectively control the electrical properties.

  14. High absorption coefficients of the CuSb(Se,Te2 and CuBi(S,Se2 alloys enable high-efficient 100 nm thin-film photovoltaics

    Directory of Open Access Journals (Sweden)

    Chen Rongzhen

    2017-01-01

    Full Text Available We demonstrate that the band-gap energies Eg of CuSb(Se,Te2 and CuBi(S,Se2 can be optimized for high energy conversion in very thin photovoltaic devices, and that the alloys then exhibit excellent optical properties, especially for tellurium rich CuSb(Se1−xTex2. This is explained by multi-valley band structure with flat energy dispersions, mainly due to the localized character of the Sb/Bi p-like conduction band states. Still the effective electron mass is reasonable small: mc ≈ 0.25m0 for CuSbTe2. The absorption coefficient α(ω for CuSb(Se1−xTex2 is at ħω = Eg + 1 eV as much as 5–7 times larger than α(ω for traditional thin-film absorber materials. Auger recombination does limit the efficiency if the carrier concentration becomes too high, and this effect needs to be suppressed. However with high absorptivity, the alloys can be utilized for extremely thin inorganic solar cells with the maximum efficiency ηmax ≈ 25% even for film thicknesses d ≈ 50 − 150 nm, and the efficiency increases to ∼30% if the Auger effect is diminished.

  15. High absorption coefficients of the CuSb(Se,Te)2 and CuBi(S,Se)2 alloys enable high-efficient 100 nm thin-film photovoltaics

    Science.gov (United States)

    Chen, Rongzhen; Persson, Clas

    2017-06-01

    We demonstrate that the band-gap energies Eg of CuSb(Se,Te)2 and CuBi(S,Se)2 can be optimized for high energy conversion in very thin photovoltaic devices, and that the alloys then exhibit excellent optical properties, especially for tellurium rich CuSb(Se1-xTex)2. This is explained by multi-valley band structure with flat energy dispersions, mainly due to the localized character of the Sb/Bi p-like conduction band states. Still the effective electron mass is reasonable small: mc ≈ 0.25m0 for CuSbTe2. The absorption coefficient α(ω) for CuSb(Se1-xTex)2 is at ħω = Eg + 1 eV as much as 5-7 times larger than α(ω) for traditional thin-film absorber materials. Auger recombination does limit the efficiency if the carrier concentration becomes too high, and this effect needs to be suppressed. However with high absorptivity, the alloys can be utilized for extremely thin inorganic solar cells with the maximum efficiency ηmax ≈ 25% even for film thicknesses d ≈ 50 - 150 nm, and the efficiency increases to ˜30% if the Auger effect is diminished.

  16. Magnetic and structural properties of the magnetic shape memory compound Ni2Mn1.48Sb0.52

    International Nuclear Information System (INIS)

    Brown, P J; Gandy, A P; Neumann, K U; Sheikh, A; Ziebeck, K R A; Ishida, K; Oikawa, K; Ito, W; Kainuma, R; Kanomata, T; Ouladdiaf, B

    2010-01-01

    Magnetization and high resolution neutron powder diffraction measurements on the magnetic shape memory compound Ni 2 Mn 1.48 Sb 0.52 have confirmed that it is ferromagnetic below 350 K and undergoes a structural phase transition at T M ∼310 K. The high temperature phase has the cubic L2 1 structure with a = 5.958 A, with the excess manganese atoms occupying the 4(b) Sb sites. In the cubic phase above ∼310 K the manganese moments are ferromagnetically aligned. The magnetic moment at the 4(a) site is 1.57(12) μ B and it is almost zero (0.15(9) μ B ) at the 4(b) site. The low temperature orthorhombic phase which is only fully established below 50 K has the space group Pmma with a cell related to the cubic one by a Bain transformation a orth = (a cub + b cub )/2; b orth = c cub and c orth = (a cub - b cub ). The change in cell volume is ∼2.5%. The spontaneous magnetization of samples cooled in fields less than 0.5 T decreases at temperatures below T M and at 2 K the magnetic moment per formula unit in fields up to 5.5 T is 2.01(5) μ B . Neutron diffraction patterns obtained below ∼132 K gave evidence for a weak incommensurate magnetic modulation with propagation vector (2/3, 1/3, 0).

  17. Structure and Hyperfine Interactions in Aurivillius Bi9Ti3Fe5O27 Conventionally Sintered Compound

    International Nuclear Information System (INIS)

    Mazurek, M.; Lisinska-Czekaj, A.; Surowiec, Z.; Jartych, E.; Czekaj, D.

    2011-01-01

    The structure and hyperfine interactions in the Bi 9 Ti 3 Fe 5 O 27 Aurivillius compound were studied using X-ray diffraction and Moessbauer spectroscopy. Samples were prepared by the conventional solid-state sintering method at various temperatures. An X-ray diffraction analysis proved that the sintered compounds formed single phases at temperature above 993 K. Moessbauer measurements have been carried out at room and liquid nitrogen temperatures. Room-temperature Moessbauer spectrum of the Bi 9 Ti 3 Fe 5 O 27 compound confirmed its paramagnetic properties. However, low temperature measurements revealed the additional paramagnetic phase besides the antiferromagnetic one. (authors)

  18. Electronic, phonon and superconducting properties of LaPtBi half-Heusler compound

    Science.gov (United States)

    Shrivastava, Deepika; Sanyal, Sankar P.

    2018-05-01

    In the framework of density functional theory based on plane wave pseudopotential method and linear response technique, we have studied the electronic, phonon and superconducting properties of LaPtBi half-Heusler compound. The electronic band structure and density of states show that it is gapless semiconductor which is consistent with previous results. The positive phonon frequencies confirm the stability of this compound in cubic MgAgAs phase. Superconductivity is studied in terms of Eliashberg spectral function (α2F(ω)), electron-phonon coupling constants (λ). The value of electron-phonon coupling parameter is found to be 0.41 and the superconducting transition temperature is calculated to be 0.76 K, in excellent agreement with the experimentally reported values.

  19. Structural and thermomechanical properties of the zinc-blende AlX (X = P, As, Sb) compounds

    Science.gov (United States)

    Ha, Vu Thi Thanh; Hung, Vu Van; Hanh, Pham Thi Minh; Nguyen, Viet Tuyen; Hieu, Ho Khac

    2017-08-01

    The structural and thermomechanical properties of zinc-blende aluminum class of III-V compounds have been studied based on the statistical moment method (SMM) in quantum statistical mechanics. Within the SMM scheme, we derived the analytical expressions of the nearest-neighbor distance, thermal expansion coefficient, atomic mean-square displacement and elastic moduli (Young’s modulus, bulk modulus and shear modulus). Numerical calculations have been performed for zinc-blende AlX (X = As, P, Sb) at ambient conditions up to the temperature of 1000 K. Our results are in good and reasonable agreements with earlier measurements and can provide useful references for future experimental and theoretical works. This research presents a systematic approach to investigate the thermodynamic and mechanical properties of materials.

  20. Theoretical investigation on the magnetic and electric properties in TbSb compound through an anisotropic microscopic model

    Energy Technology Data Exchange (ETDEWEB)

    Ranke, P. J. von, E-mail: von.ranke@uol.com.br; Ribeiro, P. O.; Alho, B. P.; Alvarenga, T. S. T.; Nobrega, E. P.; Caldas, A.; Sousa, V. S. R.; Lopes, P. H. O.; Oliveira, N. A. de [Instituto de Física, Universidade do Estado do Rio de Janeiro–UERJ, Rua São Francisco Xavier, 524, 20550-013 Rio de Janeiro (RJ) (Brazil); Carvalho, A. Magnus G. [Laboratório Nacional de Luz Síncrotron, CNPEM, 13083-970 Campinas, São Paulo (Brazil)

    2016-05-14

    We report the strong correlations between the magnetoresistivity and the magnetic entropy change in the cubic antiferromagnetic TbSb compound. The theoretical investigation was performed through a microscopic model which takes into account the crystalline electrical field anisotropy, exchange coupling interactions between the up and down magnetic sublattices, and the Zeeman interaction. The easy magnetization directions changes from 〈001〉 to 〈110〉 and then to 〈111〉 observed experimentally was successfully theoretically described. Also, the calculation of the temperature dependence of electric resistivity showed good agreement with the experimental data. Theoretical predictions were calculated for the temperature dependence of the magnetic entropy and resistivity changes upon magnetic field variation. Besides, the difference in the spin up and down sublattices resistivity was investigated.

  1. Eu9Cd4-xCM2+x-y□ySb9: Ca9Mn4Bi9-type structure stuffed with coinage metals (Cu, Ag, and Au) and the challenges with classical valence theory in describing these possible zintl phases.

    Science.gov (United States)

    Kazem, Nasrin; Hurtado, Antonio; Klobes, Benedikt; Hermann, Raphaël P; Kauzlarich, Susan M

    2015-02-02

    The synthesis, crystal structure, magnetic properties, and europium Mössbauer spectroscopy of the new members of the 9-4-9 Zintl family of Eu(9)Cd(4-x)CM(2+x-y)□(y)Sb(9) (CM = coinage metal: Au, Ag, and Cu) are reported. These compounds crystallize in the Ca(9)Mn(4)Bi(9) structure type (9-4-9) with the 4g interstitial site almost half-occupied by coinage metals; these are the first members in the 9-4-9 family where the interstitial positions are occupied by a monovalent metal. All previously known compounds with this structure type include divalent interstitials where these interstitials are typically the same as the transition metals in the anionic framework. Single-crystal magnetic susceptibility data indicate paramagnetic behavior for all three compounds with antiferromagnetic ordering below 10 K (at 100 Oe) that shifts to lower temperature (x)CM(2+x-y)□(y)Sb(9) at 50 and 6.5 K in order to evaluate the valence of Eu cations. Although the Zintl formalism states that the five crystallographically distinct Eu sites in Eu(9)Cd(4-x)CM(2+x-y)□(y)Sb9 should bear Eu(2+), the Mössbauer spectral isomer shifts are clearly indicative of both 2+ and 3+ valence of the Eu cations with the Cu- and Au-containing compounds showing higher amounts of Eu(3+). This electronic configuration leads to an excess of negative charge in these compounds that contradicts the expected valence-precise requirement of Zintl phases. The spectra obtained at 6.5 K reveal magnetic ordering for both Eu(2+) and Eu(3+). The field dependence of Eu(2+) indicates two distinct magnetic sublattices, with higher and lower fields, and of a small field for Eu(3+). The site symmetry of the five Eu sites is not distinguishable from the Mössbauer data.

  2. Facile fabrication of core–shell ZnO/Bi{sub 0.5}Sb{sub 1.5}Te{sub 3} nanorods: Enhanced photoluminescence through electron charge

    Energy Technology Data Exchange (ETDEWEB)

    Shen, Shengfei; Gao, Hongli [School of Materials Science & Engineering, Beihang University, Beijing 100191 (China); Deng, Yuan, E-mail: dengyuan@buaa.edu.cn [School of Materials Science & Engineering, Beihang University, Beijing 100191 (China); Wang, Yao [School of Materials Science & Engineering, Beihang University, Beijing 100191 (China); Qu, Shengchun, E-mail: qsc@semi.ac.cn [Key Laboratory of Semiconductor Materials Science, Institute of Semiconductors, Chinese Academy of Sciences, Beijing 100083 (China)

    2016-01-15

    Graphical abstract: - Highlights: • The Bi{sub 0.5}Sb{sub 1.5}Te{sub 3}/ZnO core–shells prepared by combining a facile hydrothermal growth and magnetron sputtering approach. • The light absorption and photoluminescence emission of the ZnO and the Bi{sub 0.5}Sb{sub 1.5}Te{sub 3}/ZnO core–shells are investigated. • The core–shell structure reveals a simultaneous novelty enhancement of the photoluminescence emission in the UV and visible range. • The mechanism for the PL simultaneous enhancement is described. - Abstract: Surface decoration techniques are emerging as promising strategy to improve the optical properties of the ZnO based materials. The core–shell ZnO/Bi{sub 0.5}Sb{sub 1.5}Te{sub 3} nanorods were grown on a FTO substrate through a facile hydrothermal and magnetron sputtering combined approach. The microstructure of the core–shell nanorod arrays were investigated by the X-ray diffraction (XRD), a field emission Scanning electron microscopy (SEM) and high resolution transmission electron microscope (HTEM). The optical properties of the core–shell nanorod arrays were investigated through the diffuse reflectance absorption spectra and photoluminescence emission. The visible light absorption and especially the photoluminescence emission of the ZnO nanorods are enhanced markedly with the Bi{sub 0.5}Sb{sub 1.5}Te{sub 3} grains coating the ZnO nanorods through the electron charge.

  3. Amorphous-to-crystalline transition in Ge{sub 8}Sb{sub (2-x)}Bi{sub x}Te{sub 11} phase-change materials for data recording

    Energy Technology Data Exchange (ETDEWEB)

    Svoboda, Roman, E-mail: roman.svoboda@upce.cz [Department of Physical Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentska 573, 532 10 Pardubice (Czech Republic); Karabyn, Vasyl [Department of General and Inorganic Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentska 573, 532 10 Pardubice (Czech Republic); Málek, Jiří [Department of Physical Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentska 573, 532 10 Pardubice (Czech Republic); Frumar, Miloslav [Department of General and Inorganic Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentska 573, 532 10 Pardubice (Czech Republic); Beneš, Ludvík; Vlček, Milan [Joint Laboratory of Solid State Chemistry of Institute of Macromolecular Chemistry of the Academy of Sciences of the Czech Republic v.v.i. and the University of Pardubice 532 10 Pardubice (Czech Republic)

    2016-07-25

    Structural and thermokinetic analyses were used to study the crystallization behavior of Ge{sub 8}Sb{sub (2-x)}Bi{sub x}Te{sub 11}thin films, promising materials for phase-change memory recording applications. By exploring the full compositional range, it was found that the Sb→Bi substitution leads to a decrease of crystallization enthalpy and activation energy of the main crystallization phase-change process. These trends were explained in terms of the changing structural ordering within the recently proposed new phase-change atomic switching mechanism. All of the compositions exhibited very similar transformation kinetics, confirming the uniformity of the phase-change mechanisms involved. It was further shown that rapid energy delivery achieved during heating, in the case of all investigated materials, leads to a transition from the classical nucleation/growth-based formation of 3D crystallites towards an autocatalytic phase-change process with an enormously increased speed of crystallization. Rapidity of the crystallization process was quantified for all of the studied compositions based on a novel Index of Crystallization Rapidity criterion – the results provided by this criterion showed that the highest crystallization speed was produced by the Ge{sub 8}Sb{sub 0.8}Bi{sub 1.2}Te{sub 11} composition, which therefore from this point of view appears to be a suitable candidate for the new generation of phase-change memory recording devices. - Highlights: • Crystallization behavior of Ge{sub 8}Sb{sub (2-x)}Bi{sub x}Te{sub 11} thin films was studied by DSC. • SbBi substitution leads to a decrease of crystallization enthalpy and activation energy. • All compositions exhibited very similar transformation kinetics. • Rapidity of the crystallization process was quantified for the studied compositions. • Highest crystallization speed was produced by the Ge{sub 8}Sb{sub 0.8}Bi{sub 1.2}Te{sub 11} composition.

  4. Growth behavior of Bi{sub 2}Te{sub 3} and Sb{sub 2}Te{sub 3} thin films on graphene substrate grown by plasma-enhanced chemical vapor deposition

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Chang Wan [Thin Film Materials Research Group, Korea Research Institute of Chemical Technology, Daejeon (Korea, Republic of); School of Electrical and Electronic Engineering, Yonsei University, Seoul (Korea, Republic of); Kim, Gun Hwan; Kang, Min A.; An, Ki-Seok; Lee, Young Kuk [Thin Film Materials Research Group, Korea Research Institute of Chemical Technology, Daejeon (Korea, Republic of); Kang, Seong Gu [School of Electrical Engineering and Computer Science, Gwangju Institute of Science and Technology, Gwangju (Korea, Republic of); Kim, Hyungjun [School of Electrical and Electronic Engineering, Yonsei University, Seoul (Korea, Republic of)

    2017-03-15

    A comparative study of the substrate effect on the growth mechanism of chalcogenide Bi{sub 2}Te{sub 3} and Sb{sub 2}Te{sub 3} thin films was carried out. Obvious microstructural discrepancy in both the as-deposited Bi{sub 2}Te{sub 3} and Sb{sub 2}Te{sub 3} thin films was observed when grown on graphene or SiO{sub 2}/Si substrate. Bi{sub 2}Te{sub 3} and Sb{sub 2}Te{sub 3} thin films deposited on the graphene substrate were observed to be grown epitaxially along c-axis and show very smooth surface compared to that on SiO{sub 2}/Si substrate. Based on the experimental results of this study, the initial adsorption sites on graphene substrate during deposition process, which had been discussed theoretically, could be demonstrated empirically. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. Single phase in Ba-dopped Bi-based high-T/sub c/ compound

    International Nuclear Information System (INIS)

    Rehman, M.A.; Maqsood, A.

    2001-01-01

    Ba-doped, Bi-based, high-Tc superconductor was prepared by a solid state reaction method. The nominal composition used was Bi/sub 1.6/Pb/sub 0.4/Sr/sub 1.6/Ba/sub 0.4/Ca/sub 2/Cu/sub 3/O/sub y/. The samples were characterized by dc electrical resistivity and ac magnetic susceptibility both as a function of temperature (T). Room temperature x-ray diffraction studies were also done. Binder chemicals do affect the properties of the samples and it was observed that samples prepared with polyvinyl alcohol binder chemical showed good reproducible results. All the Above measurements showed that in the compound Bi/sub 1.6/Pb/sub 0.4/Ca/sub 2/Cu/sub 3/O/sub y/ there exists a single high-T/sub c/ phase with T/sub c.0≅/109 plus minus 1K. It behaves like an ideal metal before the superconducting transition in ρ-T plot and the Mathiessen's rule could be fitted. The ac susceptibility measurements support the observations of electrical resistivity. The lattice constants of the material are a=5.416(7) degree A, b=5.455(6) degree A, and c=37.26(8) degree A. The c-axis lattice constant slightly increased with Ba-doping. This fact indicated that Ba was probably incorporated into the Sr site of the crystal structure. Large sized samples (Diameter '28mm and length' 11mm) are under investigation for thermal transport properties by transient Plane Source (TPS) method. (author)

  6. Structural and Electrical Properties Characterization of Sb1.52Bi0.48Te3.0 Melt-Spun Ribbons

    Directory of Open Access Journals (Sweden)

    Viktoriia Ohorodniichuk

    2017-06-01

    Full Text Available Melt-spinning (MS has been reported as a promising tool to tailor the microstructure of bulk thermoelectric materials leading to enhanced thermoelectric performances. Here, we report on a detailed characterization of p-type Bi0.48Sb1.52Te3 ribbons produced by melt-spinning. The microstructure of the melt-spun ribbons has been studied by means of X-ray diffraction, scanning and transmission electron microscopy (TEM. The analyses indicate that the ribbons are highly-textured with a very good chemical homogeneity. TEM reveals clear differences in the microstructure at large and short-range scales between the surface that was in contact with the copper wheel and the free surface. These analyses further evidence the absence of amorphous regions in the melt-spun ribbons and the precipitation of elemental Te at the grain boundaries. Low-temperature electrical resistivity and thermopower measurements (20–300 K carried out on several randomly-selected ribbons confirm the excellent reproducibility of the MS process. However, the comparison of the transport properties of the ribbons with those of bulk polycrystalline samples of the same initial composition shows that MS leads to a more pronounced metallic character. This difference is likely tied to changes in deviations from stoichiometry due to the out-of-equilibrium conditions imposed by MS.

  7. Fabrication and Enhanced Thermoelectric Properties of Alumina Nanoparticle-Dispersed Bi0.5Sb1.5Te3 Matrix Composites

    Directory of Open Access Journals (Sweden)

    Kyung Tae Kim

    2013-01-01

    Full Text Available Alumina nanoparticle-dispersed bismuth-antimony-tellurium matrix (Al2O3/BST composite powders were fabricated by using ball milling process of alumina nanoparticle about 10 nm and p-type bismuth telluride nanopowders prepared from the mechanochemical process (MCP. The fabricated Al2O3/BST composite powders were a few hundreds of nanometer in size, with a clear Bi0.5Sb1.5Te3 phase. The composite powders were consolidated into p-type bulk composite by spark plasma sintering process. High-resolution TEM images reveal that alumina nanoparticles were dispersed among the grain boundary or in the matrix grain. The sintered 0.3 vol.% Al2O3/BST composite exhibited significantly improved power factor and reduced thermal conductivity in the temperature ranging from 293 to 473 K compared to those of pure BST. From these results, the highly increased ZT value of 1.5 was obtained from 0.3 vol.% Al2O3/BST composite at 323 K.

  8. Improvement of thermoelectric properties of Bi{sub 2}Te{sub 3} and Sb{sub 2}Te{sub 3} films grown on graphene substrate

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Chang Wan [Thin Film Materials Research Group, Korea Research Institute of Chemical Technology, Daejeon (Korea, Republic of); School of Electrical and Electronic Engineering, Yonsei University, Seoul (Korea, Republic of); Kim, Gun Hwan; Choi, Ji Woon; An, Ki-Seok; Lee, Young Kuk [Thin Film Materials Research Group, Korea Research Institute of Chemical Technology, Daejeon (Korea, Republic of); Kim, Jin-Sang [Center for Electronic Materials, Korea Institute of Science and Technology, Seoul (Korea, Republic of); Kim, Hyungjun [School of Electrical and Electronic Engineering, Yonsei University, Seoul (Korea, Republic of)

    2017-06-15

    A study of substrate effect on the thermoelectric (TE) properties of Bi{sub 2}Te{sub 3} (BT) and Sb{sub 2}Te{sub 3} (ST) thin films grown by plasma-enhanced chemical vapor deposition (PECVD) was performed. Graphene substrates which have small lattice mismatch with BT and ST were used for the preparation of highly oriented BT and ST thin films. Carrier mobility of the epitaxial BT and ST films grown on the graphene substrates increased as the deposition temperature increased, which was not observed in that of SiO{sub 2}/Si substrates. Seebeck coefficients of the as-grown BT and ST films were observed to be maintained even though carrier concentration increased in the epitaxial BT and ST films on graphene substrate. Although Seebeck coefficient was not improved, power factor of the as-grown BT and ST films was considerably enhanced due to the increase of electrical conductivity resulting from the high carrier mobility and moderate carrier concentration in the epitaxial BT and ST films. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  9. Preparation of a radioactive boron compound (B-I-131-lipiodol) for neutron capture therapy of hepatoma

    International Nuclear Information System (INIS)

    Chou, F.I.; Chung, H.P.; Chung, R.J.; Wen, H.W.; Wei, Y.Y.; Kai, J.J.; Lui, W.Y.; Chi, C.W.

    2000-01-01

    In our research, a radioactive boron compound, B-I-131-lipiodol, that can be selectively retained in hepatoma cells was prepared. Combining the effect of α particles produced by boron neutron capture reaction with the β particles released by radionuclides in the radioactive boron compounds will produce a synergistic killing effect on cancer cells. Human hepatoma HepG2 cell cultures were used to examine the stability and the intracellular distribution of the radioactive boron drug. Microscopes were used to examine the interaction and retention of B-I-131-lipiodol globules in the individual hepatoma cell. Moreover, ICP-AES and NaI scintillation counter were performed to determine boron concentrations and I-131 radioactivity, respectively. Results showed that B-I-131-lipiodol with a boron concentration and a specific radioactivity ranged from 500-2000 ppm and 0.05-10 mCi/mL respectively was stably retained in serum. The radiochemical purity of B-I-131-lipiodol was 98%. After supplement with a medium containing B-I-131-lipiodol, the HepG2 cells had intracellular B-I-131-lipiodol globules in the cytoplasm as seen by inverted light microscope, the I-131 and boron can be stably retained in HepG2 cells. (author)

  10. Structural and electronic properties of the V-V compounds isoelectronic to GaN and isostructural to gray arsenic

    Science.gov (United States)

    Yang, Zhao; Han, Dan; Chen, Guohong; Chen, Shiyou

    2018-03-01

    The III-V binary compound semiconductors such as GaN, GaP, InN and InP have extensive applications in various optoelectronic, microwave and power-electronic devices. Using first-principles calculation, we systematically studied the structural and electronic properties of the V-V binary compounds (BiN, BiP, SbN and SbP) that are isoelectronic to GaN, GaP, InN and InP if Bi and Sb are in the +3 valence state. Interestingly, we found that the ground-state structures of BiP, SbN and SbP have the R-3m symmetry and are isostructural to the layered structure of gray arsenic, whereas BiN prefers a different ground-state structure with the C2 symmetry. Electronic structure calculations showed that the bulk BiN is a narrow bandgap semiconductor for its bandgap is about 0.2 eV. In contrast, BiP, SbN and SbP are metallic. The layered ground-state structure of the V-V binary compounds motivates us to study the electronic properties of their few-layer structures. As the structure becomes monolayer, their bandgaps increase significantly and are all in the range from about 1 eV to 1.7 eV, which are comparative to the bandgap of the monolayer gray arsenic. The monolayer BiP, SbN and SbP have indirect bandgaps, and they show a semiconductor-metal transition as the number of layers increase. Interestingly, the monolayer BiP has the largest splitting (350 meV) of the CBM valley, and thus may have potential application in novel spintronics and valleytronics devices.

  11. The Effect of SbI3 Doping on the Structure and Electrical Properties of n-Type Bi1.8Sb0.2Te2.85Se0.15 Alloy Prepared by the Free Growth Method

    Science.gov (United States)

    Wang, Xiaoyu; Yu, Yuan; Zhu, Bin; Gao, Na; Huang, Zhongyue; Xiang, Bo; Zu, Fangqiu

    2018-02-01

    Thermoelectric technology is regarded as one of the most promising direct power generation techniques via thermoelectric materials. However, the batch production and scale-up application are hindered because of the high-cost and poor performance. In this work, we adopt the free growth method to synthesize a series of the bulk materials of SbI3-doped Bi1.8Sb0.2Te2.85Se0.15 alloys. The structural and component investigations as well as the electrical properties characterization are carried out. The results show that SbI3 promotes the formation of Te-rich regions in the matrix. In addition, the synergistically optimized electrical conductivity and Seebeck coefficient are attained by controlling the SbI3 doping concentration. Thus, the sample with 0.30 wt.% SbI3 displays a highly increased power factor of ˜ 13.57 μW cm-1 K-2, which is nearly 21 times higher than that of the undoped one. Moreover, the free growth method is reproducible, convenient and economical. Therefore, it has great potential as a promising technology for the batch synthesis.

  12. Diffusive-like effects and possible non trivial local topology on the half-Heusler YPdBi compound

    Science.gov (United States)

    Souza, J. C.; Lesseux, G. G.; Urbano, R. R.; Rettori, C.; Pagliuso, P. G.

    2018-05-01

    The non-ambiguous experimental identification of topological states of matter is one of the main interesting problems regarding this new quantum state of matter. In particular, the half-Heusler family RMT (R = rare-earth, T = Pd, Pt or Au and T = Bi, Sb, Pb or Sn) could be a useful platform to explore these states due to their cubic symmetry and the topological properties tunable via their unit cell volume and/or the nuclear charges of the M and T atoms. In this work, we report electron spin resonance (ESR) and complementary macroscopic measurements in the Nd3 + -doped putative topologically trivial semimetal YPdBi. Following the Nd3 + ESR lineshape as a function of microwave power, size of the particle and temperature, we have been able to observe an evolution from a Dysonian lineshape to a diffusive-like lineshape. Furthermore, the Nd3 + ESR intensity saturation is concentration dependent, which could be due to a phonon-bottleneck process. Comparing these results with the Nd3 + -doped YPtBi, we discuss a possible scenario in which the Nd3 + ions could locally tune the topological properties of the system.

  13. Thermodynamic data for the speciation and solubility of Pd, Pb, Sn, Sb, Nb and Bi in aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Lothenbach, B.; Ochs, M. [BMG Engineering Ltd., Zuerich-Schlieren (Switzerland); Wanner, H.; Yui, Mikazu

    1999-01-01

    This report provides thermodynamic data for predicting concentrations of palladium, lead, tin, antimony, niobium and bismuth in geologic environments, and contributes to an integration of the JNC chemical thermodynamic database, JNC-TDB (previously PNC-TDB), for the performance analysis of geological isolation system of high-level radioactive wastes. Besides treating hydrolysis in detail, this report focuses on the formation of complexes or compounds with chloride, fluoride, carbonate, nitrate, sulfate and phosphate. Other important inorganic ligands (sulfide for lead and antimony, ammonia for palladium) are also included. In this study, the specific ion interaction theory (SIT) approach is used to extrapolate thermodynamic constants to zero ionic strength at 25degC. (author)

  14. Investigation of radiation shielding properties for MeO-PbCl2-TeO2 (MeO = Bi2O3, MoO3, Sb2O3, WO3, ZnO) glasses

    Science.gov (United States)

    Sayyed, M. I.; Çelikbilek Ersundu, M.; Ersundu, A. E.; Lakshminarayana, G.; Kostka, P.

    2018-03-01

    In this work, glasses in the MeO-PbCl2-TeO2 (MeO = Bi2O3, MoO3, Sb2O3, WO3, ZnO) system, which show a great potential for optoelectronic applications, were used to evaluate their resistance under high energy ionizing radiations. The basic shielding quantities for determining the penetration of radiation in glass, such as mass attenuation coefficient (μ/ρ), half value layer (HVL), mean free path (MFP) and exposure buildup factor (EBF) values were investigated within the energy range 0.015 MeV ‒ 15 MeV using XCOM program and variation of shielding parameters were compared with different glass systems and ordinary concrete. From the derived results, it was determined that MeO-PbCl2-TeO2 (MeO = Bi2O3, MoO3, Sb2O3, WO3, ZnO) glasses show great potentiality to be used under high energy radiations. Among the studied glass compositions, Bi2O3 and WO3 containing glasses were found to possess superior gamma-ray shielding effectiveness.

  15. Low-temperature phase MnBi compound: A potential candidate for rare-earth free permanent magnets

    International Nuclear Information System (INIS)

    Ly, V.; Wu, X.; Smillie, L.; Shoji, T.; Kato, A.; Manabe, A.; Suzuki, K.

    2014-01-01

    Highlights: • The spin reorientation temperature of MnBi is suppressed by nanoscale grain refinement. • Hardness parameter of MnBi reaches as large as 2.8 at 580 K. • MnBi has a great potential as a hard phase in rare-earth free nanocomposite magnets. • Improving the surface passivity is a remaining task for MnBi-based permanent magnets. - Abstract: The low-temperature phase (LTP) MnBi is one of the few rare-earth free compounds that exhibit a large magnetocrystalline anisotropy energy in the order of 10 6 J/m 3 . A large coercive field (μ 0 H cj ) above 1 T can be obtained readily by reducing the crystallite size (D) through mechanical grinding (MG). The room-temperature H cj values follow a phenomenological expression μ 0 H cj = μ 0 H a (δ/D) n where the anisotropy field (μ 0 H a ) is ∼4 T, the Bloch wall width (δ) is 7 nm and the exponent (n) is about 0.7 in our study. The grain refinement upon MG is accompanied by suppression of the spin reorientation transition temperature (T SR ) from 110 K to below 50 K. The coercive field starts to exhibit positive temperature dependence approximately 50 K above T SR and the room-temperature magnetic hardening induced by MG could partially be brought about by the lowered onset of this positive temperature dependence. The suppression of T SR by MG is likely to be induced by the surface anisotropy with which the 2nd order crystal field term is enhanced. One of the shortcomings of LTP-MnBi is its poor phase stability under the ambient atmosphere. The spontaneous magnetization decreases considerably after room-temperature aging for 1 week. This is due to oxidation of Mn which leads to decomposition of the MnBi phase. Hence, the surface passivity needs to be established before this material is considered for a permanent magnet in practical uses. Another shortcoming is the limited spontaneous magnetization. The theoretical upper limit of the maximum energy product in LTP-MnBi remains only a quarter of that in Nd 2

  16. Effects of Ni and carbon-coated Ni addition on the thermoelectric properties of 25Bi{sub 2}Te{sub 3}+75Sb{sub 2}Te{sub 3} base composites

    Energy Technology Data Exchange (ETDEWEB)

    Yoon, Sang Min; Dharmaiah, Peyala; Femi, Olu Emmanuel; Lee, Chul Hee; Hong, Soon-Jik, E-mail: hongsj@kongju.ac.kr

    2017-07-01

    In this paper, we report the effect of nickel (Ni) and carbon coated nickel (C-Ni) on the thermoelectric and mechanical properties of 25Bi{sub 2}Te{sub 3}+75Sb{sub 2}Te{sub 3} (GA) base composites. Ni and C-Ni powders were synthesized using pulse wire evaporation and mixed with 25Bi{sub 2}Te{sub 3}+75Sb{sub 2}Te{sub 3} in a planetary ball mill. The morphology of the Ni and C-Ni powders and GA + x (x = none, Ni, or C-Ni) composites were examined using transmission electron microscopy (TEM) and scanning electron microscopy (SEM). The thermoelectric properties of the GA + x (x = none, Ni, or C-Ni) composites shows that the addition of Ni increases the carrier concentration while the presence of C-Ni reduces the carrier concentration to a level comparable to the bare sample (x = 0). Subsequently, the Seebeck coefficient of the GA + C-Ni sample increases by about 18% more than in the bare sample. The thermal conductivity of the GA + Ni and GA + C-Ni samples was considerably lower at room temperature compared to the bare sample. The mechanical properties of the GA + Ni and GA + C-Ni composite samples show a three-fold improvement compared to the bare sample. - Highlights: • Ni and carbon-coated Ni nanoparticles were incorporated into 25Bi{sub 2}Te{sub 3}+75Sb{sub 2}Te{sub 3} (BST) matrix. • Seebeck coefficient increased by 18% for BST/carbon coated Ni composites. • BST/carbon coated Ni composite reduces the thermal conductivity (21%). • The Vickers hardness of the BST/C-Ni composite samples significantly improved.

  17. Superconducting thin films of As-free pnictide LaPd{sub 1-x}Sb{sub 2} grown by reactive molecular beam epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Retzlaff, Reiner; Buckow, Alexander; Kurian, Jose; Alff, Lambert [Institute of Materials Science, Technische Universitaet Darmstadt, Petersenstr. 23, 64287 Darmstadt (Germany)

    2013-07-01

    We use reactive molecular beam epitaxy as synthesis technique for the search of arsenic free pnictide superconductors. Epitaxial thin films of LaPd{sub 1-x}Sb{sub 2} were grown on (100) MgO substrates from elemental sources by simultaneous evaporation of high purity La, Pd and Sb metals by e-gun. LaPd{sub 1-x}Sb{sub 2} belongs to a novel class of pnictide superconductors with a peculiar pnictide square net layer. Previously, we have reported epitaxial growth of isostructural Bi based compounds. The substitution of Bi by Sb leads to thin films with metallic behavior and room temperature resistivity of about 85 μΩ cm. The highest observed transition temperature T{sub c} inLaPd{sub 1-x}Sb{sub 2} is 3.1 K and does not depend on x. We discuss strategies to increase T{sub c} in this pnictide subfamily.

  18. Theoretical investigation on thermoelectric properties of (Ca,Sr,Ba)Fe2(As/Bi)2 compounds under temperature

    Science.gov (United States)

    Jayalakshmi, D. S.; Sundareswari, M.; Viswanathan, E.; Das, Abhijeet

    2018-04-01

    The electrical conductivity, resistivity and Seebeck coefficient, Pauli magnetic susceptibility and power factor are computed under temperature (100 K - 800 K) in steps of 100 K for the theoretically designed compounds namely (Ca,Sr,Ba)Fe2Bi2 and their parent compounds namely (Ca,Sr,Ba)Fe2As2 by using Boltzmann transport theory interfaced to the Wien2k program. The Bulk modulus, electron phonon coupling constant, thermoelectric figure of merit (ZT) and transition temperature are calculated for the optimized anti ferromagnetic phase of the proposed compounds. The results are discussed for the novel compounds in view of their superconductivity existence and compared with their parent unconventional superconducting compounds.

  19. Structural and electronic properties of thallium compounds

    International Nuclear Information System (INIS)

    Paliwal, Neetu; Srivastava, Vipul

    2016-01-01

    The tight binding linear muffin-tin-orbital (TB-LMTO) method within the local density approximation (LDA has been used to calculate structural and electronic properties of thallium pnictides TlX (X=Sb, Bi) at high pressure. As a function of volume, the total energy is evaluated. Apart from this, the lattice parameter (a_0), bulk modulus (B_0), band structure (BS) and density of states (DOS) are calculated. From energy band diagram we observed metallic behaviour in TlSb and TlBi compounds. The values of equilibrium lattice constants and bulk modulus are agreed well with the available data.

  20. Structural and electronic properties of thallium compounds

    Energy Technology Data Exchange (ETDEWEB)

    Paliwal, Neetu, E-mail: neetumanish@gmail.com [Department of Physics, AISECT University Bhopal, 464993 (India); Srivastava, Vipul [Department of Engineering Physics, NRI Institute of Research & Technology, Raisen Road, Bhopal, 462021 (India)

    2016-05-06

    The tight binding linear muffin-tin-orbital (TB-LMTO) method within the local density approximation (LDA has been used to calculate structural and electronic properties of thallium pnictides TlX (X=Sb, Bi) at high pressure. As a function of volume, the total energy is evaluated. Apart from this, the lattice parameter (a{sub 0}), bulk modulus (B{sub 0}), band structure (BS) and density of states (DOS) are calculated. From energy band diagram we observed metallic behaviour in TlSb and TlBi compounds. The values of equilibrium lattice constants and bulk modulus are agreed well with the available data.

  1. Pressure-induced valence and structure change in some anti-Th3P4 structure rare earth compounds

    International Nuclear Information System (INIS)

    Werner, A.; Hochheimer, H.D.; Jayaraman, A.; Bucher, E.

    1981-01-01

    The anti-Th 3 P 4 structure compounds Yb 4 Bi 3 and Yb 4 Sb 3 have been investigated to 350 kbar by high pressure X-ray diffraction, using the diamond anvil cell. From the P-V data it is found that Yb 4 Bi 3 and Yb 4 Sb 3 are much more compressible, compared to Sm 4 Bi 3 before the valence transition. This suggests that a continuous change in the valence state of Yb takes place with pressure in the two compounds and that they may be in the mixed valent state already at ambient pressure. The ''collapsed'' anti-Th 3 P 4 structure becomes unstable in Yb 4 Bi 3 and Yb 4 Sb 3 and new lines appear at high pressure, that fit the NaCl structure. The latter structure change seems to occur also in the electronically collapsed Sm 4 Bi 3 . The results are presented and discussed. (Auth.)

  2. Synthesis, magnetic properties and Moessbauer spectroscopy for the pyrochlore family Bi{sub 2}BB Prime O{sub 7} with B=Cr and Fe and B Prime =Nb, Ta and Sb

    Energy Technology Data Exchange (ETDEWEB)

    Blanco, Maria C. [INFIQC (CONICET), Dpto. de Fisicoquimica, Fac. de Ciencias Quimicas, U.N.C., Cordoba (X5000HUA) (Argentina); Franco, Diego G. [INFIQC (CONICET), Dpto. de Fisicoquimica, Fac. de Ciencias Quimicas, U.N.C., Cordoba (X5000HUA) (Argentina); Centro Atomico Bariloche - CNEA, Av. E. Bustillo 9500, S.C. de Bariloche (8500), R.N. (Argentina); Jalit, Yamile; Pannunzio Miner, Elisa V. [INFIQC (CONICET), Dpto. de Fisicoquimica, Fac. de Ciencias Quimicas, U.N.C., Cordoba (X5000HUA) (Argentina); Berndt, Graciele; Paesano, Andrea [Departamento de Fisica, Universidade Estadual de Maringa, Parana (Brazil); Nieva, Gladys [Centro Atomico Bariloche - CNEA, Av. E. Bustillo 9500, S.C. de Bariloche (8500), R.N. (Argentina); Carbonio, Raul E., E-mail: carbonio@mail.fcq.unc.edu.ar [INFIQC (CONICET), Dpto. de Fisicoquimica, Fac. de Ciencias Quimicas, U.N.C., Cordoba (X5000HUA) (Argentina)

    2012-08-15

    The samples Bi{sub 2}BB Prime O{sub 7}, with B=Cr and Fe and B Prime =Nb, Ta and Sb were prepared by solid state method. The crystallographic structure was investigated on the basis of X-ray powder diffraction data. Rietveld refinements show that the crystal structure is cubic, space group Fd-3m. The Bi{sup 3+} cation on the eight-coordinate pyrochlore A-site shows displacive disorder, as a consequence of its lone pair electron configuration. There is also a considerable A-site disorder shown by Rietveld Analysis and confirmed in the case of the iron containing samples with Moessbauer spectroscopy. The magnetic measurements show paramagnetic behavior at all temperatures for the Cr oxides. The Fe pyrochlores show antiferromagnetic order around 10 K.

  3. Effects of lignin-derived phenolic compounds on xylitol production and key enzyme activities by a xylose utilizing yeast Candida athensensis SB18.

    Science.gov (United States)

    Zhang, Jinming; Geng, Anli; Yao, Chuanyi; Lu, Yinghua; Li, Qingbiao

    2012-10-01

    Candida athensensis SB18 is potential xylitol producing yeast isolated in Singapore. It has excellent xylose tolerance and is able to produce xylitol in high titer and yield. However, by-products, such as phenolic compounds, derived in lignocellulosic biomass hydrolysate might negatively influence the performance of this strain for xylitol production. In this work, four potential phenolic inhibitors, such as vanillin, syringaldehyde, 4-hydroxybenzaldehyde and phenol, were evaluated for their inhibitory effects on xylitol production by C. athensensis SB18. Phenol was shown to be the most toxic molecule on this microorganism followed by syringaldehyde. Vanillin and 4-hydroxylbenzaldehyde was less toxic than phenol and syringaldehyde, with vanillin being the least toxic. Inhibition was insignificant when the total content of inhibitors was below 1.0 g/L. The presence of phenolic compounds affected the activity of xylose reductase, however not on that of xylitol dehydrogenase. C. athensensis SB18 is therefore a potential xylitol producer from hemicellulosic hydrolysate due to its assimilation of such phenolic inhibitors. Copyright © 2012 Elsevier Ltd. All rights reserved.

  4. Enhancement of thermoelectric properties of Mg2Si compounds with Bi doping through carrier concentration tuning

    Science.gov (United States)

    Lee, Ji Eun; Cho, Sang-Hum; Oh, Min-Wook; Ryu, Byungi; Joo, Sung-Jae; Kim, Bong-Seo; Min, Bok-Ki; Lee, Hee-Woong; Park, Su-Dong

    2014-07-01

    The Bi-doped Mg2Si powder was fabricated with solid state reaction method and consolidated with hot pressing method and then its thermoelectric properties were investigated. The n-type transport properties were measured in all samples and temperature dependence of the electrical properties shows a behavior of degenerate semiconductors for Bi-doped samples. The electrical resistivity and the Seebeck coefficient were greatly reduced with Bi, which was mainly due to the increment of the carrier concentration. The samples have maximum carrier concentration of 8.2 × 1018 cm-3. The largest ZT value of 0.61 was achieve at 873 K for Mg2.04SiBi0.02. The Bi-doping was found to be an effective n-type dopant to adjust carrier concentration. [Figure not available: see fulltext.

  5. Bismuth absorption from sup 205 Bi-labelled pharmaceutical bismuth compounds used in the treatment of peptic ulcer disease

    Energy Technology Data Exchange (ETDEWEB)

    Dresow, B.; Fischer, R.; Gabbe, E.E.; Wendel, J.; Heinrich, H.C. (Eppendorf University Hospital, Hamburg (Germany))

    1992-04-01

    The absorption of bismuth from five {sup 205}Bi-labelled pharmaceutically used bismuth compounds was studied in man. From single oral doses of all compounds under investigation only <0.1% bismuth was absorbed and excreted with the urine. A significantly higher absorption was observed from the colloidal bismuth subcitrate and the basic bismuth gallate than from the basic bismuth salicylate, nitrate and aluminate. No retention of bismuth in the whole body was found from the single dose experiment. The biologic fast-term half-lives of absorbed bismuth were calculated to be 0.12 and 1.5 days. 14 refs., 2 figs., 1 tab.

  6. On the tin impurity in the thermoelectric compound ZnSb: Charge-carrier generation and compensation

    Energy Technology Data Exchange (ETDEWEB)

    Prokofieva, L. V., E-mail: lprokofieva496@gmail.com; Konstantinov, P. P.; Shabaldin, A. A. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation)

    2016-06-15

    The technique for measuring the Hall coefficient and electrical conductivity in the thermal cycling mode is used to study the effect of the Sn impurity on the microstructure and properties of pressed ZnSb samples. Tin was introduced as an excess component (0.1 and 0.2 at %) and as a substitutional impurity for Zn and Sb atoms in a concentration of (2–2.5) at % The temperature dependences of the parameters of lightly doped samples are fundamentally like similar curves for ZnSb with 0.1 at % of Cu. The highest Hall concentration, 1.4 × 10{sup 19} cm{sup –3} at 300 K, is obtained upon the introduction of 0.1 at % of Sn; the dimensionless thermoelectric figure of merit attains its maximum value of 0.85 at 660 K. The experimental data are discussed under the assumption of two doping mechanisms, which are effective in different temperature ranges, with zinc vacancies playing the decisive role of acceptor centers. In two ZnSb samples with SnSb and ZnSn additives, the charge-carrier compensation effect is observed; this effect depends on temperature and markedly changes with doping type. As in p-type A{sup IV}–B{sup VI} materials with a low Sn content, hole compensation can be attributed to atomic recharging Sn{sup 2+} → Sn{sup 4+}. Types of compensating complexes are considered.

  7. Effect of current on the microstructure and performance of (Bi2Te3)0.2(Sb2Te3)0.8 thermoelectric material via field activated and pressure assisted sintering

    International Nuclear Information System (INIS)

    Chen Ruixue; Meng Qingsen; Fan Wenhao; Wang Zhong

    2011-01-01

    (Bi 2 Te 3 ) 0.2 (Sb 2 Te 3 ) 0.8 thermoelectric material was sintered via a field activated and pressure assisted sintering (FAPAS) process. By applying different current intensity (0, 60, 320 A/cm 2 ) in the sintering process, the effects of electric current on the microstructure and thermoelectric performance were investigated. This demonstrated that the application of electric current in the sintering process could significantly improve the uniformity and density of (Bi 2 Te 3 ) 0.2 (Sb 2 Te 3 ) 0.8 samples. When the current intensity was raised to 320 A/cm 2 , the preferred orientation of grains was observed. Moreover, positive effects on the thermoelectric performance of applying electric current in the sintering process were also confirmed. An increase of 0.02 and 0.11 in the maximum figure of merit ZT value could be acquired by applying current of 60 and 320 A/cm 2 , respectively. (semiconductor materials)

  8. Enhanced thermoelectric properties in p-type Bi{sub 0.4}Sb{sub 1.6}Te{sub 3} alloy by combining incorporation and doping using multi-scale CuAlO{sub 2} particles

    Energy Technology Data Exchange (ETDEWEB)

    Song, Zijun; Liu, Yuan; Zhou, Zhenxing; Lu, Xiaofang; Wang, Lianjun [State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Materials Science and Engineering, Donghua University, Shanghai (China); Institute of Functional Materials, Donghua University, Shanghai (China); Zhang, Qihao [State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai (China); University of Chinese Academy of Sciences, Beijing (China); Jiang, Wan [State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Materials Science and Engineering, Donghua University, Shanghai (China); Institute of Functional Materials, Donghua University, Shanghai (China); School of Material Science and Engineering, Jingdezhen Ceramic Institute, Jingdezhen (China); Chen, Lidong [State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai (China)

    2017-01-15

    Multi-scale CuAlO{sub 2} particles are introduced into the Bi{sub 0.4}Sb{sub 1.6}Te{sub 3} matrix to synergistically optimize the electrical conductivity, Seebeck coefficient, and the lattice thermal conductivity. Cu element originating from fine CuAlO{sub 2} grains diffuses into the Bi{sub 0.4}Sb{sub 1.6}Te{sub 3} matrix and tunes the carrier concentration while the coarse CuAlO{sub 2} particles survive as the second phase within the matrix. The power factor is improved at the whole temperatures range due to the low-energy electron filtering effect on Seebeck coefficient and enhanced electrical transport property by mild Cu doping. Meanwhile, the remaining CuAlO{sub 2} inclusions give rise to more boundaries and newly built interfaces scattering of heat-carrying phonons, resulting in the reduced lattice thermal conductivity. Consequently, the maximum ZT is found to be enhanced by 150% arising from the multi-scale microstructure regulation when the CuAlO{sub 2} content reaches 0.6 vol.%. Not only that, but the ZT curves get flat in the whole temperature range after introducing the multi-scale CuAlO{sub 2} particles, which leads to a remarkable increase in the average ZT. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  9. Scanning thermal microscopy of Bi{sub 2}Te{sub 3} and Yb{sub 0.19}Co{sub 4}Sb{sub 12} thermoelectric films

    Energy Technology Data Exchange (ETDEWEB)

    Zeipl, Radek; Remsa, Jan; Kocourek, Tomas [Institute of Physics ASCR v.v.i., Prague (Czech Republic); Jelinek, Miroslav [Institute of Physics ASCR v.v.i., Prague (Czech Republic); Czech Technical University in Prague, Faculty of Biomedical Engineering, Kladno (Czech Republic); Vanis, Jan [Institute of Physics ASCR v.v.i., Prague (Czech Republic); Institute of Photonics and Electronics ASCR v.v.i., Prague (Czech Republic); Navratil, Jiri [Institute of Macromolecular Chemistry ASCR v.v.i., Prague (Czech Republic)

    2016-04-15

    Thermal conductivity of thermoelectric Bi{sub 2}Te{sub 3} and Yb{sub 0.19}Co{sub 4}Sb{sub 12} thin nanolayers of different thicknesses prepared by pulsed laser deposition on Si (100) substrates was studied by a scanning thermal microscope working in AC current pulse mode. A sensitivity of the approach is demonstrated on the steep Si substrate-layer boundary made by a Ga+ focused ion beam technique. Transport and thermoelectric properties such as in-plane electrical resistivity and the Seebeck coefficient were studied in temperature range from room temperature up to 200 C. The room temperature thermal conductivity of the layers was estimated from thermoelectric figure of merit that was measured by the Harman technique, in which parameters related to electrical conductivity, Seebeck coefficient and thermal conductivity are measured at the same place and at the same time with electrical current flowing through the layer. For Yb{sub 0.19}Co{sub 4}Sb{sub 12} and Bi{sub 2}Te{sub 3} layers, we observed room temperature electrical resistivity of about 7 and 1 mΩcm, the Seebeck coefficient of -112 and -61μVK{sup -1}, thermoelectric figure of merit about 0.04 and 0.13 and we estimated thermal conductivity of about 1.3 and 0.9 WK{sup -1}m{sup -1}, respectively. (orig.)

  10. Superconducting transition in TlBiTe/sub 2/ and TlTe compounds

    Energy Technology Data Exchange (ETDEWEB)

    Kantser, V G; Popovich, N S; Sidorenko, A S

    1985-10-01

    On the basis of zone structure calculation for TlBiTe/sub 2/ and TlTe it is found that TlBiTe/sub 2/ is a narrow-gap semiconductor and TlTe is a p-metal. At Tsub(c)=0.19 K TlTe is found to experience the superconducting transition. In TlBiTe/sub 2/ superconductivity is not observed to occur up to 0.05 K, since there is a possibility of occupying the high density of states zones because they are remote from actual ones. The earlier discovered superconducting transition in TlBiTe/sub 2/ is inherent in the alien phase of TlTe.

  11. Electric Field-Induced Large Strain in Ni/Sb-co Doped (Bi0.5Na0.5) TiO3-Based Lead-Free Ceramics

    Science.gov (United States)

    Li, Liangliang; Hao, Jigong; Xu, Zhijun; Li, Wei; Chu, Ruiqing

    2018-02-01

    Lead-free piezoelectric ceramics (Bi0.5Na0.5)0.935Ba0.065Ti1- x (Ni0.5Sb0.5) x O3 (BNBT6.5- xNS) have been fabricated using conventional solid sintering technique. The effect of (Ni, Sb) doping on the phase structure and electrical properties of BNBT6.5 ceramics were systematically investigated. Results show that the addition of (Ni, Sb) destroyed the ferroelectric long-range order of BNBT6.5 and shifted the ferroelectric-relaxor transition temperature ( T F-R) down to room temperature. Thus, this process induced an ergodic relaxor phase at zero field in samples with x = 0.005. Under the electric field, the ergodic relaxor phase could reversibly transform to ferroelectric phase, which promotes the strain response with peak value of 0.38% (at 80 kV/cm, corresponding to d 33 * = 479 pm/V) at x = 0.005. Temperature-dependent measurements of both polarization and strain confirmed that the large strain originated from a reversible field-induced ergodic relaxor to ferroelectric phase transformation. The proposed material exhibits potential for nonlinear actuators.

  12. Room temperature transport properties of new BiSrCaCuO compounds; Proprietes de transport a la temperature ambiante de nouveaux composes BiSrCaCuO

    Energy Technology Data Exchange (ETDEWEB)

    Lagues, M.; Partiot, C.; Mairet, V.; Hatterer, C.; Xu, X.Z.; Deville Cavellin, C. [Laboratoire Surface et Supraconducteurs, Ecole Superieure de Physique et de Chimie Industrielle, CNRS UPR5, Universite Paris, 75 - Paris (France); Beuran, C.; Eustache, B.; Moussy, J.B. [Wintici SA, 94 - Vincennes (France)

    1997-05-01

    New compounds belonging to the BiSrCaCuO cuprate family have been synthesized by sequentially imposed layer epitaxy. The Cu/Ca ratio in these compounds is typically twice the value for conventional Bi{sub 2}Sr{sub 2}Ca{sub n-1}Cu{sub n+4}. A second characteristic of the new compounds is a Bi deficiency relative to conventional BSCCO. The room temperature electrical resistivity of these compounds reaches extremely low values, orders of magnitude below that of copper. Strongly non-linear I(V) characteristics of various forms are observed; Typical examples are describes where the voltage dependence at the onset of measurable dissipation is either exponential or parabolic as a function of current intensity. Examples are also presented I(V) exhibits and hysteric behavior. (authors). 51 refs.

  13. Control microestructural en varistores cerámicos basados en el sistema ZnO-Bi2O3-Sb2O3 dopados con TiO2

    Directory of Open Access Journals (Sweden)

    Fernández-Hevia, D.

    2012-02-01

    Full Text Available Typically Titanium oxide is added to the formulation of Bi2O3-doped ZnO based varistors to enhance the growth of ZnO grains, thus allowing their application in low voltage devices. However its incorporation to formulation based on the ZnOBi2O3-Sb2O3 (ZBS system, characteristic of high voltage applications has not been analyzed jet. In this contribution it has been verified that far from promoting the ZnO grain growth, the incorporation of TiO2 to varistor formulations based on this ZBS ternary system leads to a better control of the varistor microstructure, which in turns causes an appreciable improvement of its electrical response.Típicamente el Óxido de Titanio se incorpora a la formulación de varistores basados en ZnO dopado con Bi2O3 para favorecer un crecimiento de los granos de ZnO, lo que determina su aplicación en dispositivos de bajo voltaje. Sin embargo su incorporación en formulaciones basadas en el ternario ZnO-Bi2O3-Sb2O3 (sistema ZBS, características de aplicaciones de alto voltaje, es algo que apenas se ha analizado. En este trabajo se ha comprobado que lejos de favorecer el crecimiento de los granos de ZnO, la incorporación de TiO2 a sistemas basados en dicho ternario ZBS lleva a un mayor control de la microestructura de estos electrocerámicos, y esto además se traduce en una apreciable mejoría de su respuesta eléctrica.

  14. Impact of microstructure on the thermoelectric properties of the ternary compound Ce{sub 3}Cu{sub 3}Sb{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Witas, Piotr, E-mail: pwitas@us.edu.pl [Institute of Physics, University of Silesia, Uniwersytecka 4, Katowice 40-007 (Poland); Goraus, Jerzy; Zajdel, Paweł; Balin, Katarzyna; Koperski, Janusz [Institute of Physics, University of Silesia, Uniwersytecka 4, Katowice 40-007 (Poland); Lelątko, Józef [Institute of Materials Science, University of Silesia, 75 Pułku Piechoty 1a, Chorzów 41-500 (Poland); Ślebarski, Andrzej [Institute of Physics, University of Silesia, Uniwersytecka 4, Katowice 40-007 (Poland)

    2017-01-15

    We present detailed structural and thermoelectric studies of the ternary compound Ce{sub 3}Cu{sub 3}Sb{sub 4}. This material is of interest due to previously reported considerable thermopower above room temperature (∼ 100 μV/K) and low thermal conductivity (2 W/(m K)). Here, we present detailed studies concerning microstructural and thermoelectric data, their variation across the samples and possible explanations for the observed behaviour. We have used X-ray diffraction, scanning electron microscopy (SEM), and time-of-flight secondary ion mass spectrometry (TOF-SIMS) for microstructural analysis. The thermoelectric properties were examined using a physical property measurement system (PPMS). We analyse the impact of the sample quality on the thermoelectric properties. The most unstable parameter is the material resistivity which varies between 1.5 and 15 mΩ cm at room temperature. The properties variability is mainly due to structural defects caused by stresses during material preparation and also due to formation of foreign phases CeCuSb{sub 2} and CeSb. The figure of merit ZT is also strongly dependent on the quality of the sample. The largest value ZT ≈ 0.15 at 400 K is determined for the almost stoichiometric sample with small amounts of a impurity phases. - Highlights: •The Ce{sub 3}Cu{sub 3}Sb{sub 4} has considerable thermoelectric properties and potential for further chemical and/or structural modification. •The control over foreign phases formation is challenging. •The defects arising during arc melting process highly deteriorate ZT of material.

  15. The Bi{sup 3+} 6s and 6p electron binding energies in relation to the chemical environment of inorganic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Awater, Roy H.P., E-mail: R.H.P.Awater@tudelft.nl; Dorenbos, Pieter

    2017-04-15

    This paper provides an overview and interpretation of the spectroscopic data of the Bi{sup 3+} activator ion in 117 different inorganic compounds. The energies of the metal-to-metal charge transfer and the interconfigurational transitions of Bi{sup 3+} were collected from the archival literature. Using these energies, in combination with the electron binding energies in the host conduction and valence band, the binding energies in the 6s ground state and 6p excited state were determined relative to the vacuum level. The locations of the Bi{sup 3+} energy levels within the forbidden gap of the host compound provides valuable insight in the physical properties of the Bi{sup 3+} activator ion in different compounds.

  16. SÍNTESIS, CARACTERIZACIÓN ESTRUCTURAL Y PROPIEDADES MAGNÉTICAS DE COMPUESTOS SEMICONDUCTORES DEL TIPO Dy (x In (1-x Sb ISYNTHESIS, STRUCTURAL CHARACTERIZATION AND MAGNETIC PROPERTIES OF SEMICONDUCTOR COMPOUNDS OF TYPE Dy x In (1-x S

    Directory of Open Access Journals (Sweden)

    Euclides J. Velazco Rivero

    2018-04-01

    Full Text Available Semiconductor compounds of molecular formula of type DyxIn (1-x Sb (x = 0,02; 0,03; 0,04; 0,05; 0,06 y 0,07 were synthesized by means of direct interaction of the elements under heat treatment to 550°C during 11 days in vacuum sealed quartz ampoules. The analyses by X-rays diffraction showed that the compounds with x = 0,02; 0,03 y 0,04 presented pure phases of InSb doped with Dy without presence of alternate phases of DySb. These compounds, analyzed by scanning electronic microscopy – SEM, showed particles with a variety of shapes and sizes each one. Whereas the magnetic susceptibility measurements showed that those doped compounds, in spite of their paramagnetic behavior, the predominant magnetic interaction is ferromagnetic due to their positive Curie temperature (θ

  17. Low-temperature phase MnBi compound: A potential candidate for rare-earth free permanent magnets

    Energy Technology Data Exchange (ETDEWEB)

    Ly, V.; Wu, X.; Smillie, L. [Department of Materials Engineering, Monash University, Clayton, VIC 3800 (Australia); Shoji, T.; Kato, A.; Manabe, A. [Toyota Motor Corporation, Mishuku, Susono, Shizuoka 410-1193 (Japan); Suzuki, K., E-mail: kiyonori.suzuki@monash.edu [Department of Materials Engineering, Monash University, Clayton, VIC 3800 (Australia)

    2014-12-05

    Highlights: • The spin reorientation temperature of MnBi is suppressed by nanoscale grain refinement. • Hardness parameter of MnBi reaches as large as 2.8 at 580 K. • MnBi has a great potential as a hard phase in rare-earth free nanocomposite magnets. • Improving the surface passivity is a remaining task for MnBi-based permanent magnets. - Abstract: The low-temperature phase (LTP) MnBi is one of the few rare-earth free compounds that exhibit a large magnetocrystalline anisotropy energy in the order of 10{sup 6} J/m{sup 3}. A large coercive field (μ{sub 0}H{sub cj}) above 1 T can be obtained readily by reducing the crystallite size (D) through mechanical grinding (MG). The room-temperature H{sub cj} values follow a phenomenological expression μ{sub 0}H{sub cj} = μ{sub 0}H{sub a}(δ/D){sup n} where the anisotropy field (μ{sub 0}H{sub a}) is ∼4 T, the Bloch wall width (δ) is 7 nm and the exponent (n) is about 0.7 in our study. The grain refinement upon MG is accompanied by suppression of the spin reorientation transition temperature (T{sub SR}) from 110 K to below 50 K. The coercive field starts to exhibit positive temperature dependence approximately 50 K above T{sub SR} and the room-temperature magnetic hardening induced by MG could partially be brought about by the lowered onset of this positive temperature dependence. The suppression of T{sub SR} by MG is likely to be induced by the surface anisotropy with which the 2nd order crystal field term is enhanced. One of the shortcomings of LTP-MnBi is its poor phase stability under the ambient atmosphere. The spontaneous magnetization decreases considerably after room-temperature aging for 1 week. This is due to oxidation of Mn which leads to decomposition of the MnBi phase. Hence, the surface passivity needs to be established before this material is considered for a permanent magnet in practical uses. Another shortcoming is the limited spontaneous magnetization. The theoretical upper limit of the maximum

  18. Investigation of the transport properties and compositions of the Ca{sub 2}RE{sub 7}Pn{sub 5}O{sub 5} series (RE=Pr, Sm, Gd, Dy; Pn=Sb, Bi)

    Energy Technology Data Exchange (ETDEWEB)

    Forbes, Scott [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario L8S 4M1 (Canada); Yuan, Fang [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario L8S 4M1 (Canada); Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); Kosuda, Kosuke; Kolodiazhnyi, Taras [Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); Mozharivskyj, Yurij, E-mail: mozhar@mcmaster.ca [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario L8S 4M1 (Canada)

    2016-10-15

    The Ca{sub 2}RE{sub 7}Pn{sub 5}O{sub 5} phases (RE=Pr, Sm, Gd, Dy; Pn=Sb, Bi) were successfully prepared from high temperature reactions at 1225–1300 °C. These phases maintain the same structure types as the parent RE{sub 9}Pn{sub 5}O{sub 5} phases, except for a Ca/RE mixing. The study and preparation of these phases was motivated by the desire to shift the metallic type properties of the parent RE{sub 9}Pn{sub 5}O{sub 5} phases to a level more suitable for thermoelectric applications. Electrical resistivity measurements performed on pure, bulk samples indicated all phases to be narrow band gap semiconductors or semimetals, supporting the charge balanced electron count of the Ca{sub 2}RE{sub 7}Pn{sub 5}O{sub 5} composition. Unfortunately, all samples are too electrically resistive for any potential usage as thermoelectrics. Electronic band structure calculations performed on idealized RE{sub 9}Pn{sub 5}O{sub 5} structures revealed the presence of a pseudogap at the Fermi level, which is consistent with the observed electrical resistivity and Seebeck coefficient behavior. - Graphical abstract: Ca substitution in RE{sub 9}Pn{sub 5}O{sub 5} leads to charge-balanced Ca{sub 2}RE{sub 7}Pn{sub 5}O{sub 5} phases with semiconducting or semimetallic properties. - Highlights: • The RE{sub 9}Pn{sub 5}O{sub 5} structure may be stabilized with calcium substitution in the form of Ca{sub 2}RE{sub 7}Pn{sub 5}O{sub 5}. • The Ca{sub 2}RE{sub 7}Pn{sub 5}O{sub 5} phases maintain the parent P 4/n structure, albeit with Ca/RE mixing. • The Ca{sub 2}RE{sub 7}Sb{sub 5}O{sub 5} phases behave as semiconductors while Ca{sub 2}RE{sub 7}Bi{sub 5}O{sub 5} are semimetals with electron-electron correlations. • Electronic structure calculations yield a semimetal-like density of states for both Ca{sub 2}RE{sub 7}Sb{sub 5}O{sub 5} and Ca{sub 2}RE{sub 7}Bi{sub 5}O{sub 5}.

  19. On the peculiarities of galvanomagnetic effects in high magnetic fields in twisting bicrystals of the 3D topological insulator Bi{sub 1–x}Sb{sub x} (0.07 ≤ x ≤ 0.2)

    Energy Technology Data Exchange (ETDEWEB)

    Muntyanu, F. M., E-mail: muntean-teodor@yahoo.com [Academy of Sciences of Moldova, Institute of Electronic Engineering and Industrial Technologies (Moldova, Republic of); Gheorghitsa, E. I. [Technical University of Moldova (Moldova, Republic of); Gilewski, A. [International Laboratory of High Magnetic Fields and Low Temperatures (Poland); Chistol, V. [Tiraspol State University (Moldova, Republic of); Bejan, V. [Technical University of Moldova (Moldova, Republic of); Munteanu, V. [Academy of Sciences of Moldova, Institute of Electronic Engineering and Industrial Technologies (Moldova, Republic of)

    2017-04-15

    Galvanomagnetic effects in twisting bicrystals of Bi{sub 1–x}Sb{sub x} alloys (0.07 ≤ x ≤ 0.2) at low temperatures and in magnetic fields up to 40 T are studied. It is found that, at small crystallite misorientation angles, the semiconductor–semimetal transition is induced in the central layer (~60-nm-thick) and two adjacent layers (each ~20-nm-thick) of the interface at different values of ultraquantum magnetic field. Bicrystals with large misorientation angles, being located in strong magnetic fields, exhibit quantum oscillations of the magnetoresistance and the Hall effect, thus indicating that the density of states is higher and charge carriers are heavier in the adjacent layers of the interfaces than in the crystallites. Our results show also that twisting bicrystals contain regions with different densities of quantum electronic states, which are determined by the crystallite misorientation angle and magnetic-field strength.

  20. CHARGE-TRANSFER BETWEEN LAYERS IN MISFIT LAYER COMPOUNDS

    NARCIS (Netherlands)

    WIEGERS, GA

    1995-01-01

    Electron donation from MX double layers to TX(2) sandwiches, the interlayer bonding and the localization of conduction electrons in misfit layer compounds (MX)(p)(TX(2))(n) (M=Sn, Pb, Sb, Bi, rare earth metals; T=Ti, V, Cr, Nb, Ta; X=S, Se; 1.08

  1. Effect of spark plasma sintering conditions on the thermoelectric properties of (Bi{sub 0.25}Sb{sub 0.75}){sub 2}Te{sub 3} alloys

    Energy Technology Data Exchange (ETDEWEB)

    Lim, Sang-Soon [Center for Electronic Materials, Korea Institute of Science and Technology, Seoul 136-791 (Korea, Republic of); Department of Materials Science and Engineering, Yonsei University, Seoul 120-749 (Korea, Republic of); Kim, Ju-Heon [High Temp. Energy Materials Research Center, Korea Institute of Science and Technology, Seoul 136-791 (Korea, Republic of); Kwon, Beomjin; Kim, Seong Keun [Center for Electronic Materials, Korea Institute of Science and Technology, Seoul 136-791 (Korea, Republic of); Park, Hyung-Ho [Department of Materials Science and Engineering, Yonsei University, Seoul 120-749 (Korea, Republic of); Lee, Ki-Suk; Baik, Jeong Min [School of Materials and Science Engineering, UNIST, Ulsan 689-798 (Korea, Republic of); KIST-UNIST Ulsan Center for Convergent Materials, UNIST, Ulsan 689-798 (Korea, Republic of); Choi, Won Jun [Center for Opto-Electronic Materials and Devices, Korea Institute of Science and Technology, Seoul 136-791 (Korea, Republic of); Kim, Dong-Ik [High Temp. Energy Materials Research Center, Korea Institute of Science and Technology, Seoul 136-791 (Korea, Republic of); Hyun, Dow-Bin; Kim, Jin-Sang [Center for Electronic Materials, Korea Institute of Science and Technology, Seoul 136-791 (Korea, Republic of); Baek, Seung-Hyub, E-mail: shbaek77@kist.re.kr [Center for Electronic Materials, Korea Institute of Science and Technology, Seoul 136-791 (Korea, Republic of); KIST-UNIST Ulsan Center for Convergent Materials, UNIST, Ulsan 689-798 (Korea, Republic of); Department of Nanomaterials Science and Technology, Korea University of Science and Technology, Daejeon, 305-333 (Korea, Republic of)

    2016-09-05

    As a field-assisted technique, spark plasma sintering (SPS) enables densification of specimens in a very short period of time compared to other sintering techniques. For high performance thermoelectric material synthesis, SPS is widely used to fabricate nanograin-structured thermoelectric materials by rapidly densifying the nanopowders suppressing grain growth. However, the microstructural evolution behavior of thermoelectric materials by SPS, another important process during sintering, has been rarely studied. Here, we explore SPS as a tool to control the microstructure by long-time SPS. Using p-type (Bi{sub 0.25}Sb{sub 0.75}){sub 2}Te{sub 3} thermoelectric materials as a model system, we systematically vary SPS temperature and time to understand the correlations between SPS conditions, microstructural evolution, and the thermoelectric properties. Our results show that the relatively low eutectic temperature (∼420 °C) and the existence of volatile tellurium (Te) are critical factors to determine both microstructure and thermoelectric property. In the liquid-phase sintering regime, rapid evaporation of Te leads to a strong dependence of thermoelectric property on SPS time. On the other hand, in the solid-phase sintering regime, there is a weak dependence on SPS time. The optimum thermoelectric figure-of-merit (Z) of 2.93 × 10{sup −3}/K is achieved by SPS at 500 °C for 30 min. Our results will provide an insight on the optimization of SPS conditions for materials containing volatile elements with low eutectic temperature. - Highlights: • Spark plasma sintering (SPS) is used to synthesize the thermoelectric (Bi{sub 0.25}Sb{sub 0.75}){sub 2}Te{sub 3}. • Liquid phase and volatile element are a key for the microstructure and thermoelectric property. • Thermoelectric figure-of-merit of 2.9 × 10{sup −3}/K is achieved at 500 °C for 30 min.

  2. High-Pressure Synthesis, Structure, and Magnetic Properties of Ge-Substituted Filled Skutterudite Compounds; LnxCo4Sb12−yGey, Ln = La, Ce, Pr, and Nd

    Directory of Open Access Journals (Sweden)

    Hiroshi Fukuoka

    2017-12-01

    Full Text Available A series of new Ge-substituted skutterudite compounds with the general composition of LnxCo4Sb12−yGey, where Ln = La, Ce, Pr, and Nd, is prepared by high-pressure and high-temperature reactions at 7 GPa and 800 °C. They have a cubic unit cell and the lattice constant for each compound is 8.9504 (3, 8.94481 (6, 8.9458 (3, and 8.9509 (4 Å for the La, Ce, Pr, and Nd derivatives, respectively. Their chemical compositions, determined by electron prove microanalysis, are La0.57Co4Sb10.1Ge2.38, Ce0.99Co4Sb9.65Ge2.51, Pr0.97Co4Sb9.52Ge2.61, and Nd0.87Co4Sb9.94Ge2.28. Their structural parameters are refined by Rietveld analysis. The guest atom size does not affect the unit cell volume. The Co–Sb/Ge distance mainly determines the unit cell size as well as the size of guest atom site. The valence state of lanthanide ions is 3+.

  3. Study of 5f electron based filled skutterudite compound EuFe{sub 4}Sb{sub 12}, a thermoelectric (TE) material: FP-LAPW method

    Energy Technology Data Exchange (ETDEWEB)

    Shankar, A., E-mail: amitshan2009@gmail.com [Department of Physics, Mizoram University, Aizawl 796004 (India); Rai, D.P., E-mail: dibyaprakashrai@gmail.com [Beijing Computational Science Research Center, 3 Heqing Road, Beijing 100084 (China); Khenata, R. [Laboratoire de Physique Quantique et de Modlisation Mathmatique (LPQ3M), Dpartement de Technologie, Universit de Mascara, 29000 Mascara (Algeria); Maibam, J. [Department of Physics, Assam University, Silchar 788011 (India); Sandeep, E-mail: sndp.chettri@gmail.com [Department of Physics, Mizoram University, Aizawl 796004 (India); Thapa, R.K., E-mail: r.k.thapa@gmail.com [Department of Physics, Mizoram University, Aizawl 796004 (India)

    2015-01-15

    Highlights: • The compound EuFe{sub 4}Sb{sub 12} shows a semi-metallic behavior with pseudo gap. • The inherent dense band near E{sub F} facilitate the charge carriers. • The magnetic moment within LSDA and mBJ are underestimated. • The inclusion of onsite Coulomb repulsion (U) in LSDA has improved the result. • The results obtained from LSDA + U are consistent with the experimental data. - Abstract: We have studied the elastic, electronic and magnetic properties along with the thermoelectric properties of an undoped filled skutterudite EuFe{sub 4}Sb{sub 12} using full-potential linearized augmented plane wave (FP-LAPW) method. The LSDA, LSDA + U and a new exchange-correlation functional called modified Becke Johnson (mBJ) potential based on density functional theory (DFT) were used for studying material properties. The Eu-f and Fe-d are strongly correlated elements thus the inclusion of Coulomb repulsion (U) expected to give an exact ground state properties. The exchange-splitting of Eu-4f states were analyzed to explain the ferromagnetic behavior of EuFe{sub 4}Sb{sub 12} (half-metallic behavior). The numerical values of isotropic elastic parameters and related properties are estimated in the framework of the Voigt–Reuss–Hill approximation. The calculation of thermal transport properties at various temperature shows the high value of Seebeck coefficient and figure of merit (ZT) = 0.25 at room temperature in consistent to the experimental results.

  4. Measurement of the transport properties of (Sb2Te3)sub(0.75)(Bi2Te3)sub(0.25) solid solution with addition of Tl2Te3

    International Nuclear Information System (INIS)

    Sher, A.

    1983-03-01

    The thermoelectric parameters of the solid solution (Sb 3 Te 3 )sub(0.75)(Bi 2 Te 3 )sub(0.25) in the presence of a low concentration of Tl 3 Te 3 were examined. The electrical conductivity, thermal conductivity, Seebeck coefficient and Hall constant were measured on samples which represent the upper parts of the ingots, in the temperature range 10K-300K. The lattice thermal conductivity, carrier, mobility, effective mass and carrier concentration were calculated from the measured parameters. The variation of the carrier mobility with temperature was similar in all the measured samples. At temperatures higher than 80K the mobility was proportional to Tsup(-33/2). At lower temperatures the mobility approached a saturation value which decreased with increasing Tl 2 Te 3 concentration. At about room temperature, the mobility was already not proportional to Tsup(x). Increasing the Tl 2 Te 3 or Sb 2 Se 3 concentration resulted in a lower deviation from the Tsup(x) dependence and a slower increase in the lattice thermal conductivity with decreasing temperature. Addition of Tl 2 Te 3 to the solid solution resulted in minor improvement in the thermoelectric quality which depends on the mobility, effective mass and lattice thermal conductivity. The thermoelectric properties were nearly the same as those obtained by addition of Sb 2 Se 3 to the solid solution. The addition of Tl 2 Te 3 annuled an effect of increasing carrier concentration with decreasing temperature. It resulted in a slower decrease in the Seebeck coefficient. (H.K.)

  5. Thermoelectric property of fine-grained CoSb3 skutterudite compound fabricated by mechanical alloying and spark plasma sintering

    International Nuclear Information System (INIS)

    Liu Weishu; Zhang Boping; Li Jingfeng; Zhao Lidong

    2007-01-01

    Skutterudite CoSb 3 polycrystalline materials were prepared using a combined process of mechanical alloying (MA) and spark plasma sintering (SPS). The influence of SPS temperature on the thermoelectric properties was focused in this work with a special emphasis on the analysis of the size effects of grains. The average grain sizes decreased from 300 to 50 nm with decreasing SPS temperatures from 600 to 300 deg. C. The electrical resistivities of samples spark plasma sintered at 300-600 deg. C all decreased with increasing temperature, indicating a classic intrinsic conduction behaviour of semiconductors. The samples spark plasma sintered at 300-500 deg. C showed a positive Seebeck coefficient while the sample spark plasma sintered at 600 deg. C showed a negative Seebeck coefficient. The room-temperature thermal conductivities were reduced from 4.30 to 2.92 W m -1 K -1 as the grain sizes were decreased from 300 to 100 nm corresponding to SPS at 600 and 400 deg. C, respectively. The present work indicates that MA and SPS is a good combination for fabricating fine-grained CoSb 3 thermoelectric materials

  6. Role of defects on the electronic and magnetic properties of CrAs, CrSe and CrSb zinc-blende compounds

    International Nuclear Information System (INIS)

    Galanakis, I.; Pouliasis, S.G.

    2009-01-01

    We present an extended study of single impurity atoms and atomic swaps in half-metallic CrAs, CrSb and CrSe zinc-blende compounds. Although the perfect alloys present a rather large gap in the minority-spin band, all defects under study, with the exception of void impurities at Cr and sp sites and Cr impurities at sp sites (as long as no swap occurs), induce new states within the gap. The Fermi level can be pinned within these new minority states depending on the lattice constant used for the calculations and the electronegativity of the sp atoms. Although these impurity states are localized in space around the impurity atoms and very fast we regain the bulk behavior, their interaction can lead to wide bands within the gap and thus loss of the half-metallic character

  7. Spin reorientation transition and hard magnetic properties of MnBi intermetallic compound

    Science.gov (United States)

    Suzuki, K.; Wu, X.; Ly, V.; Shoji, T.; Kato, A.; Manabe, A.

    2012-04-01

    The effects of mechanical grinding (MG) on the crystallite size, the spin reorientation transition temperature (TSR) and the hard magnetic properties in melt-spun low temperature phase (LTP) MnBi have been investigated in order to understand the origin of magnetic hardening induced by MG. The room-temperature coercive field (μ0Hcj) is enhanced dramatically from 0.08 T before MG to 1.5 T after MG for 43.2 ks while TSR is concurrently suppressed from 110 to 38 K. The coercive force exhibits positive temperature dependence approximately 50-60 K above TSR and the lowered TSR after MG could result in magnetic hardening at room temperature. The room-temperature coercive force of LTP-MnBi is highly dependent on the crystallite size (D) and is found to be described phenomenologically by the following relationship: μ0Hcj = μ0Ha(δ/D)n, where μ0Ha is ˜ 4 T, the Bloch wall width δ is 7 nm, and the exponent n is approximately 0.7. Our results suggest that the grain refinement is the primary origin of the hardening effect induced by MG with a possible minor hardening effect due to the suppression of the spin reorientation transition temperature.

  8. Crystallographic features of the martensitic transformation and their impact on variant organization in the intermetallic compound Ni50Mn38Sb12 studied by SEM/EBSD.

    Science.gov (United States)

    Zhang, Chunyang; Zhang, Yudong; Esling, Claude; Zhao, Xiang; Zuo, Liang

    2017-09-01

    The mechanical and magnetic properties of Ni-Mn-Sb intermetallic compounds are closely related to the martensitic transformation and martensite variant organization. However, studies of these issues are very limited. Thus, a thorough crystallographic investigation of the martensitic transformation orientation relationship (OR), the transformation deformation and their impact on the variant organization of an Ni 50 Mn 38 Sb 12 alloy using scanning electron microscopy/electron backscatter diffraction (SEM/EBSD) was conducted in this work. It is shown that the martensite variants are hierarchically organized into plates, each possessing four distinct twin-related variants, and the plates into plate colonies, each containing four distinct plates delimited by compatible and incompatible plate interfaces. Such a characteristic organization is produced by the martensitic transformation. It is revealed that the transformation obeys the Pitsch relation ({0[Formula: see text]} A // {2[Formula: see text]} M and 〈0[Formula: see text]1〉 A // 〈[Formula: see text]2〉 M ; the subscripts A and M refer to austenite and martensite, respectively). The type I twinning plane K 1 of the intra-plate variants and the compatible plate interface plane correspond to the respective orientation relationship planes {0[Formula: see text]} A and {0[Formula: see text]} A of austenite. The three {0[Formula: see text]} A planes possessed by each pair of compatible plates, one corresponding to the compatible plate interface and the other two to the variants in the two plates, are interrelated by 60° and belong to a single 〈11[Formula: see text]〉 A axis zone. The {0[Formula: see text]} A planes representing the two pairs of compatible plates in each plate colony belong to two 〈11[Formula: see text]〉 A axis zones having one {0[Formula: see text]} A plane in common. This common plane defines the compatible plate interfaces of the two pairs of plates. The transformation strains to form the

  9. Magnetocaloric effect of Gd4(BixSb1-x)3 alloy series

    International Nuclear Information System (INIS)

    Niu, Xuejun

    1999-01-01

    Alloys from the Gd 4 (Bi x Sb 1-x ) 3 series were prepared by melting a stoichiometric amounts of pure metals in an induction furnace. The crystal structure is of the anti-Th 3 P 4 type (space group Ibar 43d) for all the compounds tested. The linear increase of the lattice parameters with Bi concentration is attributed to the larger atomic radius of Bi than that of Sb. Magnetic measurements show that the alloys order ferromagnetically from 266K to 330K, with the ordering temperature increasing with decreasing Bi concentration. The alloys are soft ferromagnets below their Curie temperatures, and follow the Curie-Weiss law above their ordering temperatures. The paramagnetic effective magnetic moments are low compared to the theoretical value for a free Gd 3+ , while the ordered magnetic moments are close to the theoretical value for Gd. The alloys exhibit a moderate magnetocaloric effect (MCE) whose maxima are located between 270K and 338K and have relatively wide peaks. The peak MCE temperature decreases with decreasing Bi concentration while the peak height increases with decreasing Bi concentration. The Curie temperatures determined from inflection points of heat capacity are in good agreement with those obtained from the magnetocaloric effect. The MCE results obtained from the two different methods (magnetization and heat capacity) agree quite well with each other for all of the alloys in the series

  10. Dirac cone and pseudogapped density of states in the topological half-Heusler compound YPtBi

    Science.gov (United States)

    Kronenberg, A.; Braun, J.; Minár, J.; Elmers, H.-J.; Kutnyakhov, D.; Zaporozhchenko, A. V.; Wallauer, R.; Chernov, S.; Medjanik, K.; Schönhense, G.; Kläui, M.; Chadov, S.; Ebert, H.; Jourdan, M.

    2016-10-01

    Topological insulators (TIs) are exciting materials, which exhibit unprecedented properties, such as helical spin-momentum locking, which leads to large torques for magnetic switching and highly efficient spin current detection. Here we explore the compound YPtBi, an example from the class of half-Heusler materials, for which the typical band inversion of topological insulators was predicted. We prepared this material as thin films by conventional cosputtering from elementary targets. By in situ time-of-flight momentum microscopy, a Dirac conelike surface state with a Dirac point ≃300 meV below the Fermi energy was observed, in agreement with electronic structure-photoemission calculations. Only little additional spectral weight due to other states was observed at EF, which corroborates the identification of the topologically protected surface state and is highly relevant for spintronics applications.

  11. As-free pnictide LaNi{sub 1-x}Sb{sub 2} thin films grown by reactive molecular beam epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Retzlaff, Reiner; Buckow, Alexander; Kurian, Jose; Alff, Lambert [Institute of Materials Science, Technische Universitaet Darmstadt, Petersenstr. 23, 64287 Darmstadt (Germany)

    2012-07-01

    We use reactive molecular beam epitaxy (RMBE) as synthesis technique for the search of arsenic free pnictide superconductors. Epitaxial thin films of LaNi{sub 1-x}Sb{sub 2} were grown on (100)MgO substrates from elemental sources by simultaneous evaporation of high purity La, Ni and Sb metals by e-gun. The LaNi{sub 1-x}Sb{sub 2} thin films grow epitaxially and are (00l) oriented with high crystalline quality, as evident from RHEED and X-Ray diffraction studies. The Ni deficient LaNi{sub 1-x}Sb{sub 2} thin films show metallic behavior with a room temperature resistivity of 110 {mu}{Omega} cm, while the stoichiometric compound is a semiconductor/insulator. The isostructural compound with Bi as pnictide shows a superconducting transition with a T{sub C}(0) of 3.1 K.

  12. Electrochemically deposited BiTe-based nano wires for thermoelectric applications

    International Nuclear Information System (INIS)

    Inn-Khuan, N.; Kuan-Ying, K.; Che Zuraini Che Abdul Rahman; Nur Ubaidah Saidin; Suhaila Hani Ilias; Thye-Foo, C.

    2013-01-01

    Full-text: Nano structured materials systems such as thin-films and nano wires (NWs) are promising for thermoelectric power generation and refrigeration compared to traditional counterparts in bulk, due to their enhanced thermoelectric figures-of-merit. BiTe and its derivative compounds, in particular, are well-known for their near-room temperature thermoelectric performance. In this work, both the binary and ternary BiTe-based nano wires namely, BiTe and BiSbTe, were synthesized using template-assisted electrodeposition. Diameters of the nano wires were controlled by the pore sizes of the anodised alumina (AAO) templates used. Systematic study on the compositional change as a function of applied potential was carried out via Linear Sweep Voltametry (LSV). Chemical compositions of the nano wires were studied using Energy Dispersive X-ray Spectrometry (EDXS) and their microstructures evaluated using diffraction and imaging techniques. Results from chemical analysis on the nano wires indicated that while the Sb content in BiSbTe nano wires increased with more negative deposition potentials, the formation of Te 0 and Bi 2 Te 3 were favorable at more positive potentials. (author)

  13. Some physical properties of GaX (X=P, As and Sb) semiconductor compounds using higher-order perturbation theory

    International Nuclear Information System (INIS)

    Jivani, A.R.; Trivedi, H.J.; Gajjar, P.N.; Jani, A.R.

    2005-01-01

    Recently proposed model potential for describing the electron-ion interaction is employed to calculate total energy, energy band gap at Jones-zone face at X, equation of state and bulk modulus of GaP, GaAs and GaSb compounds using higher-order perturbation theory. The covalent correction term corresponding to third- and fourth-order perturbation energy terms are used to take account of covalent bonding effect in such semiconductors. The significant value of the covalent bonding term shows the essentiality of higher-order correction for zincblende-type crystals. We have employed five different screening functions along with the latest screening function proposed by Sarkar et al. in the present work. The numerical results for the total energy, energy band gap at Jones-zone face and bulk modulus of these compounds are in good agreement with the experimental data and found better than other such theoretical findings. The pressure and bulk modulus at different volumes are obtained by using such higher-order perturbation theory with the application of our model potential. The pressure obtained by this method is compared with pressure obtained by equations proposed by Murnarghan and Vinet et al. The present study also shows that the incorporation of different screening functions generates distinct effects

  14. Ferroic properties in bi-component perovskites: artificial superlattices and naturally forming compounds

    International Nuclear Information System (INIS)

    Saha-Dasgupta, T

    2014-01-01

    The use of four different metal cations in a bi-component perovskite ABO 3 structure with 50 : 50 substitution at A sublattice as well as B sublattice, opens up the door for materials designing, with the aim to improve ferroic properties. This can be achieved following two different routes; one using the concept of artificially grown superlattices with alternating layers of ABO 3 and A′B′O 3 perovskites in a periodic set-up and another, through synthesis of naturally grown bulk double perovskites with ordered arrangement of A and A′ cations, simultaneously with that of B and B′ cations. The tremendous progress in layered deposition techniques as well as advances in solid state chemistry methods, has made both routes equally plausible and an area of much activity. This review summarizes some of the recent progress in this field, with a special emphasis on two computational studies, (i) one on ultra-thin 1–1 superlattices built out of paraelectric and ferroelectric components, showing tunable piezoelectric properties, and (ii) another on CrOs-based double perovskites which show multiferroic behavior, achieved through layered ordering of A and A′ cations. (topical review)

  15. High-resolution x-ray diffraction study of the heavy-fermion compound YbBiPt

    Science.gov (United States)

    Ueland, B. G.; Saunders, S. M.; Bud'Ko, S. L.; Schmiedeshoff, G. M.; Canfield, P. C.; Kreyssig, A.; Goldman, A. I.

    YbBiPt is a heavy-fermion compound possessing significant short-range antiferromagnetic correlations below T* = 0 . 7 K, fragile antiferromagnetic order below TN = 0 . 4 K, a Kondo temperature of TK ~ 1 K, and crystalline-electric-field splitting (CEF) on the order of E /kB = 1 - 10 K. Its lattice is face-centered cubic at ambient temperature, but certain data, particularly those from studies aimed at determining the CEF level scheme, suggest that the lattice distorts at lower temperature. Here, we present results from high-energy x-ray diffraction experiments which show that, within our experimental resolution of ~ 6 - 10 ×10-5 Å, no structural phase transition occurs between 1 . 5 and 50 K. Despite this result, we demonstrate that the compound's thermal expansion may be modeled using CEF level schemes appropriate for Yb3+ residing on a site with either cubic or less than cubic point symmetry. Work at the Ames Laboratory was supported by the US DOE, BES, DMSE, under Contract No. DE-AC02-07CH11358. Work at Occidental College was supported by the NSF under DMR-1408598. This research used resources at the Advanced Photon Source a US DOE, Office of Science, User Facility.

  16. The matrix effect study in the spectrographic analysis of rare earth elements. Pt. 1. The influence of Sn, Pb, Sb, Bi, Cu, Ag, Zn and Cd on the spectral lines intensity of Y, La, Ce, Pr, Nd and Sm in the current arc exciting between C-electrodes

    International Nuclear Information System (INIS)

    Wysocka-Lisek, J.; Paszkowska, B.; Mularczyk, K.

    1976-01-01

    In the beginning the influence of Sn, Pb, Sb, Bi, Cu, Ag, Zn and Cd on the light rare earth spectral lines using Ni as the internal standard, during the intermittent current arc excitation between C-electrodes was studied. On the basis of the spectral lines intensity measurements, it was stated that one may apply the addition of Ni as the internal standard by the quantitative determination of Sn, Pb, Sb, Bi, Zn and Cd in the light rare earth mixtures with one of the above. Also a great influence of the presence of the individually studied metal was observed on the spectral line intensity of rare earth elements and nickel. The differences of the thermo-chemical reactions nature between excited elements and the carbon of the electrodes may cause that influence. (author)

  17. Bi2O3–CuO–P2O5 system: Two novel compounds built from the intergrowths oxocentered polycationic 1D-ribbons

    International Nuclear Information System (INIS)

    Colmont, Marie; Endara, Diana; Aliev, Almaz; Terryn, Christine; Huvé, Marielle; Mentré, Olivier

    2013-01-01

    Single crystals of two novel bismuth copper oxyphosphates were grown from a unique melt. They have been structurally characterized by means of single crystal X-Ray Diffraction (XRD). Bi 29.4 Cu 9.29 O 32 (PO 4 ) 16 Cu 2.63 (1) is orthorhombic, space group Pca2 1 , a=33.0549(2)A, b=11.6991(4)A and c=5.2902(2)A, R 1 =0.059 and wR 2 =0.061. Bi 37.2 Cu 18.8 O 44 (PO 4 ) 24 Cu 5 (2) is orthorhombic, space group Pna2 1 , a=11.6010(3)A, b=47.4384(5)A and c=5.267(2)A, R 1 =0.0940 and wR 2 =0.0981. Both compounds are formed of similar 1D building units (BUs) organized into two different 3D regular intergrowths mediated by phosphate groups. Here, the so-called 1D-BUs are infinite ribbons formed by edge-sharing O(Bi,M) 4 tetrahedra with n=4 and n=3 tetrahedra-wide units. Both compounds were analyzed from the viewpoint of their relationship with the parent δ-Bi 2 O 3 fluorite-like structure, where phosphorus atoms substitutes for some Bi sites. A non-exhaustive review of the related structural types is given. We have checked by second harmonic generacy (SHG) microscopy that the two non-centrosymmetric structures (despite polar subunits) lead to SHG before the samples are irreversibly damaged. - Graphical abstract: This paper reports the crystal structure of two new bismuth oxophosphate compounds. Both are built on the association of n=3 and 4 building unit ribbons surrounded by isolated PO4 tetrahedra and tunnels hosting Cu 2+ cations. They come in addition to the numerous Bi-based compounds already pointed out. Once more, this is the proof of the richness of this crystal system. - Highlights: • Two new bismuth oxophosphates were synthesized. • Crystal structure were solved thanks to single crystal X-Ray diffraction. • They show two different associations of n=3 and 4 ribbons built on [O,(Bi,M) 4 ] tetrahedral sharing edges and surrounded by isolated PO4 groups. • SHG microscopy confirm the NCS character of both compounds. • The family of bismuth oxophosphate

  18. State diagram of Pr-Bi system

    International Nuclear Information System (INIS)

    Abulkhaev, V.L.; Ganiev, I.N.

    1994-01-01

    By means of thermal differential analysis, X-ray and microstructural analysis the state diagram of Pr-Bi system was studied. Following intermetallic compounds were defined in the system: Pr 2 Bi, Pr 5 Bi 3 , Pr 4 Bi 3 , Pr Bi, PrBi 2 , Pr 2 Bi, Pr 5 Bi 3 , Pr 4 Bi 3 and PrBi 2 . The data analysis on Ln-Bi diagram allowed to determine the regularity of change of properties of intermetallic compounds in the line of rare earth elements of cerium subgroup.

  19. Vapor Phase Growth of High-Quality Bi-Te Compounds Using Elemental Bi and Te Sources: A Comparison Between High Vacuum and Atmospheric Pressure

    Science.gov (United States)

    Concepción, O.; Escobosa, A.; de Melo, O.

    2018-03-01

    Bismuth telluride (Bi2Te3), traditionally used in the industry as thermoelectric material, has deserved much attention recently due to its properties as a topological insulator, a kind of material that might have relevant applications in spintronics or quantum computing, among other innovative uses. The preparation of high-quality material has become a very important technological task. Here, we compare the preparation of Bi2Te3 by physical vapor transport from the evaporation of elemental Bi and Te sources, under either low pressure or atmospheric pressure. The layers were characterized by different techniques to evaluate its structural properties. As a result, it is concluded that, as a consequence of the different transport regimes, films grown at atmospheric pressure present better crystal quality.

  20. Molecular beam epitaxial growth of Bi{sub 2}Te{sub 3} and Sb{sub 2}Te{sub 3} topological insulators on GaAs (111) substrates: a potential route to fabricate topological insulator p-n junction

    Energy Technology Data Exchange (ETDEWEB)

    Zeng, Zhaoquan; Morgan, Timothy A.; Li, Chen; Hirono, Yusuke; Hu, Xian; Hawkridge, Michael E.; Benamara, Mourad; Salamo, Gregory J. [Arkansas Institute for Nanoscale Material Sciences and Engineering, University of Arkansas, Fayetteville, AR 72701 (United States); Fan, Dongsheng; Yu, Shuiqing [Arkansas Institute for Nanoscale Material Sciences and Engineering, University of Arkansas, Fayetteville, AR 72701 (United States); Department of Electrical Engineering, University of Arkansas, Fayetteville, AR 72701 (United States); Zhao, Yanfei [International Center for Quantum Materials, School of Physics, Peking University, Beijing, 100871 (China); Lee, Joon Sue [The Center for Nanoscale Science and Department of Physics, The Pennsylvania State University, University Park, PA 16802 (United States); Wang, Jian [International Center for Quantum Materials, School of Physics, Peking University, Beijing, 100871 (China); The Center for Nanoscale Science and Department of Physics, The Pennsylvania State University, University Park, PA 16802 (United States); Wang, Zhiming M. [Arkansas Institute for Nanoscale Material Sciences and Engineering, University of Arkansas, Fayetteville, AR 72701 (United States); State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China); Engineering Research Center for Semiconductor Integrated Technology, Institute of Semiconductors, Chinese Academy of Science, Beijing 100083 (China)

    2013-07-15

    High quality Bi{sub 2}Te{sub 3} and Sb{sub 2}Te{sub 3} topological insulators films were epitaxially grown on GaAs (111) substrate using solid source molecular beam epitaxy. Their growth and behavior on both vicinal and non-vicinal GaAs (111) substrates were investigated by reflection high-energy electron diffraction, atomic force microscopy, X-ray diffraction, and high resolution transmission electron microscopy. It is found that non-vicinal GaAs (111) substrate is better than a vicinal substrate to provide high quality Bi{sub 2}Te{sub 3} and Sb{sub 2}Te{sub 3} films. Hall and magnetoresistance measurements indicate that p type Sb{sub 2}Te{sub 3} and n type Bi{sub 2}Te{sub 3} topological insulator films can be directly grown on a GaAs (111) substrate, which may pave a way to fabricate topological insulator p-n junction on the same substrate, compatible with the fabrication process of present semiconductor optoelectronic devices.

  1. Quantum criticality in He3 bi-layers and heavy fermion compounds

    International Nuclear Information System (INIS)

    Benlagra, A.

    2009-11-01

    Despite intense experimental as well as theoretical efforts the understanding of physical phenomena peculiar to heavy fermion compounds remains one of the major problems in condensed matter physics; this research thesis considers the recently proposed theoretical approaches to describe the critical regime properties. This approach is based on the following idea: critical modes which are responsible for this regime are non-magnetic and are associated to the destruction of the Kondo effect between localized magnetic impurities and travelling conduction electrons at the quantum critical point. The author derives an analytic expression for the free energy within this model by using the Luttinger-Ward functional approach within the frame of the Eliashberg theory. The obtained expressions are transparently including the effect of critical fluctuations, integrated in a self-coherent way. The behaviour of different thermodynamic quantities is then deduced from these expressions. The result is compared with recent experiments on heavy fermion compounds as well as on a Helium-3 bilayer system adsorbed on graphite substrate in order to test the validity of such a model. Strengths and drawbacks of the model are outlined

  2. Progress report on neutron beam experiments in Thailand: effects of antimony substitutions on the critical temperature of Bi-Pb-Sr-Ca-Cu-O compounds

    Energy Technology Data Exchange (ETDEWEB)

    Sangariyavanich, A; Ampornrat, P [Office of Atomic Energy for Peace, Bangkok (Thailand)

    1998-10-01

    Effects of systematic substitutions of antimony for bismuth in Bi{sub 1.8-x}Pb{sub 0.2}Sb{sub x}Sr{sub 2}Ca{sub 3}Cu{sub 4}O{sub 10} have been investigated. Fabrication of the specimens has been performed by solid state reaction in air. The samples were sintered between 820degC - 843degC for 65 hours and subsequently quenched in liquid nitrogen. The critical temperatures of most specimens as determined by standard four-probe technique was higher than 100 K. Phase identification by X-ray diffraction technique indicated that `2223` and `2234` were the predominant phases in these samples. (author)

  3. As, Bi, Hg, S, Sb, Sn and Te geochemistry of the J-M Reef, Stillwater Complex, Montana: constraints on the origin of PGE-enriched sulfides in layered intrusions

    Science.gov (United States)

    Zientek, M.L.; Fries, T.L.; Vian, R.W.

    1990-01-01

    The J-M Reef is an interval of disseminated sulfides in the Lower Banded series of the Stillwater Complex that is enriched in the platinum group elements (PGE). Palladium and Pt occur in solid solution in base-metal sulfides and as discrete PGE minerals. PGE minerals include sulfides, tellurides, arsenides, antimonides, bismuthides, and alloys with Fe, Sn, Hg, and Au. Several subpopulations can be delineated based on whole-rock chemical analyses for As, Bi, Cu, Hg, Pd, Pt, S, Sb and Te for samples collected from and adjacent to the J-M Reef. In general, samples from within the reef have higher Pt/Cu, Pd/Cu, Pd/Pt, Te/Bi and S/(Te+Bi) than those collected adjacent to the reef. Vertical compositional profiles through the reef suggest that Pd/Cu and Pt/Cu decrease systematically upsection from mineralized to barren rock. The majority of samples with elevated As, Sb and Hg occur adjacent to the reef, not within it, or in sulfide-poor rocks. Neither magma mixing nor fluid migration models readily explain why the minor quantities of sulfide minerals immediately adjacent to the sulfide-enriched layers that form the J-M Reef have different element ratios than the sulfide minerals that form the reef. If all the sulfides formed by exsolution during a magma mixing event and the modal proportion of sulfide now in the rocks are simply the result of mechanical processes that concentrated the sulfides into some layers and not others, then the composition of the sulfide would not be expected to be different. Models that rely upon ascending liquids or fluids are incompatible with the presence of sulfides that are not enriched in PGE immediately below or interlayered with the PGE-enriched sulfides layers. PGE-enriched postcumulus fluids should have reacted to the same extent with sulfides immediately outside the reef as within the reef. One explanation is that some of the sulfide minerals in the rocks outside the reef have a different origin than those that make up the reef. The

  4. A new solid solution compound with the Sr{sub 21}Mn{sub 4}Sb{sub 18} structure type. Sr{sub 13}Eu{sub 8}Cd{sub 3}Mn{sub 1}Sb{sub 18}

    Energy Technology Data Exchange (ETDEWEB)

    Kunz Wille, Elizabeth L.; Cooley, Joya A.; Fettinger, James C.; Kazem, Nasrin; Kauzlarich, Susan M. [California Univ., Davis, CA (United States). Dept. of Chemistry

    2017-09-01

    The title compound with the nominal formula, Sr{sub 13}Eu{sub 8}Cd{sub 3}Mn{sub 1}Sb{sub 18}, was synthesized by Sn-flux. Structure refinement was based on single-crystal X-ray diffractometer data. Employing the exact composition, the formula is Sr{sub 13.23}Eu{sub 7.77}Cd{sub 3.12}Mn{sub 0.88}Sb{sub 18} for the solid solution Sr{sub 21-x}Eu{sub x}Cd{sub 4-y}Mn{sub y}Sb{sub 18}. This phase adopts the Sr{sub 21}Mn{sub 4}Sb{sub 18} type structure with site preferences for both Eu and Cd. The structure crystallizes in the monoclinic system in space group C2/m and Z=4: a=18.1522(11), b=17.3096(10), c=17.7691(10) Aa, β=91.9638(8) , 6632 F{sup 2} values, 216 variables, R1=0.0254 and wR2=0.0563. Site selectivity of the elements in this new compound will be discussed in relationship with the Sr{sub 21}Mn{sub 4}Sb{sub 18} type structure and other related structure types. Temperature dependent magnetic susceptibility data reveal Curie-Weiss paramagnetism with an experimental moment of 19.3 μ{sub B}/f.u. and a Weiss constant of 0.4 K. Magnetic ordering is seen at low temperatures, with a transition temperature of 3.5 K.

  5. Growth of GaSb1-xBix by molecular beam epitaxy

    DEFF Research Database (Denmark)

    Song, Yuxin; Wang, Shumin; Roy, Ivy Saha

    2012-01-01

    Molecular beam epitaxy for GaSb1-xBix is investigated in this article. The growth window for incorporation of Bi in GaSb was found. Strategies of avoiding formation of Bi droplets and enhancing Bi incorporation were studied. The Bi incorporation was confirmed by SIMS and RBS measurements. The Bi ......As substrates were compared and no apparent difference for Bi incorporation was found.......Molecular beam epitaxy for GaSb1-xBix is investigated in this article. The growth window for incorporation of Bi in GaSb was found. Strategies of avoiding formation of Bi droplets and enhancing Bi incorporation were studied. The Bi incorporation was confirmed by SIMS and RBS measurements. The Bi...... concentration in the samples was found to increase with increasing growth temperature and Bi flux. The position of GaSb1-xBix layer peak in XRD rocking curves is found to be correlated to Bi composition. Surface and structural properties of the samples were also investigated. Samples grown on GaSb and Ga...

  6. Study on anisotropy of n-type Mg3Sb2-based thermoelectric materials

    Science.gov (United States)

    Song, Shaowei; Mao, Jun; Shuai, Jing; Zhu, Hangtian; Ren, Zhensong; Saparamadu, Udara; Tang, Zhongjia; Wang, Bo; Ren, Zhifeng

    2018-02-01

    The recent discovery of a high thermoelectric figure of merit (ZT) in an n-type Mg3Sb2-based Zintl phase triggered an intense research effort to pursue even higher ZT. Based on our previous report on Mg3.1Nb0.1Sb1.5Bi0.49Te0.01, we report here that partial texturing in the (001) plane is achieved by double hot pressing, which is further confirmed by the rocking curves of the (002) plane. The textured samples of Mg3.1Nb0.1Sb1.5Bi0.49Te0.01 show a much better average performance in the (00l) plane. Hall mobility is significantly improved to ˜105 cm2 V-1 s-1 at room temperature in the (00l) plane due to texturing, resulting in higher electrical conductivity, a higher power factor of ˜18 μW cm-1 K-2 at room temperature, and also higher average ZT. This work shows that texturing is good for higher thermoelectric performance, suggesting that single crystals of n-type Mg3Sb2-based Zintl compounds are worth pursuing.

  7. High quality InAsSb grown on InP substrates using AlSb/AlAsSb buffer layers

    International Nuclear Information System (INIS)

    Wu, B.-R.; Liao, C.; Cheng, K. Y.

    2008-01-01

    High quality InAsSb grown on semi-insulating InP substrates by molecular beam epitaxy was achieved using AlSb/AlAsSb structure as the buffer layer. A 1000 A InAsSb layer grown on top of 1 μm AlSb/AlAsSb buffer layer showed a room temperature electron mobility of ∼12 000 cm 2 /V s. High structural quality and low misfit defect density were also demonstrated in the InAsSb layer. This novel AlSb/AlAsSb buffer layer structure with the AlAsSb layer lattice matched to InP substrates could enhance the performance of optoelectronic devices utilizing 6.1 A family of compound semiconductor alloys

  8. Study of A-site doping of SrBi4Ti4O15 Bi-layered compounds using micro-Raman spectroscopy

    International Nuclear Information System (INIS)

    Hao, H.; Liu, H.X.; Cao, M.H.; Min, X.M.; Ouyang, S.X.

    2006-01-01

    The temperature-dependent Raman spectra of Mg- and La-doped SrBi 4 Ti 4 O 15 (SBT) were studied in the range 40-590 C. A quantum chemistry calculation was employed to estimate these two substitution states. It was found that A-site doping in this study not only caused multiplicative substitution states, but also the Raman spectra changed with the substitution amount. In a La-doped perovskite-like layer, La would occupy the Bi site when x>0.10 and the 314 and 550 cm -1 modes related to the rotating and tilting of the TiO 6 octahedron firstly became wide and then became sharp. With the increase of the substitution amount, both substitution states of Mg-doped SBT lead to the widening of 270 and 520 cm -1 peaks. (orig.)

  9. Study of A-site doping of SrBi4Ti4O15 Bi-layered compounds using micro-Raman spectroscopy

    Science.gov (United States)

    Hao, H.; Liu, H. X.; Cao, M. H.; Min, X. M.; Ouyang, S. X.

    2006-10-01

    The temperature-dependent Raman spectra of Mg- and La-doped SrBi4Ti4O15 (SBT) were studied in the range 40 590 °C. A quantum chemistry calculation was employed to estimate these two substitution states. It was found that A-site doping in this study not only caused multiplicative substitution states, but also the Raman spectra changed with the substitution amount. In a La-doped perovskite-like layer, La would occupy the Bi site when x>0.10 and the 314 and 550 cm-1 modes related to the rotating and tilting of the TiO6 octahedron firstly became wide and then became sharp. With the increase of the substitution amount, both substitution states of Mg-doped SBT lead to the widening of 270 and 520 cm-1 peaks.

  10. High figure of merit and thermoelectric properties of Bi-doped Mg2Si0.4Sn0.6 solid solutions

    International Nuclear Information System (INIS)

    Liu, Wei; Zhang, Qiang; Yin, Kang; Chi, Hang; Zhou, Xiaoyuan; Tang, Xinfeng; Uher, Ctirad

    2013-01-01

    The study of Mg 2 Si 1−x Sn x -based thermoelectric materials has received widespread attention due to a potentially high thermoelectric performance, abundant raw materials, relatively low cost of modules, and non-toxic character of compounds. In this research, Mg 2.16 (Si 0.4 Sn 0.6 ) 1−y Bi y solid solutions with the nominal Bi content of 0≤y≤0.03 are prepared using a two-step solid state reaction followed by spark plasma sintering consolidation. Within this range of Bi concentrations, no evidence of second phase segregation was found. Bi is confirmed to occupy the Si/Sn sites in the crystal lattice and behaves as an efficient n-type dopant in Mg 2 Si 0.4 Sn 0.6 . Similar to the effect of Sb, Bi doping greatly increases the electron density and the power factor, and reduces the lattice thermal conductivity of Mg 2.16 Si 0.4 Sn 0.6 solid solutions. Overall, the thermoelectric figure of merit of Bi-doped Mg 2.16 Si 0.4 Sn 0.6 solid solutions is improved by about 10% in comparison to values obtained with Sb-doped materials of comparable dopant content. This improvement comes chiefly from a marginally higher Seebeck coefficient of Bi-doped solid solutions. The highest ZT∼1.4 is achieved for the y=0.03 composition at 800 K. - Graphical abstract: (a)The relationship between electrical conductivity and power factor for Sb/Bi-doped Mg 2.16 (Si 0.4 Sn 0.6 ) 1−y (Sb/Bi) y (0 2.16 (Si 0.4 Sn 0.6 ) 1−y Bi y (0≤y≤0.03) solid solutions. (c)Temperature dependent dimensionless figure of merit ZT of Mg 2.16 (Si 0.4 Sn 0.6 ) 1−y Bi y (0≤y≤0.03) solid solutions. - Highlights: • Bi doped Mg 2.16 Si 0.4 Sn 0.6 showed 15% enhancement in the power factor as compared to Sb doped samples. • Bi doping reduced κ ph of Mg 2.16 Si 0.4 Sn 0.6 due to stronger point defect scattering. • The highest ZT=1.4 at 800 K was achieved for Mg 2.16 (Si 0.4 Sn 0.6 ) 0.97 Bi 0.03

  11. Density functional simulations of Sb-rich GeSbTe phase change alloys

    International Nuclear Information System (INIS)

    Gabardi, S; Bernasconi, M; Caravati, S; Parrinello, M

    2012-01-01

    We generated models of the amorphous phase of Sb-rich GeSbTe phase change alloys by quenching from the melt within density functional molecular dynamics. We considered the two compositions Ge 1 Sb 1 Te 1 and Ge 2 Sb 4 Te 5 . Comparison with previous results on the most studied Ge 2 Sb 2 Te 5 allowed us to draw some conclusions on the dependence of the structural properties of the amorphous phase on the alloy composition. Vibrational and electronic properties were also scrutinized. Phonons at high frequencies above 200 cm -1 are localized in tetrahedra around Ge atoms in Sb-rich compounds as well as in Ge 2 Sb 2 Te 5 . All compounds are semiconducting in the amorphous phase, with a band gap in the range 0.7-1.0 eV.

  12. Density functional simulations of Sb-rich GeSbTe phase change alloys

    Science.gov (United States)

    Gabardi, S.; Caravati, S.; Bernasconi, M.; Parrinello, M.

    2012-09-01

    We generated models of the amorphous phase of Sb-rich GeSbTe phase change alloys by quenching from the melt within density functional molecular dynamics. We considered the two compositions Ge1Sb1Te1 and Ge2Sb4Te5. Comparison with previous results on the most studied Ge2Sb2Te5 allowed us to draw some conclusions on the dependence of the structural properties of the amorphous phase on the alloy composition. Vibrational and electronic properties were also scrutinized. Phonons at high frequencies above 200 cm-1 are localized in tetrahedra around Ge atoms in Sb-rich compounds as well as in Ge2Sb2Te5. All compounds are semiconducting in the amorphous phase, with a band gap in the range 0.7-1.0 eV.

  13. Imaging Dirac-mass disorder from magnetic dopant atoms in the ferromagnetic topological insulator Crx(Bi0.1Sb0.9)2-xTe3.

    Science.gov (United States)

    Lee, Inhee; Kim, Chung Koo; Lee, Jinho; Billinge, Simon J L; Zhong, Ruidan; Schneeloch, John A; Liu, Tiansheng; Valla, Tonica; Tranquada, John M; Gu, Genda; Davis, J C Séamus

    2015-02-03

    To achieve and use the most exotic electronic phenomena predicted for the surface states of 3D topological insulators (TIs), it is necessary to open a "Dirac-mass gap" in their spectrum by breaking time-reversal symmetry. Use of magnetic dopant atoms to generate a ferromagnetic state is the most widely applied approach. However, it is unknown how the spatial arrangements of the magnetic dopant atoms influence the Dirac-mass gap at the atomic scale or, conversely, whether the ferromagnetic interactions between dopant atoms are influenced by the topological surface states. Here we image the locations of the magnetic (Cr) dopant atoms in the ferromagnetic TI Cr0.08(Bi0.1Sb0.9)1.92Te3. Simultaneous visualization of the Dirac-mass gap Δ(r) reveals its intense disorder, which we demonstrate is directly related to fluctuations in n(r), the Cr atom areal density in the termination layer. We find the relationship of surface-state Fermi wavevectors to the anisotropic structure of Δ(r) not inconsistent with predictions for surface ferromagnetism mediated by those states. Moreover, despite the intense Dirac-mass disorder, the anticipated relationship [Formula: see text] is confirmed throughout and exhibits an electron-dopant interaction energy J* = 145 meV·nm(2). These observations reveal how magnetic dopant atoms actually generate the TI mass gap locally and that, to achieve the novel physics expected of time-reversal symmetry breaking TI materials, control of the resulting Dirac-mass gap disorder will be essential.

  14. Growth of InTlSB and InTlP for Long Wavelength Infrared Detector Applications

    National Research Council Canada - National Science Library

    Razeghi, M

    1998-01-01

    .... Other novel alloys such as InAsSb and InSbBi are also investigated. The structural, optical, and electrical properties of these novel materials have been investigated in detail with various ex-situ characterization techniques...

  15. Zr3NiSb7: a new antimony-enriched ZrSb2 derivative

    Directory of Open Access Journals (Sweden)

    V. Romaka

    2008-08-01

    Full Text Available Single crystals of trizirconium nickel heptaantimonide were synthesized from the constituent elements by arc-melting. The compound crystallizes in a unique structure type and belongs to the family of two-layer structures. All crystallographically unique atoms (3 × Zr, 1 × Ni and 7 × Sb are located at sites with m symmetry. The structure contains `Zr2Ni2Sb5' and `Zr4Sb9' fragments and might be described as a new ZrSb2 derivative with a high Sb content.

  16. Structure, microstructure and microhardness of rapidly solidified Smy(FexNi1-x)4Sb12 (x = 0.45, 0.50, 0.70, 1) thermoelectric compounds

    Science.gov (United States)

    Artini, C.; Castellero, A.; Baricco, M.; Buscaglia, M. T.; Carlini, R.

    2018-05-01

    Skutterudites are interesting compounds for thermoelectric applications. The main drawback in the synthesis of skutterudites by solidification of the melt is the occurrence of two peritectic reactions requiring long annealing times to form a single phase. Aim of this work is to investigate an alternative route for synthesis, based on rapid solidification by planar flow casting. The effect of cooling rate on phases formation and composition, as well as on structure, microstructure and mechanical properties of the filled Smy(FexNi1-x)4Sb12 (x = 0.45, 0.50, 0.70, 1) skutterudites was studied. Conversely to slowly cooled ingots, rapidly quenched ribbons show skutterudite as the main phase, suggesting that deep undercooling of the liquid prevents the nucleation of high temperature phases, such as (Fe,Ni)Sb and (Fe,Ni)Sb2. In as-quenched samples, a slightly out of equilibrium Sm content is revealed, which does not alter the position of the p/n boundary; nevertheless, it exerts an influence on crystallographic properties, such as the cell parameter and the shape of the Sb4 rings in the structure. As-quenched ribbons show a fine microstructure of the skutterudite phase (grain size of 2-20 μm), which only moderately coarsens after annealing at 873 K for 4 days. Vickers microhardness values (350-400 HV) of the skutterudite phase in as-quenched ribbons are affected by the presence of softer phases (i.e. Sb), which are homogeneously and finely dispersed within the sample. The skutterudite hardens after annealing as a consequence of a moderate grain growth, which limits the matrix effect due to the presence of additional phases.

  17. Structural, elastic, electronic and optical properties of bi-alkali ...

    Indian Academy of Sciences (India)

    The structural parameters, elastic constants, electronic and optical properties of the bi-alkali ... and efficient method for the calculation of the ground-state ... Figure 2. Optimization curve (E–V) of the bi-alkali antimonides: (a) Na2KSb, (b) Na2RbSb, (c) Na2CsSb, .... ical shape of the charge distributions in the contour plots.

  18. Properties and Microstructures of Sn-Bi-X Lead-Free Solders

    Directory of Open Access Journals (Sweden)

    Fan Yang

    2016-01-01

    Full Text Available The Sn-Bi base lead-free solders are proposed as one of the most popular alloys due to the low melting temperature (eutectic point: 139°C and low cost. However, they are not widely used because of the lower wettability, fatigue resistance, and elongation compared to traditional Sn-Pb solders. So the alloying is considered as an effective way to improve the properties of Sn-Bi solders with the addition of elements (Al, Cu, Zn, Ga, Ag, In, Sb, and rare earth and nanoparticles. In this paper, the development of Sn-Bi lead-free solders bearing elements and nanoparticles was reviewed. The variation of wettability, melting characteristic, electromigration, mechanical properties, microstructures, intermetallic compounds reaction, and creep behaviors was analyzed systematically, which can provide a reference for investigation of Sn-Bi base solders.

  19. Relationship between tolerance factor and temperature coefficient of permittivity of temperature-stable high permittivity BaTiO3–Bi(MeO3 compounds

    Directory of Open Access Journals (Sweden)

    Natthaphon Raengthon

    2016-03-01

    Full Text Available The temperature coefficient of permittivity (TCε of BaTiO3–Bi(MeO3 solid solutions were investigated. It was determined that as the tolerance factor was decreased with the addition of Bi(MeO3, the TCε shifted from large negative values to TCε values approaching zero. It is proposed that the different bonding nature of the dopant cation affects the magnitude and temperature stability of the permittivity. This study suggests that the relationship between tolerance factor and TCε can be used as a guide to design new dielectric compounds exhibiting temperature-stable high permittivity characteristics, which is similar to past research on perovskite and pyrochlore-based microwave dielectrics.

  20. Bismuth chalcogenide compounds Bi 2 × 3 (X=O, S, Se): Applications in electrochemical energy storage

    Energy Technology Data Exchange (ETDEWEB)

    Ni, Jiangfeng; Bi, Xuanxuan; Jiang, Yu; Li, Liang; Lu, Jun

    2017-04-01

    Bismuth chalcogenides Bi2×3 (X=O, S, Se) represent a unique type of materials in diverse polymorphs and configurations. Multiple intrinsic features of Bi2×3 such as narrow bandgap, ion conductivity, and environmental friendliness, have render them attractive materials for a wide array of energy applications. In particular, their rich structural voids and the alloying capability of Bi enable the chalcogenides to be alternative electrodes for energy storage such as hydrogen (H), lithium (Li), sodium (Na) storage and supercapacitors. However, the low conductivity and poor electrochemical cycling are two key challenges for the practical utilization of Bi2×3 electrodes. Great efforts have been devoted to mitigate these challenges and remarkable progresses have been achieved, mainly taking profit of nanotechnology and material compositing engineering. In this short review, we summarize state-of-the-art research advances in the rational design of diverse Bi2×3 electrodes and their electrochemical energy storage performance for H, Li, and Na and supercapacitors. We also highlight the key technical issues at present and provide insights for the future development of bismuth based materials in electrochemical energy storage devices.

  1. High Pressure X-Ray Diffraction Studies of Bi2-xSbxTe3 (x = 0,1,2)

    Science.gov (United States)

    Jacobsen, M. K.; Kumar, R. S.; Cornelius, A. L.; Sinogeiken, S. V.; Nico, M. F.

    2007-12-01

    Recently, pressure tuning of the thermoelectric figure of merit has been reported for several materials Bi2Te3 based thermoelectric materials [2],[10],[12]. In order to investigate the bulk properties of Bi2Te3, Sb2Te3, and their solid solution in detail, we have performed structural studies up to 20 GPa. Our diffraction results show that all three compounds transform from the ambient pressure structure to a high pressure phase between 7 and 10 GPa. In addition, these diffraction results have been converted to Vinet and Holzapfel equations of state to test the claim of electronic topological transitions in these structures [3].

  2. The effect of replacing pnictogen elements on the physical properties SrMg2 {{\\boldsymbol{X}}}_{2} ({\\boldsymbol{X}}=N, P, As, Sb, Bi) Zintl compounds

    Science.gov (United States)

    Murtaza, G.; Ahad Khan, Abdul; Yaseen, M.; Laref, A.; Ullah, Naeem; Rahman, Inayat ur

    2018-04-01

    Not Available Project supported by a grant from the “Research Center of Female Scientific and Medical Colleges”, the Deanship of Scientific Research, King Saud University. Yaseen M is thankful to Higher Education Commission (HEC), Pakistan for funding (Grant No. 6410/Punjab/NRPU/R&D/HEC/2016), and also this study is made possible by the support of the United States Government and the American people through the United States Agency for International Development (USAID). The contents are the sole responsibility of National University of Sciences and Technology and do not necessarily reflect the views of USAID or the United States Government.

  3. Spectral responses in near-infrared of the mixed compounds III-V ternary and quaternary, based on GaSb

    Science.gov (United States)

    Mbow, B.; Rezzoug, N.; Peremarti, C.; Mezerreg, A.; Llinares, C.

    1993-09-01

    From the simulation of the spectral response of the different photodetector devices elaborated in our laboratory (C.E.M.), we determine the influence of geometrical and physical parameters in order to achieve the best photodetector operating at the wavelength 2.55 μm. In this paper we present: Gao{0.6}In{0.4}Sbn/Ga{0.6}In{0.4}Sbp homojunctions matched on GaSbp substrate, Ga{0.75}In{0.25}As{0.23}Sbp/GaSbn ternary heterojunction and GaSbp/Ga{0.74}In{0.26}As{0.23}Sb0.77p/GaSbn quaternary heterojunction. The GaSbp layer with an energy band gap greater than Ga{0.74}In{0.26}As{0.23}Sb0.77p optical gap will act as a window, reducing the effect of surface recombinaison. Results of the simulation are compared to experimental curves to determine the values of photoelectrical parameters (diffusion length, recombination velocity at the surface ...). Les mesures de réponse spectrale dans la gamme [0,4 eV à 2 eV] ont été effectuées sur des homojonctions, Ga{0,6}In{0,4}Sbn/Ga{0,6}In{0,4}Sbp déposées sur un substrat de GaSb et des hétérostructures ternaires Ga{0,75}In{0,25}Sbp/GaSbn et quaternaires GaSbp/Ga{0,74}In{0,26}As{0,23}Sb0,77p/GaSbn. La couche de GaSbp avec un gap plus grand que celui de Ga{0,74}In{0,26}As{0,23}Sb0,77p joue le rôle d'effet fenêtre. En s'appuyant sur les résultats de la simulation et en accordant les spectres expérimentaux aux spectres théoriques, on détermine les valeurs des paramètres photoélectriques (longueurs de diffusion, les vitesses de recombinaison en surface ... ) intervenant dans le rendement quantique.

  4. Structural and Electronic Features of Sb-Based Electrode Materials: 121Sb Moessbauer Spectrometry

    International Nuclear Information System (INIS)

    Ionica, C. M.; Aldon, L.; Lippens, P. E.; Morato, F.; Olivier-Fourcade, J.; Jumas, J.-C.

    2004-01-01

    Lithium insertion mechanisms in two antimony based compounds: CoSb 3 and CoSb have been studied by means of 121 Sb Moessbauer spectrometry. Structural and electronic modifications induced by insertion of lithium have been characterised for different depths of discharge. In all cases the insertion mechanisms can be described from several steps. In the first step antimony is partially dispersed in the metallic matrix with amorphisation of the electrode material and in a second step we can observe the alloy forming (Li 3 Sb). However this amorphous alloy remains in interaction with the matrix allowing then a good reversibility.

  5. Tetrahedral 1B4Sb nanoclusters in GaP:(B, Sb)

    Energy Technology Data Exchange (ETDEWEB)

    Elyukhin, V A, E-mail: elyukhin@cinvestav.m [Departamento de Ingenieria Electrica-SEES, CINVESTAV-IPN, Avenida IPN 2508, Col. San Pedro Zacatenco, C. P. 07360, Mexico, D. F. (Mexico)

    2009-05-01

    Self-assembling conditions of 1B4Sb tetrahedral nanoclusters in GaP doped with boron and Sb isoelectronic impurities are represented in the ultradilute and dilute limits of the boron and Sb contents, respectively. The fulfilled estimates demonstrated the preferential complete or almost complete allocation of boron atoms in 1B4Sb nanoclusters at temperatures of 500 {sup 0}C and 900 {sup 0}C, respectively. The significant decrease of the sum of the free energies of the constituent compounds is the main origin of self-assembling. The reduction of the strain energy is the additional cause of this phenomenon.

  6. Molecular beam epitaxy growth of InSb1−xBix thin films

    DEFF Research Database (Denmark)

    Song, Yuxin; Wang, Shumin; Saha Roy, Ivy

    2013-01-01

    Molecular beam epitaxy growth for InSb1−xBix thin films on (100) GaAs substrates is reported. Successful Bi incorporation for 2% is achieved, and up to 70% of the incorporated Bi atoms are at substitutional sites. The effects of growth parameters on Bi incorporation and surface morphology are stu...

  7. Preparation and crystal structure of Ca4Sb2O

    International Nuclear Information System (INIS)

    Eisenmann, B.; Limartha, H.; Schaefer, H.

    1980-01-01

    The formerly described compound Ca 2 Sb is to be corrected to Ca 4 Sb 2 O as shown by X-ray diffractometer data of single crystals and neutron diffraction diagrams of powders. The compound crystallizes in the K 2 NiF 4 structure type. (orig.)

  8. Lower lattice thermal conductivity in SbAs than As or Sb monolayers: a first-principles study.

    Science.gov (United States)

    Guo, San-Dong; Liu, Jiang-Tao

    2017-12-06

    Phonon transport in group-VA element (As, Sb and Bi) monolayer semiconductors has been widely investigated in theory, and, of them, monolayer Sb (antimonene) has recently been synthesized. In this work, phonon transport in monolayer SbAs is investigated with a combination of first-principles calculations and the linearized phonon Boltzmann equation. It is found that the lattice thermal conductivity of monolayer SbAs is lower than those of both monolayer As and Sb, and the corresponding sheet thermal conductance is 28.8 W K -1 at room temperature. To understand the lower lattice thermal conductivity in monolayer SbAs than those in monolayer As and Sb, the group velocities and phonon lifetimes of monolayer As, SbAs and Sb are calculated. The calculated results show that the group velocities of monolayer SbAs are between those of monolayer As and Sb, but that the phonon lifetimes of SbAs are smaller than those of both monolayer As and Sb. Hence, the low lattice thermal conductivity in monolayer SbAs is attributed to very small phonon lifetimes. Unexpectedly, the ZA branch has very little contribution to the total thermal conductivity, only 2.4%, which is obviously different from those of monolayer As and Sb with very large contributions. This can be explained by very small phonon lifetimes for the ZA branch of monolayer SbAs. The lower lattice thermal conductivity of monolayer SbAs compared to that of monolayer As or Sb can be understood by the alloying of As (Sb) with Sb (As), which should introduce phonon point defect scattering. We also consider the isotope and size effects on the lattice thermal conductivity. It is found that isotope scattering produces a neglectful effect, and the lattice thermal conductivity with a characteristic length smaller than 30 nm can reach a decrease of about 47%. These results may offer perspectives on tuning the lattice thermal conductivity by the mixture of multiple elements for applications of thermal management and

  9. Magnetic field induced strong valley polarization in the three-dimensional topological semimetal LaBi

    Science.gov (United States)

    Kumar, Nitesh; Shekhar, Chandra; Klotz, J.; Wosnitza, J.; Felser, Claudia

    2017-10-01

    LaBi is a three-dimensional rocksalt-type material with a surprisingly quasi-two-dimensional electronic structure. It exhibits excellent electronic properties such as the existence of nontrivial Dirac cones, extremely large magnetoresistance, and high charge-carrier mobility. The cigar-shaped electron valleys make the charge transport highly anisotropic when the magnetic field is varied from one crystallographic axis to another. We show that the electrons can be polarized effectively in these electron valleys under a rotating magnetic field. We achieved a polarization of 60% at 2 K despite the coexistence of three-dimensional hole pockets. The valley polarization in LaBi is compared to the sister compound LaSb where it is found to be smaller. The performance of LaBi is comparable to the highly efficient bismuth.

  10. Oligosilanylated Antimony Compounds

    OpenAIRE

    Zitz, Rainer; Gatterer, Karl; Reinhold, Crispin R. W.; M?ller, Thomas; Baumgartner, Judith; Marschner, Christoph

    2015-01-01

    By reactions of magnesium oligosilanides with SbCl3, a number of oligosilanylated antimony compounds were obtained. When oligosilanyl dianions were used, either the expected cyclic disilylated halostibine was obtained or alternatively the formation of a distibine was observed. Deliberate formation of the distibine from the disilylated halostibine was achieved by reductive coupling with C8K. Computational studies of Sb?Sb bond energies, barriers of pyramidal inversion at Sb, and the conformati...

  11. Electronic and optical properties of the LiCdX (X = N, P, As and Sb) filled-tetrahedral compounds with the Tran–Blaha modified Becke–Johnson density functional

    International Nuclear Information System (INIS)

    Bouhemadou, A.; Bin-Omran, S.; Allali, D.; Al-Otaibi, S.M.; Khenata, R.; Al-Douri, Y.; Chegaar, M.; Reshak, A.H.

    2015-01-01

    Highlights: • Electronic and optical properties of the LiCdX compounds have been predicted. • Tran–Blaha-modified Becke–Johnson functional significantly improves the band gap. • We predict a direct band gap in all of the considered LiCdX compounds. • Origin of the peaks in the optical spectra is determined. - Abstract: The structural, electronic and optical properties of the LiCdN, LiCdP, LiCdAs and LiCdSb filled-tetrahedral compounds have been explored from first-principles. The calculated structural parameters are consistent with the available experimental results. Since DFT with the common LDA and GGA underestimates the band gap, we use a new developed functional able to accurately describe the electronic structure of semiconductors, namely the Tran–Blaha-modified Becke–Johnson potential. The four investigated compounds demonstrate semiconducting behavior with direct band gap ranging from about 0.32 to 1.65 eV. The charge-carrier effective masses are evaluated at the topmost valence band and at the bottommost conduction band. The evolution of the value and nature of the energy band gap under pressure effect is also investigated. The frequency-dependent complex dielectric function and some macroscopic optical constants are estimated. The microscopic origins of the structures in the optical spectra are determined in terms of the calculated energy band structures

  12. Electronic and optical properties of the LiCdX (X = N, P, As and Sb) filled-tetrahedral compounds with the Tran–Blaha modified Becke–Johnson density functional

    Energy Technology Data Exchange (ETDEWEB)

    Bouhemadou, A., E-mail: a_bouhemadou@yahoo.fr [Laboratory for Developing New Materials and their Characterization, University of Setif 1, Setif 19000 (Algeria); Bin-Omran, S. [Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Department of Physics, Faculty of Science & Humanitarian Studies, Salman Bin Abdalaziz University, Alkharj 11942 (Saudi Arabia); Allali, D. [Laboratory for Developing New Materials and their Characterization, University of Setif 1, Setif 19000 (Algeria); Al-Otaibi, S.M. [Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Khenata, R. [Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département de Technologie, Université de Mascara, Mascara 29000 (Algeria); Al-Douri, Y. [Institute of Nano Electronic Engineering, Universiti Malaysia Perlis, Kangar, Perlis 01000 (Malaysia); Chegaar, M. [Department of Physics, Faculty of Science, University of Setif 1, Setif 19000 (Algeria); Reshak, A.H. [New Technologies-Research Center, University of West Bohemia, Univerzitni 8, Pilson 306 14 (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, Kangar, Perlis 01007 (Malaysia)

    2015-04-15

    Highlights: • Electronic and optical properties of the LiCdX compounds have been predicted. • Tran–Blaha-modified Becke–Johnson functional significantly improves the band gap. • We predict a direct band gap in all of the considered LiCdX compounds. • Origin of the peaks in the optical spectra is determined. - Abstract: The structural, electronic and optical properties of the LiCdN, LiCdP, LiCdAs and LiCdSb filled-tetrahedral compounds have been explored from first-principles. The calculated structural parameters are consistent with the available experimental results. Since DFT with the common LDA and GGA underestimates the band gap, we use a new developed functional able to accurately describe the electronic structure of semiconductors, namely the Tran–Blaha-modified Becke–Johnson potential. The four investigated compounds demonstrate semiconducting behavior with direct band gap ranging from about 0.32 to 1.65 eV. The charge-carrier effective masses are evaluated at the topmost valence band and at the bottommost conduction band. The evolution of the value and nature of the energy band gap under pressure effect is also investigated. The frequency-dependent complex dielectric function and some macroscopic optical constants are estimated. The microscopic origins of the structures in the optical spectra are determined in terms of the calculated energy band structures.

  13. The ‘sub’ metallide oxide hydrides Sr{sub 21}Si{sub 2}O{sub 5}H{sub 12+x} and Ba{sub 21}M{sub 2}O{sub 5}H{sub 12+x} (M = Zn, Cd, Hg, In, Tl, Si, Ge, Sn, Pb, As, Sb, Bi)

    Energy Technology Data Exchange (ETDEWEB)

    Jehle, Michael; Hoffmann, Anke [Institut für Anorganische und Analytische Chemie, Albert-Ludwigs-Universität Freiburg, Albertstr. 21, D-79104 Freiburg (Germany); Kohlmann, Holger [Institut für Anorganische Chemie, Universität Leipzig, Johannisallee 29, D-04103 Leipzig (Germany); Scherer, Harald [Institut für Anorganische und Analytische Chemie, Albert-Ludwigs-Universität Freiburg, Albertstr. 21, D-79104 Freiburg (Germany); Röhr, Caroline, E-mail: caroline@ruby.chemie.uni-freiburg.de [Institut für Anorganische und Analytische Chemie, Albert-Ludwigs-Universität Freiburg, Albertstr. 21, D-79104 Freiburg (Germany)

    2015-02-25

    Highlights: • The sub metallide oxide hydrides (Sr/Ba){sub 21}M{sub 2}O{sub 5}H{sub 12+x} were prepared for 14 M elements. • M covers a wide range of elements, from the Zn group to the pentels. • The ionic partial structure contains isolated M anions and suboxide clusters [O{sub 5}A{sub 18}]. • The H-content was determined by neutron diffraction and {sup 1}H/{sup 2}D MAS-NMR spectroscopy. • Band structure calculations support the H/D content and distribution. - Abstract: The title compounds sporting a great variety of anions M of different formal charges have been synthesized from melts of the composition A:M:O:H/D = 21:2:5:24, using BaH{sub 2}/SrH{sub 2} as hydrogen sources. All phases were characterized by means of single crystal X-ray data [cubic, space group Fd3{sup ¯}m; Sr{sub 21}Si{sub 2}O{sub 5}H{sub 12+x}: a = 1911.90(1) pm, R1 = 0.0201; for the barium phases with Zn (a = 2041.7(3) pm, R1 = 0.077), Cd (a = 2063.3(1) pm, R1 = 0.051), Hg (a = 2050.7(1) pm, R1 = 0.059), In (a = 2060.7(1) pm, R1 = 0.101), Tl (a = 2068.1(10) pm, R1 = 0.0485), Si (a = 2033.6(1) pm, R1 = 0.045), Ge (a = 2035.6(1) pm, R1 = 0.037), Sn (a = 2053.2(2) pm, R1 = 0.054), Pb (a = 2059.7(1) pm, R1 = 0.056), As (a = 2023.0(3) pm, R1 = 0.087), Sb (a = 2041.9(1) pm, R1 = 0.067) and Bi (a = 2045.9(1) pm, R1 = 0.075)]. Neutron powder diffraction data collected for the Ba silicide (both H and D compound) were refined by the Rietveld method (a = 2037.0(1), R{sub p} = 0.0173; wR{sub p} = 0.0304, R(F{sup 2}) = 0.086). The statistically occupied (H/D)(1) site 96g, which corresponds to the carbon position inSr{sub 21}Si{sub 2}O{sub 5}C{sub 6}, together with two further sparsely occupied sites (H/D)(2,3), yields the overall composition Ba{sub 21}Si{sub 2}O{sub 5}D{sub 14}. The hydrogen content, its chemical character and the distribution among the three H/D positions was evaluated by {sup 1}H/{sup 2}H MAS NMR spectroscopy for the Si, Ge and Sb compound. The crystal structure exhibits two

  14. Strong piezoelectricity in (1 - x)(K0.4Na0.6)(Nb0.96Sb0.04)O3-xBi0.5K0.5Zr1-ySnyO3 lead-free binary system: identification and role of multiphase coexistence.

    Science.gov (United States)

    Zheng, Ting; Wu, Jiagang; Xiao, Dingquan; Zhu, Jianguo; Wang, Xiangjian; Xin, Lipeng; Lou, Xiaojie

    2015-03-18

    Here we report a strong piezoelectric activity in (1 - x)(K0.4Na0.6)(Nb0.96Sb0.04)O3-xBi0.5K0.5Zr1-ySnyO3 lead-free ceramics by designing different phase boundaries. The phase boundaries concerning rhombohedral-orthorhombic-tetragonal (R-O-T) and rhombohedral-tetragonal (R-T) multiphase coexistence were attained by changing BKZS and Sn contents and then were identified by the X-ray diffraction patterns as well as temperature-dependent permittivity and ν1 Raman modes associated with BO6 perovskite octahedron. A high strain (strain = 0.21-0.28% and d33* = 707-880 pm/V) and a strong piezoelectric coefficient (d33 = 415-460 pC/N) were shown in the ceramics located at the multiphase coexistence region. The reported results of this work are superior to that (d33* ∼ 570 pm/V and d33 ∼ 416 pC/N) of the textured (K,Na,Li)(Nb,Ta,Sb)O3 ceramics [Nature 2004, 432, 84]. We believe that the material system of this work will become one of the most promising candidates for piezoelectric actuators.

  15. Electrocatalytic Production of C3-C4 Compounds by Conversion of CO2 on a Chloride-Induced Bi-Phasic Cu2O-Cu Catalyst.

    Science.gov (United States)

    Lee, Seunghwa; Kim, Dahee; Lee, Jaeyoung

    2015-12-01

    Electrocatalytic conversion of carbon dioxide (CO2) has recently received considerable attention as one of the most feasible CO2 utilization techniques. In particular, copper and copper-derived catalysts have exhibited the ability to produce a number of organic molecules from CO2. Herein, we report a chloride (Cl)-induced bi-phasic cuprous oxide (Cu2O) and metallic copper (Cu) electrode (Cu2OCl) as an efficient catalyst for the formation of high-carbon organic molecules by CO2 conversion, and identify the origin of electroselectivity toward the formation of high-carbon organic compounds. The Cu2OCl electrocatalyst results in the preferential formation of multi-carbon fuels, including n-propanol and n-butane C3-C4 compounds. We propose that the remarkable electrocatalytic conversion behavior is due to the favorable affinity between the reaction intermediates and the catalytic surface. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Topological Weyl semimetals in Bi1 -xSbx alloys

    Science.gov (United States)

    Su, Yu-Hsin; Shi, Wujun; Felser, Claudia; Sun, Yan

    2018-04-01

    We investigated Weyl semimetal (WSM) phases in bismuth antimony (Bi1 -xSbx ) alloys by combination of atomic composition and arrangement. Via first-principles calculations, we found two WSM states with Sb concentrations of x =0.5 and 0.83 with specific inversion-symmetry-broken elemental arrangement. The Weyl points are close to the Fermi level in both of these two WSM states. Therefore, it is likely to obtain Weyl points in Bi-Sb alloy. The WSM phase provides a reasonable explanation for the current transport study of Bi-Sb alloy with the violation of Ohm's law [D. Shin, Y. Lee, M. Sasaki, Y. H. Jeong, F. Weickert, J. B. Betts, H.-J. Kim, K.-S. Kim, and J. Kim, Nat. Mater. 16, 1096 (2017), 10.1038/nmat4965]. This paper shows that the topological phases in Bi-Sb alloys depend on both elemental composition and their specific arrangement.

  17. Point defect balance in epitaxial GaSb

    International Nuclear Information System (INIS)

    Segercrantz, N.; Slotte, J.; Makkonen, I.; Kujala, J.; Tuomisto, F.; Song, Y.; Wang, S.

    2014-01-01

    Positron annihilation spectroscopy in both conventional and coincidence Doppler broadening mode is used for studying the effect of growth conditions on the point defect balance in GaSb:Bi epitaxial layers grown by molecular beam epitaxy. Positron annihilation characteristics in GaSb are also calculated using density functional theory and compared to experimental results. We conclude that while the main positron trapping defect in bulk samples is the Ga antisite, the Ga vacancy is the most prominent trap in the samples grown by molecular beam epitaxy. The results suggest that the p–type conductivity is caused by different defects in GaSb grown with different methods.

  18. Study for material analogs of FeSb2: Material design for thermoelectric materials

    Science.gov (United States)

    Kang, Chang-Jong; Kotliar, Gabriel

    2018-03-01

    Using the ab initio evolutionary algorithm (implemented in uspex) and electronic structure calculations we investigate the properties of a new thermoelectric material FeSbAs, which is a material analog of the enigmatic thermoelectric FeSb2. We utilize the density functional theory and the Gutzwiller method to check the energetics. We find that FeSbAs can be made thermodynamically stable above ˜30 GPa. We investigate the electronic structure and thermoelectric properties of FeSbAs based on the density functional theory and compare with those of FeSb2. Above 50 K, FeSbAs has higher Seebeck coefficients than FeSb2. Upon doping, the figure of merit becomes larger for FeSbAs than for FeSb2. Another material analog FeSbP, was also investigated, and found thermodynamically unstable even at very high pressure. Regarding FeSb2 as a member of a family of compounds (FeSb2, FeSbAs, and FeSbP) we elucidate what are the chemical handles that control the gaps in this series. We also investigate solubility (As or P for Sb in FeSb2) we found As to be more soluble. Finally, we study a two-band model for thermoelectric properties and find that the temperature dependent chemical potential and the presence of the ionized impurities are important to explain the extremum in the Seebeck coefficient exhibited in experiments for FeSb2.

  19. Bi{sub 2}O{sub 3}–CuO–P{sub 2}O{sub 5} system: Two novel compounds built from the intergrowths oxocentered polycationic 1D-ribbons

    Energy Technology Data Exchange (ETDEWEB)

    Colmont, Marie, E-mail: marie.colmont@ensc-lille.fr [Universite Lille 1, Universite Lille Nord France, ENSCL, CNRS, UCCS, UMR 8181, F-59652 Villeneuve d' Ascq (France); Endara, Diana; Aliev, Almaz [Universite Lille 1, Universite Lille Nord France, ENSCL, CNRS, UCCS, UMR 8181, F-59652 Villeneuve d' Ascq (France); Terryn, Christine [Plateforme Imagerie Cellulaire et Tissulaire, 51 Rue Cognacq-Jay, 51100 Reims (France); Huvé, Marielle; Mentré, Olivier [Universite Lille 1, Universite Lille Nord France, ENSCL, CNRS, UCCS, UMR 8181, F-59652 Villeneuve d' Ascq (France)

    2013-07-15

    Single crystals of two novel bismuth copper oxyphosphates were grown from a unique melt. They have been structurally characterized by means of single crystal X-Ray Diffraction (XRD). Bi{sub 29.4}Cu{sub 9.29}O{sub 32}(PO{sub 4}){sub 16}Cu{sub 2.63} (1) is orthorhombic, space group Pca2{sub 1}, a=33.0549(2)A, b=11.6991(4)A and c=5.2902(2)A, R{sub 1}=0.059 and wR{sub 2}=0.061. Bi{sub 37.2}Cu{sub 18.8}O{sub 44}(PO{sub 4}){sub 24}Cu{sub 5} (2) is orthorhombic, space group Pna2{sub 1}, a=11.6010(3)A, b=47.4384(5)A and c=5.267(2)A, R{sub 1}=0.0940 and wR{sub 2}=0.0981. Both compounds are formed of similar 1D building units (BUs) organized into two different 3D regular intergrowths mediated by phosphate groups. Here, the so-called 1D-BUs are infinite ribbons formed by edge-sharing O(Bi,M){sub 4} tetrahedra with n=4 and n=3 tetrahedra-wide units. Both compounds were analyzed from the viewpoint of their relationship with the parent δ-Bi{sub 2}O{sub 3} fluorite-like structure, where phosphorus atoms substitutes for some Bi sites. A non-exhaustive review of the related structural types is given. We have checked by second harmonic generacy (SHG) microscopy that the two non-centrosymmetric structures (despite polar subunits) lead to SHG before the samples are irreversibly damaged. - Graphical abstract: This paper reports the crystal structure of two new bismuth oxophosphate compounds. Both are built on the association of n=3 and 4 building unit ribbons surrounded by isolated PO4 tetrahedra and tunnels hosting Cu{sup 2+} cations. They come in addition to the numerous Bi-based compounds already pointed out. Once more, this is the proof of the richness of this crystal system. - Highlights: • Two new bismuth oxophosphates were synthesized. • Crystal structure were solved thanks to single crystal X-Ray diffraction. • They show two different associations of n=3 and 4 ribbons built on [O,(Bi,M){sub 4}] tetrahedral sharing edges and surrounded by isolated PO4 groups. • SHG

  20. Fate and chemical speciation of antimony (Sb) during uptake, translocation and storage by rye grass using XANES spectroscopy.

    Science.gov (United States)

    Ji, Ying; Sarret, Géraldine; Schulin, Rainer; Tandy, Susan

    2017-12-01

    Antimony (Sb) is a contaminant of increased prevalence in the environment, but there is little knowledge about the mechanisms of its uptake and translocation within plants. Here, we applied for the synchrotron based X-ray absorption near-edge structure (XANES) spectroscopy to analyze the speciation of Sb in roots and shoots of rye grass (Lolium perenne L. Calibra). Seedlings were grown in nutrient solutions to which either antimonite (Sb(III)), antimonate (Sb(V)) or trimethyl-Sb(V) (TMSb) were added. While exposure to Sb(III) led to around 100 times higher Sb accumulation in the roots than the other two treatments, there was no difference in total Sb in the shoots. Antimony taken up in the Sb(III) treatment was mainly found as Sb-thiol complexes (roots: >76% and shoots: 60%), suggesting detoxification reactions with compounds such as glutathione and phytochelatins. No reduction of accumulated Sb(V) was found in the roots, but half of the translocated Sb was reduced to Sb(III) in the Sb(V) treatment. Antimony accumulated in the TMSb treatment remained in the methylated form in the roots. By synchrotron based XANES spectroscopy, we were able to distinguish the major Sb compounds in plant tissue under different Sb treatments. The results help to understand the translocation and transformation of different Sb species in plants after uptake and provide information for risk assessment of plant growth in Sb contaminated soils. Copyright © 2017 Elsevier Ltd. All rights reserved.

  1. Quantitative EDX microanalysis of Bi2Te3 in the TEM

    International Nuclear Information System (INIS)

    Peranio, N.; Eibl, O.

    2007-01-01

    Quantitative chemical analysis by energy dispersive X-ray spectrometry (EDX) in a transmission electron microscope (TEM) Zeiss912 and ohm; was applied to p-type (Bi,Sb) 2 Te 3 and n-type Bi 2 (Te,Se) 3 thermoelectric materials. Preliminary results yielded artifacts due to Bi spurious X-rays and hole-counts significantly beyond zero. A stray aperture was inserted in the TEM to absorb the stray radiation. With this aperture inserted a high-accuracy quantitative chemical analysis was established. The hole-counts decreased by a factor of 5 and the scatter of data decreased by a factor of 4 with respect to no aperture inserted. The mole fractions of Te and Se were 54.4 at% and 5.5 at% and varied by 0.5 at% for n-type material. A similar behaviour was found for Sb and Bi in p-type material. The variation in stoichiometry is smaller on the sub-micrometer scale and increases with increasing length scale for both, n-type and p-type Bi 2 Te 3 . Measurements in the TEM confirmed the inhomogeneous chemical composition found by wavelength dispersive X-ray spectrometry. The improved accuracy of the quantitative EDX analysis is also important for other compounds with unique physical properties. This was demonstrated on thin foils containing heavy elements and on powders of light elements dispersed on Cu-grids, i.e., the high-T C superconductor Bi 2 Sr 2 CaCu 2 O 8 and the mineral salt hydroxyapatite Ca 10 (PO 4 ) 6 OH 2 . (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  2. Bismuth-induced restructuring of the GaSb(110) surface

    DEFF Research Database (Denmark)

    Gemmeren, T. van; Lottermoser, L.; Falkenberg, G.

    1998-01-01

    The structure of the GaSb(110)(1 x 2)-Bi reconstruction has been solved using surface x-ray diffraction, scanning tunneling microscopy, and photoelectron spectroscopy. The ideal GaSb(110) surface is terminated with zigzag chains of anions and cations running in the [1 (1) over bar 0] direction...

  3. 121Sb-NMR study of filled skutterudite CeOs4Sb12

    International Nuclear Information System (INIS)

    Yogi, M.; Niki, H.; Mukuda, H.; Kitaoka, Y.; Sugawara, H.; Sato, H.

    2007-01-01

    121 Sb nuclear magnetic resonance (NMR) of filled skutterudite compound CeOs 4 Sb 12 has been carried out to investigate a spin fluctuation below T∼25K. In spite of a powdered sample, many sharp peaks, similar to a data for single crystal, were observed because of an orientation of the sample from the anisotropy of the magnetization. A numerical calculation well reproduces resonance fields for Sb(1) sites with H parallel V zz . The nuclear spin-lattice relaxation rate divided by temperature 1/T 1 T shows continuous decrease with increasing magnetic field, indicating a suppression of the spin fluctuation by the field

  4. Phase equilibria and homogeneity range of the high temperature superconducting compound (Bi,Pb)2+xSr2Ca2Cu3O10+δ

    International Nuclear Information System (INIS)

    Kaesche, S.

    1995-01-01

    For the superconducting cuprates (Bi,Pb) 2+x Sr 2 Ca 2 Cu 3 O 10+y phase equilibria, the homogeneity region, and the phase formation has been studied in the temperture range 800 to 890 C. Sintered samples were prepared by a solid state reaction starting from Bi 2 O 3 , PbO, CuO and carbonates CaCO 3 and SrCO 3 in a three-stage calcination process. For the phase identification polarization microscopy, X-ray diffraction and susceptibility measurements have been applied. Multi-phase regions were determined in the cross section of the quasi-ternary system (Bi,Pb) 2 O 3 -SrO-CaO-CuO with constant Bi/(Bi+Pb) ratio 0.84 taking into account the 2223-phase. The homogeneity region was determined as function of Sr, Ca, Bi and Pb concentration. Its maximum size was found at 850 C

  5. Preparation and properties of organo(acetylacetonato)antimony(V) compounds

    NARCIS (Netherlands)

    Meinema, H.A.; Noltes, J.G.

    Organo(acetylacetonato)antimony(V) compounds of the types R2SbCl2Acac, R4SbAcac, PhSbCl3Acac and Cl4SbAcac have been synthesized. The compounds are monomeric in solution. IR and PMR data of these compounds, which contain a chelated Acac ligand have been discussed. Ph2SbCl2Acac shows abnormal

  6. Structure and properties of intermetallic ternary rare earth compounds

    International Nuclear Information System (INIS)

    Casper, Frederick

    2008-01-01

    The so called material science is an always growing field in modern research. For the development of new materials not only the experimental characterization but also theoretical calculation of the electronic structure plays an important role. A class of compounds that has attracted a great deal of attention in recent years is known as REME compounds. These compounds are often referred to with RE designating rare earth, actinide or an element from group 1-4, M representing a late transition metal from groups 8-12, and E belonging to groups 13-15. There are more than 2000 compounds with 1:1:1 stoichiometry belonging to this class of compounds and they offer a broad variety of different structure types. Although many REME compounds are know to exist, mainly only structure and magnetism has been determined for these compounds. In particular, in the field of electronic and transport properties relatively few efforts have been made. The main focus in this study is on compounds crystallizing in MgAgAs and LiGaGe structure. Both structures can only be found among 18 valence electron compounds. The f electrons are localized and therefor not count as valence electrons. A special focus here was also on the magnetoresistance effects and spintronic properties found among the REME compounds. An examination of the following compounds was made: GdAuE (E=In,Cd,Mg), GdPdSb, GdNiSb, REAuSn (RE=Gd,Er,Tm) and RENiBi (RE=Pr,Sm,Gd-Tm,Lu). The experimental results were compared with theoretic band structure calculations. The first half metallic ferromagnet with LiGaGe structure (GdPdSb) was found. All semiconducting REME compounds with MgAgAs structure show giant magnetoresistance (GMR) at low temperatures. The GMR is related to a metal-insulator transition, and the value of the GMR depends on the value of the spin-orbit coupling. Inhomogeneous DyNiBi samples show a small positive MR at low temperature that depends on the amount of metallic impurities. At higher fields the samples show a

  7. Structure and properties of intermetallic ternary rare earth compounds

    Energy Technology Data Exchange (ETDEWEB)

    Casper, Frederick

    2008-12-17

    The so called material science is an always growing field in modern research. For the development of new materials not only the experimental characterization but also theoretical calculation of the electronic structure plays an important role. A class of compounds that has attracted a great deal of attention in recent years is known as REME compounds. These compounds are often referred to with RE designating rare earth, actinide or an element from group 1-4, M representing a late transition metal from groups 8-12, and E belonging to groups 13-15. There are more than 2000 compounds with 1:1:1 stoichiometry belonging to this class of compounds and they offer a broad variety of different structure types. Although many REME compounds are know to exist, mainly only structure and magnetism has been determined for these compounds. In particular, in the field of electronic and transport properties relatively few efforts have been made. The main focus in this study is on compounds crystallizing in MgAgAs and LiGaGe structure. Both structures can only be found among 18 valence electron compounds. The f electrons are localized and therefor not count as valence electrons. A special focus here was also on the magnetoresistance effects and spintronic properties found among the REME compounds. An examination of the following compounds was made: GdAuE (E=In,Cd,Mg), GdPdSb, GdNiSb, REAuSn (RE=Gd,Er,Tm) and RENiBi (RE=Pr,Sm,Gd-Tm,Lu). The experimental results were compared with theoretic band structure calculations. The first half metallic ferromagnet with LiGaGe structure (GdPdSb) was found. All semiconducting REME compounds with MgAgAs structure show giant magnetoresistance (GMR) at low temperatures. The GMR is related to a metal-insulator transition, and the value of the GMR depends on the value of the spin-orbit coupling. Inhomogeneous DyNiBi samples show a small positive MR at low temperature that depends on the amount of metallic impurities. At higher fields the samples show a

  8. The oxygen content of the high-temperature superconducting compound Bi2+xSr3-yCayCu2O8+d with respect to varying Ca and Bi contents

    International Nuclear Information System (INIS)

    Majewski, P.; Su, H.L.; Aldinger, F.

    1994-01-01

    The oxygen content of Bi 2+x Sr 3-y Ca y Cu 2 O 8+d (2212 phase) has been determined as a function of its cation concentration. With increasing Ca and Bi content the oxygen content increases and T c decreases. The oxygen content of Ca rich 2212 phase increases with decreasing annealing temperatures. The study shows that the T c of the 2212 phase primarily is controlled by its cation concentration

  9. Enhancement of photocurrents due to the oxidation of water and organic compounds at BiZn2VO6 particulate thin film electrodes by treatment with a TiCl4 solution

    International Nuclear Information System (INIS)

    Liu Haimei; Imanishi, Akihito; Yang Wensheng; Nakato, Yoshihiro

    2010-01-01

    Photocurrents due to water oxidation at BiZn 2 VO 6 (E g 2.4 eV) particulate thin film electrodes were largely enhanced by pre-treatment with an aqueous TiCl 4 solution. Photocurrents for BiZn 2 VO 6 electrodes with no TiCl 4 treatment were also enhanced by the addition of organic compounds such as methanol and trimethyl amine to the aqueous electrolyte. Interestingly, such enhanced photocurrents by organic compounds were further enhanced by the TiCl 4 pre-treatment. EDAX and SEM investigations showed the formation of a flock-like TiO 2 overlayer on BiZn 2 VO 6 particles after the TiCl 4 treatment. The photocurrent enhancement by the TiCl 4 pre-treatment is thus mainly attributed to the necking effect of the flock-like TiO 2 overlayer, which facilitates the transport of photogenerated electrons within the BiZn 2 VO 6 particulate thin film electrode.

  10. Yield of 117Sb, 118mSb, 120mSb, 122Sb, 124Sb in reactions Sn (p, xn)

    International Nuclear Information System (INIS)

    Dmitriev, P.P.; Konstantinov, I.O.

    1993-01-01

    Yield of 117 Sb, 118m Sb, 120m Sb, 122 Sb, 124 Sb from thick target depending on proton energy is measured. The maximum proton energy is 21.7±0.2 MeV. Antimony isotopes yield in separate reactions when irradiating of tin isotopes with 100% enrichment is determined using the method published earlier. The methods for production of 117 Sb, 118m Sb, 120m Sb, 122 Sb, 124 Sb with high radioisotope purity are shown. 13 refs., 1 fig., 3 tabs

  11. First-principles study of amorphous Ga4Sb6Te3 phase-change alloys

    Science.gov (United States)

    Bouzid, Assil; Gabardi, Silvia; Massobrio, Carlo; Boero, Mauro; Bernasconi, Marco

    2015-05-01

    First-principles molecular dynamics simulations within the density functional theory framework were performed to generate amorphous models of the Ga4Sb6Te3 phase change alloy by quenching from the melt. We find that Ga-Sb and Ga-Te are the most abundant bonds with only a minor amount of Sb-Te bonds participating to the alloy network. Ga and four-coordinated Sb atoms present a tetrahedral-like geometry, whereas three-coordinated Sb atoms are in a pyramidal configuration. The tetrahedral-like geometries are similar to those of the crystalline phase of the two binary compounds GaTe and GaSb. A sizable fraction of Sb-Sb bonds is also present, indicating a partial nanoscale segregation of Sb. Despite the fact that the composition Ga4Sb6Te3 lies on the pseudobinary Ga Sb -Sb2Te3 tie line, the amorphous network can be seen as a mixture of the two binary compounds GaTe and GaSb with intertwined elemental Sb.

  12. Use of a crystalline bismuth oxide compound of composition Bi10-14X1Osub(n) and device for this and process for its manufacture

    International Nuclear Information System (INIS)

    Thomann, H.; Grabmaier, C.

    1980-01-01

    The Bi 12 Ge0 20 or Bi 12 Si0 20 material can be manufactured as a single crystal for use as dosimetric measuring element for X-rays and gamma-rays. On the other hand it is also possible to use the material as a polycrystalline, sintered substrate for X-ray and gamma-ray xerography. (DG) [de

  13. Single step hydrothermal based synthesis of M(II)Sb2O6 (M = Cd ...

    Indian Academy of Sciences (India)

    characterized by powder X-ray diffraction, scanning electron microscopy, energy dispersive .... SEM images and EDAX analysis of (a) and (b) CdSb2O6 and (c) and (d) ZnSb2O6. ... The parent compound, ilmenite (NaSbO3) could degrade MB.

  14. Raman spectra of the system TeCl4-SbCl5

    International Nuclear Information System (INIS)

    Brockner, W.; Demiray, A.F.

    1980-01-01

    Raman spectra of the solid and molten TeCl 4 . SbCl 5 addition compound and of some TeCl 4 -SbCl 5 mixtures have been recorded. Two modifications of the crystalline TeCl 4 -SbCl 5 compound have been found. The structure of the melt can be described by the equilibrium TeCl 3 + + SbCl 6 - reversible TeCl 4 + SbCl 5 lying on the left side. Mixtures with other stoichiometry contain the 1:1 adduct only and excess TeCl 4 or SbCl 5 , respectively. Such melts are built up by the ionic species TeCl 3 + and SbCl 6 - also and TeCl 4 or SbCl 5 according to stoichiometry. (author)

  15. The oxygen content of the high-temperature superconducting compound Bi{sub 2+x}Sr{sub 3-y}CayCu{sub 2}O{sub 8+d} with respect to varying Ca and Bi contents

    Energy Technology Data Exchange (ETDEWEB)

    Majewski, P.; Su, H.L.; Aldinger, F. [Max-Planck-Institut fuer Metallforschung, Stuggart (Germany)

    1994-12-31

    The oxygen content of Bi{sub 2+x}Sr{sub 3-y}Ca{sub y}Cu{sub 2}O{sub 8+d} (2212 phase) has been determined as a function of its cation concentration. With increasing Ca and Bi content the oxygen content increases and T{sub c} decreases. The oxygen content of Ca rich 2212 phase increases with decreasing annealing temperatures. The study shows that the T{sub c} of the 2212 phase primarily is controlled by its cation concentration.

  16. Increasing the thermoelectric power factor of Ge17Sb2Te20 by adjusting the Ge/Sb ratio

    Science.gov (United States)

    Williams, Jared B.; Mather, Spencer P.; Page, Alexander; Uher, Ctirad; Morelli, Donald T.

    2017-07-01

    We have investigated the thermoelectric properties of Ge17Sb2Te20. This compound is a known phase change material with electronic properties that depend strongly on temperature. The thermoelectric properties of this compound can be tuned by altering the stoichiometry of Ge and Sb without the use of additional foreign elements during synthesis. This tuning results in a 26% increase in the thermoelectric power factor at 723 K. Based on a single parabolic band model we show that the pristine material is optimally doped, and thus, a reduction in the lattice thermal conductivity of pure Ge17Sb2Te20 should result in an enhanced thermoelectric figure of merit.

  17. Sb interactions with TaC precipitates and Cu in ion-implanted α-Fe

    International Nuclear Information System (INIS)

    Follstaedt, D.M.; Myers, S.M.

    1980-01-01

    The interactions of Sb with the other species implanted into Fe to form Fe-Ta-C-Sb and Fe-Cu-Sb alloys have been examined with transmission electron microscopy and Rutherford backscattering following annealing at 873 0 K. Trapping of Sb at TaC precipitates is observed in the former alloy just as was previously observed in Fe-Ti-C-Sb. In Fe-Cu-Sb, Sb interactions are governed by the atomic ratio of Sb to Cu. For ratios between 0.2 to 0.4, the compound β-Cu 3 Sb was observed to form. For Sb to Cu ratios approx.< 0.1, fcc Cu precipitates were observed. In addition to the expected Sb dissolution in Cu, Sb trapping by Cu precipitates is also observed. The binding enthalpy of Sb at both TaC and Cu precipitates with respect to a solution site in the bcc Fe is the same as observed for TiC, approx. 0.4 eV. The constancy of the binding enthalpy at such chemically dissimilar precipitates supports the hypothesis that the trapping is due to the structural discontinuity of the precipitate-host interface. The observed Sb trapping at precipitates is of potential significance for the control of temper embrittlement in bcc steels

  18. Synthesis and Characterization of Tert-Butylgallium-Antimony Compounds; X-Ray Crystal Structures of t-Bu3Ga. Sb(SiMe3)3, T-Bu2GaSb(SiMe3)2, and t-Bu2GaSb(SiMe3)Ga(t-Bu)2Cl, The first Example of a Gallium-Antimony Mixed-Bridge Compound

    National Research Council Canada - National Science Library

    Wells, Richard

    1997-01-01

    ...:1 equilibration of t-Bu2GaCl with 2. These new gallium-antimony compounds have been characterized through multinuclear solution NMR spectroscopy, partial elemental analysis, and single-crystal X-ray structural analysis...

  19. Electronic structure and high pressure phase transition in LaSb and CeSb

    International Nuclear Information System (INIS)

    Mathi Jaya, S.; Sanyal, S.P.

    1992-09-01

    The electronic structure and high pressure structural phase transition in cerium and lanthanum antimonides have been investigated using the tight binding LMTO method. The calculation of total energy reveals that the simple tetragonal structure is found to be stable at high pressures for both the compounds. In the case of LaSb, the calculated value of the equilibrium cell volume and the cell volume at which phase transition occurs are found to have a fairly good agreement with the experimental results. However, in the case of CeSb, the agreement is not as good as in LaSb. We also predicted the most favoured c/a value in the high pressure phase (simple tetragonal) for these compounds. Further we present the calculated results on the electronic structure of these systems at the equilibrium as well as at the reduced cell volumes. (author). 8 refs, 11 figs, 1 tab

  20. Synthesis, crystal structure, thermal analysis and dielectric properties of [(C{sub 4}H{sub 9}){sub 4}N]{sub 3}Bi{sub 2}Cl{sub 9} compound

    Energy Technology Data Exchange (ETDEWEB)

    Trigui, W., E-mail: walatrigui@yahoo.fr; Oueslati, A.; Chaabane, I.; Hlel, F.

    2015-07-15

    A new organic–inorganic tri-tetrabutylammonium nonachlorobibismuthate(III) compound was prepared. It was found to crystallize in the monoclinic system (P2{sub 1}/n space group) with the following lattice parameters: a=11.32(2) Å, b=22.30(3) Å, c=28.53(2) Å and β=96.52(0)°. The [Bi{sub 2}Cl{sub 9}]{sup 3−} anions are surrounded by six [(C{sub 4}H{sub 9})N]{sup +} cations, forming an octahedral configuration. These octahedra are sharing corners in order to provide the tri-dimensional network cohesion. The differential scanning calorimetry reveals four order-disorder reversible phase transitions located at 214, 238, 434 and 477 K. The Raman and infrared spectra confirm the presence of both cationic [(C{sub 4}H{sub 9})N]{sup +} and anionic [Bi{sub 2}Cl{sub 9}]{sup 3−} parts. The dielectric parameters, real and imaginary dielectric permittivity (ε′ and ε″), and dielectric loss tangent (tg δ), were measured in the frequency range of 209 kHz–5 MHz at different temperatures. The variations of dielectric dispersion (ε') and dielectric absorption (ε″) with frequency show a distribution of relaxation times, which is probably related to the change in the dynamical state of the [(C{sub 4}H{sub 9}){sub 4}N]{sup +} cations and the [Bi{sub 2}Cl{sub 9}]{sup 3−} anions. - Graphical abstract: Projection of the atomic arrangement of the [(C{sub 4}H{sub 9}){sub 4}N]{sub 3}Bi{sub 2}Cl{sub 9} compound along the b axis. - Highlights: • The structure of the (TBA){sub 3}Bi{sub 2}Cl{sub 9} compound was solved and reported. • The cristal belongs to the monoclinic system with P2{sub 1}/n space group. • DSC discloses four order–disorder reversible phases transitions. • The temperature-dependent permittivity ε' and ε″ has been investigated.

  1. AEMnSb2 (AE=Sr, Ba): a new class of Dirac materials

    International Nuclear Information System (INIS)

    Farhan, M Arshad; Lee, Geunsik; Shim, Ji Hoon

    2014-01-01

    The Dirac fermions of Sb square net in AEMnSb 2 (AE=Sr, Ba) are investigated by using first-principles calculation. BaMnSb 2 contains Sb square net layers with a coincident stacking of Ba atoms, exhibiting Dirac fermion behavior. On the other hand, SrMnSb 2 has a staggered stacking of Sr atoms with distorted zig-zag chains of Sb atoms. Application of hydrostatic pressure on the latter induces a structural change from a staggered to a coincident arrangement of AE ions accompanying a transition from insulator to a metal containing Dirac fermions. The structural investigations show that the stacking type of cation and orthorhombic distortion of Sb layers are the main factors to decide the crystal symmetry of the material. We propose that the Dirac fermions can be obtained by controlling the size of cation and the volume of AEMnSb 2 compounds. (fast track communication)

  2. The effect of lanthanides on color properties of the (Bi2O30.7(Ln2O30.3 compounds

    Directory of Open Access Journals (Sweden)

    Šulcová P.

    2008-01-01

    Full Text Available (Bi2O30.7(Ln2O30,3 solid solutions were synthesized as new inorganic yellow and orange pigments and their color properties have been investigated as possible ecological materials. The pigments were prepared by the solid state reaction of mixed oxides (Bi2O30.7(Ln2O30.3 of various rare earth cations (Ln = Eu, Gd, Tm, Yb and Lu. All the synthesized pigment samples were found to have color coordinates, low a* and high b* and exhibit the color from pale light yellow to orange. Reflectance spectra of the samples show high reflectance percentage in the 600 - 700 nm range. Characterization of the (Bi2O30.7(Ln2O30,3 solid solutions suggests that they have a potential to be alternative yellow colorants for paints, inks, plastics, and ceramics.

  3. Neutron scattering study of Ce3Au3Sb4

    International Nuclear Information System (INIS)

    Kasaya, Mitsuo; Katoh, Kenichi; Kohgi, Masahumi; Osakabe, Toyotaka

    1993-01-01

    Rare-earth compounds with an Y 3 Au 3 Sb 4 -type crystal structure are semiconductors or semi-metals. Among them, Ce 3 Au 3 Sb 4 is a semiconductor with an activation energy of about 640 K and shows no magnetic order down to 1.5 K. The magnetic part of the specific heat for Ce 3 Au 3 Sb 4 obtained by subtracting the value for La 3 Au 3 Sb 4 from the total specific heat of Ce 3 Au 3 Sb 4 shows a broad peak at around 10 K, the origin of which is well explained by the crystalline-field splitting determined by neutron scattering. (author)

  4. Preparation and crystal structure of Ca/sub 4/Sb/sub 2/O

    Energy Technology Data Exchange (ETDEWEB)

    Eisenmann, B; Limartha, H; Schaefer, H; Graf, H A

    1980-12-01

    The formerly described compound Ca/sub 2/Sb is to be corrected to Ca/sub 4/Sb/sub 2/O as shown by X-ray diffractometer data of single crystals and neutron diffraction diagrams of powders. The compound crystallizes in the K/sub 2/NiF/sub 4/ type structure.

  5. Calorimetric investigations of U-Bi system

    International Nuclear Information System (INIS)

    Agarwal, Renu; Joshi, A.R.

    2013-01-01

    U 0.333 Bi 0.667 is a compound that may form on breach of clad during reactor operation with metallic fuel and lead-bismuth coolant. Therefore, enthalpy of mixing of U-Bi liquid solution in limited composition range and enthalpy of formation of U 0.333 Bi 0.667 compound were measured by high temperature calorimetry. The enthalpy of mixing follows subregular solution model and enthalpy of formation U 0.333 Bi 0.667 from U(l) and Bi(l) at 843 K was -52.5 kJ/mol and -40.8 kJ/mol from U(s) and Bi(s) at 298.15 K. Both enthalpy of mixing and enthalpy of formation of intermetallic compound obtained experimentally were compared with Miedema model values. (author)

  6. Studies on coordination and addition compounds and anti microbial activity of some mixed ligand complexes of Au(III), Mo(II), Co(II) and Cd(II) with dibasic acid and heterocyclic amines and addition compounds of As(III) and Sb(III) halides with benzamide and acetophenon

    International Nuclear Information System (INIS)

    Hossain, M.; Sultana, C.; Saidul Islam, M.; Zakaria, C.M.

    2008-06-01

    Three new mixed ligand complexes of Au(III) and Mo(II) with dibasic acid e.g., homophthalic acid, oxalic acid and heterocylic amines e.g., quinonine, iso-quinonine, bipyridine, Phenylanaline and the two new addition compounds of As(III) and Sb(III) halides with N-donor ligands viz. benzamide and acetophenone and one complex [Cd(DPH)(IQ) 2 ], where IQ = Iso-quinoline and DPH = Deprotonated phthalic acid have been prepared according to the procedure in the literature. Their conventional physical and chemical analyses have been done. Their antibacterial studies against nine gram positive and five gram negative pathogenic bacteria and antifungal activities against eight plant and three human fungi have been evaluated. Kanamycin and Nystatin have been used as a standard for carrying out experiments of antibacterial and antifungal activities, respectively. The minimum inhibitory concentration (MIC) values of these compounds, as antibiotic against two gram positive and two gram negative pathogenic bacteria, have also been carried out and in this case, Amoxacilin antibiotic has been used as a standard antibiotic. (author)

  7. Synthesis and crystal structure of Cd2SbBr2

    International Nuclear Information System (INIS)

    Reshetova, L.N.; Shevel'kov, A.V.; Popovkin, B.A.

    1999-01-01

    A new cadmium antimonidobromide, i.e. Cd 2 SbBr 2 , has been synthesized by the standard ampoule method. The compound is crystallized in monoclinic system of sp. gr. P2 1 :a=8.244 (1), b=9.920(1), c=8.492(1) A, Β=116.80(1) deg. Binuclear anions of Sb 2 4- (Sb-Sb 2.78 A), octahedrically surrounded by six cadmium atoms, are a basic specific feature of the structure. Octahedrons of Sb 2 Cd 6 , by collectivizing the equatorial vertices. form layers, the alternation mode of which is similar to the one described for cadmium and mercury arsenidochlorides

  8. Thermoelectric and mechanical properties of spark plasma sintered Cu3SbSe3 and Cu3SbSe4: Promising thermoelectric materials

    Science.gov (United States)

    Tyagi, Kriti; Gahtori, Bhasker; Bathula, Sivaiah; Toutam, Vijaykumar; Sharma, Sakshi; Singh, Niraj Kumar; Dhar, Ajay

    2014-12-01

    We report the synthesis of thermoelectric compounds, Cu3SbSe3 and Cu3SbSe4, employing the conventional fusion method followed by spark plasma sintering. Their thermoelectric properties indicated that despite its higher thermal conductivity, Cu3SbSe4 exhibited a much larger value of thermoelectric figure-of-merit as compared to Cu3SbSe3, which is primarily due to its higher electrical conductivity. The thermoelectric compatibility factor of Cu3SbSe4 was found to be ˜1.2 as compared to 0.2 V-1 for Cu3SbSe3 at 550 K. The results of the mechanical properties of these two compounds indicated that their microhardness and fracture toughness values were far superior to the other competing state-of-the-art thermoelectric materials.

  9. Study on the application of magnesium oxide adsorptive compound to preconcentrate trace elements (As, Cu, Co, Cr, Hg, Mn, Sb and Zn) in high salt water and neutron activation analysis

    Energy Technology Data Exchange (ETDEWEB)

    Giang, Nguyen; Tam, Nguyen Thanh; Phuong Mai, Truong Thi; Ho Tran The Huu [Center for Analytical Techniques, Nuclear Research Institute, Dalat (Viet Nam)

    2007-12-15

    The project presents preconcentration neutron activation analysis techniques for determination of trace metals (As, Co, Cr Cu, Hg, Mn, Sb and Zn) in high salt water by adsorption of trace metals on magnesium oxide. Precipitate is collected on 0.45 {mu}m membrane filters and irradiated in pneumatic rabit system and Lazy Susan facility at flux 5.10{sup 12} n/cm{sup 2}.sec for As, Cu, Mn and 2.10{sup 12} n/cm{sup 2}.sec for Hg, Sb, Cr, Co and Zn. The radioactivities of {sup 76}As, {sup 60}Co, {sup 64}Cu, {sup 51}Cr, {sup 203}Hg, {sup 56}Mn, {sup 124}Sb and {sup 65}Zn were measured. {sup 76}As, {sup 60}Co, {sup 64}Cu, {sup 51}Cr, {sup 203}Hg, {sup 56}Mn, {sup 124}Sb and {sup 65}Zn radio traces were used to establish optimum conditions and to evaluate the chemical yield. Detection limits of this method are 0.019, 0.006, 0.044, 0.058, 0.021, 0.027, 0.012 and 0.094 {mu}g of As, Co, Cr, Cu, Hg, Mn, Sb and Zn respectively. (author)

  10. Synthesis and structural characterization of a novel Sillén - Aurivillius bismuth oxyhalide, PbBi3VO7.5Cl, and its derivatives

    Science.gov (United States)

    Charkin, Dmitri O.; Plokhikh, Igor V.; Kazakov, Sergey M.; Kalmykov, Stepan N.; Akinfiev, Victor S.; Gorbachev, Anatoly V.; Batuk, Maria; Abakumov, Artem M.; Teterin, Yury A.; Maslakov, Konstantin I.; Teterin, Anton Yu; Ivanov, Kirill E.

    2018-01-01

    A new Sillén - Aurivillius family of layered bismuth oxyhalides has been designed and successfully constructed on the basis of PbBiO2X (X = halogen) synthetic perites and γ-form of Bi2VO5.5 solid electrolyte. This demonstrates, for the first time, the ability of the latter to serve as a building block in construction of mixed-layer structures. The parent compound PbBi3VO7.5-δCl (δ ≤ 0.05) has been investigated by powder XRD, TEM, XPS methods and magnetic susceptibility measurements. An unexpected but important condition for the formation of the mixed-layer structure is partial (ca. 5%) reduction of VV into VIV which probably suppresses competitive formation of apatite-like Pb - Bi vanadates. This reduction also stabilizes the γ polymorphic form of Bi2VO5.5 not only in the intergrowth structure, but in Bi2V1-xMxO5.5-y (M = Nb, Sb) solid solutions.

  11. Adducts of UF5 with SbF5 and structure of UF5 . 2SbF5

    International Nuclear Information System (INIS)

    Sawodny, W.; Rediess, K.

    1980-01-01

    Both α-UF 5 and β-UF 5 form only a 1:2 compound UF 5 . 2SbF 5 reacting directly with SbF 5 , from which UF 5 . SbF 5 can be obtained by thermal decomposition. UF 5 . 2SbF 5 crystallizes in the monoclinic space group P2 1 /c with the following lattice constants a = 8.110(4), b = 14.129(6), c = 10.032(6) A and β = 96.97(5) 0 ; Z = 4. An X-ray study shows centrosymmetric four-membered rings of alternating UF 8 and SbF 6 polyhedra connected by other SbF 6 entities. This structure is similar to that of UOF 5 . 2SbF 5 , but the distorted pentagonal-bipyramidal coordination of the U atom found there is increased to a dodecahedral coordination by an additional U-F-Sb bridge, though with a somewaht larger UF distance. (author)

  12. Calculations of hyperfine parameters in antimony compounds

    International Nuclear Information System (INIS)

    Svane, A.

    2003-01-01

    The electron contact density and electric-field gradient on the Sb nuclear position is calculated in a series of 22 Sb compounds, comprising metallic, covalent as well as ionic Sb(III) and Sb(V) systems. The full-potential linear-muffin-tin-orbitals method is used with the local-density-approximation for exchange and correlation effects. By comparison with experimental 121 Sb and 123 Sb nuclear quadrupole resonance data and 121 Sb Moessbauer data, the calibration constants relating measured quadrupole coupling constants and isomer shifts to the electric-field gradient and the electron contact density, respectively, are derived. This leads to an accurate determination of the quadrupole moment of the 121 Sb nuclear ground state as Q=-66.9 fm 2 . The difference between the mean-square radius of the 121 Sb nucleus in its excited isomeric and ground states is found to be Δ 2 >=-0.0521 fm 2

  13. Solvothermal synthesis and analysis of Bi1-xSbx nanoparticles

    International Nuclear Information System (INIS)

    Sumithra, S.; Misra, D.K.; Wei, C.; Gabrisch, H.; Poudeu, P.F.P.; Stokes, K.L.

    2011-01-01

    Bismuth-antimony alloy nanoparticles have been synthesized by a facile solvothermal method using N,N-dimethylformamide and ethylene glycol as solvent/reducing agent; BiCl 3 , SbCl 3 and Bi(NO 3 ) 3 as precursors; and citric acid as a surface modifier/stabilizing agent. The particle size and size distribution of Bi nanoparticles were analyzed as a function of the synthesis conditions: molar ratio of precursor to surfactant, precursor concentration and reducing agent. Synthesis of Sb and Bi 0.88 Sb 0.12 under similar conditions was also investigated. The phase purity of nanoparticles was confirmed from X-ray diffraction and thermogravimetry and the nanoparticle morphology was investigated by transmission electron microscopy. A case study of Bi nanoparticles with detailed analysis of the particle morphology and size distribution of the nanoparticles is reported.

  14. Local structure and influence of bonding on the phase-change behavior of the chalcogenide compounds K{sub 1-} {sub x} Rb {sub x} Sb{sub 5}S{sub 8}

    Energy Technology Data Exchange (ETDEWEB)

    Wachter, J B [Department of Chemistry, Michigan State University, East Lansing, MI 48824 (United States); Chrissafis, K [Department of Physics, Aristotle University of Thessaloniki, 54124 Thessaloniki (Greece); Petkov, V [Department of Physics, Central Michigan University, Mount Pleasant, MI 48859 (United States); Malliakas, C D [Department of Chemistry, Michigan State University, East Lansing, MI 48824 (United States); Bilc, D [Department of Physics, Central Michigan University, Mount Pleasant, MI 48859 (United States); Kyratsi, Th [Department of Chemistry, Michigan State University, East Lansing, MI 48824 (United States); Paraskevopoulos, K M [Department of Physics, Aristotle University of Thessaloniki, 54124 Thessaloniki (Greece); Mahanti, S D [Department of Physics, Michigan State University, East Lansing, MI 48824 (United States); Torbruegge, T [Institut fuer Physikalische Chemie, Westf. Wilhelms-Universitaet Muenster (Germany); Eckert, H [Institut fuer Physikalische Chemie, Westf. Wilhelms-Universitaet Muenster (Germany); Kanatzidis, M.G. [Department of Chemistry, Michigan State University, East Lansing, MI 48824 (United States)], E-mail: m-kanatzidis@northwestern.edu

    2007-02-15

    KSb{sub 5}S{sub 8} and its solid solution analogs with Rb and Tl were found to exhibit a reversible and tunable glass{sup {yields}}crystal{sup {yields}}glass phase transition. Selected members of this series were analyzed by differential scanning calorimetry to measure the effect of the substitution on the thermal properties. The solid solutions K{sub 1-} {sub x} Rb {sub x} Sb{sub 5}S{sub 8} exhibited clear deviations in melting and crystallization behavior and temperatures from the parent structure. The crystallization process of the glassy KSb{sub 5}S{sub 8} as a function of temperature could clearly be followed with Raman spectroscopy. The thermal conductivity of both glassy and crystalline KSb{sub 5}S{sub 8} at room temperature is {approx}0.40 W/m K, among the lowest known values for any dense solid-state material. Electronic band structure calculations carried out on KSb{sub 5}S{sub 8} and TlSb{sub 5}S{sub 8} show the presence of large indirect band-gaps and confirm the coexistence of covalent Sb-S bonding and predominantly ionic K(Tl)...S bonding. Pair distribution function analyses based on total X-ray scattering data on both crystalline and glassy K{sub 1-} {sub x} Rb {sub x} Sb{sub 5}S{sub 8} showed that the basic structure-defining unit is the same and it involves a distorted polyhedron of 'SbS{sub 7}' fragment of {approx}7 A diameter. The similarity of local structure between the glassy and crystalline phases accounts for the facile crystallization rate in this system. - Graphical abstract: The KSb{sub 5}S{sub 8} is a good example of a phase-change material with a mixed ionic/covalent bonding. The members of the K{sub 1-} {sub x} Rb {sub x} Sb{sub 5}S{sub 8} series exhibit phase-change properties with greater glass forming ability (GFA) than KSb{sub 5}S{sub 8}. The GFA increases with increasing Rb content. In this case, the random alloy disorder in the alkali metal sublattice seems to predominate over the increased degree of ionicity in going from K

  15. [Sb{sub 4}Au{sub 4}Sb{sub 4}]{sup 2−}: A designer all-metal aromatic sandwich

    Energy Technology Data Exchange (ETDEWEB)

    Tian, Wen-Juan; You, Xue-Rui [Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, Taiyuan 030006 (China); Guo, Jin-Chang [Department of Chemistry, Xinzhou Teachers University, Xinzhou 034000 (China); Li, Da-Zhi, E-mail: hj.zhai@sxu.edu.cn, E-mail: ldz005@126.com [Department of Chemical Engineering, Binzhou University, Binzhou 256603 (China); Wang, Ying-Jin [Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, Taiyuan 030006 (China); Department of Chemistry, Xinzhou Teachers University, Xinzhou 034000 (China); Sun, Zhong-Ming [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Zhai, Hua-Jin, E-mail: hj.zhai@sxu.edu.cn, E-mail: ldz005@126.com [Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, Taiyuan 030006 (China); State Key Laboratory of Quantum Optics and Quantum Optics Devices, Shanxi University, Taiyuan 030006 (China)

    2016-07-28

    We report on the computational design of an all-metal aromatic sandwich, [Sb{sub 4}Au{sub 4}Sb{sub 4}]{sup 2−}. The triple-layered, square-prismatic sandwich complex is the global minimum of the system from Coalescence Kick and Minima Hopping structural searches. Following a standard, qualitative chemical bonding analysis via canonical molecular orbitals, the sandwich complex can be formally described as [Sb{sub 4}]{sup +}[Au{sub 4}]{sup 4−}[Sb{sub 4}]{sup +}, showing ionic bonding characters with electron transfers in between the Sb{sub 4}/Au{sub 4}/Sb{sub 4} layers. For an in-depth understanding of the system, one needs to go beyond the above picture. Significant Sb → Au donation and Sb ← Au back-donation occur, redistributing electrons from the Sb{sub 4}/Au{sub 4}/Sb{sub 4} layers to the interlayer Sb–Au–Sb edges, which effectively lead to four Sb–Au–Sb three-center two-electron bonds. The complex is a system with 30 valence electrons, excluding the Sb 5s and Au 5d lone-pairs. The two [Sb{sub 4}]{sup +} ligands constitute an unusual three-fold (π and σ) aromatic system with all 22 electrons being delocalized. An energy gap of ∼1.6 eV is predicted for this all-metal sandwich. The complex is a rare example for rational design of cluster compounds and invites forth-coming synthetic efforts.

  16. Optical response of confined excitons in GaInAsSb/GaSb Quantum Dots heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Sanchez-Cano, R [Departamento de Fisica, Universidad Autonoma de Occidente, A.A. 2790, Cali (Colombia); Tirado-Mejia, L; Fonthal, G; Ariza-Calderon, H [Laboratorio de Optoelectronica, Universidad del Quindio, A.A. 4603 Armenia (Colombia); Porras-Montenegro, N, E-mail: rsanchez40@gmail.co [Departamento de Fisica, Universidad del Valle, A.A. 25360, Cali (Colombia)

    2009-05-01

    The narrow-gap Ga{sub 1-x}In{sub x}As{sub y}Sb{sub 1-y} compounds are suitable materials for heterostructure devices operating in the infrared wavelength range. In these compounds grown by liquid phase epitaxy over GaSb single crystals, for x and y values in the range of 0.10 to 0.14 for both variables, the photoluminescence optical response at 12K is blue-shifted by 20 meV related to the photoreflectance response. We believe this behavior is due to possible higher electronic confinement in some places of the heterostructure, possibly formed in the interface during the growth process. In order to explain this behavior, in this work we study the exciton recombination energy in spherical Quantum Dots (QDs) on Ga{sub 1-x}In{sub x}As{sub y}Sb{sub 1-y}/GaSb, using the variational procedure within the effective-mass approximation and considering an electron in a Type I band alignment formed by two semiconductors with similar parabolic conduction bands. Our results are in good agreement with recent experimental results.

  17. Reactive ion etching of GaSb, (Al,Ga)Sb, and InAs for novel device applications

    International Nuclear Information System (INIS)

    LaTulipe, D.C.; Frank, D.J.; Munekata, H.

    1991-01-01

    Although a variety of novel device proposals for GaSb/(Al,Ga)Sb/InAs heterostructures have been made, relatively little is known about processing these materials. The authors of this paper have studied the reactive ion etching characteristics of GaSb, (Al,Ga)Sb, and InAs in both methane/hydrogen and chlorine gas chemistries. At conditions similar to those reported elsewhere for RIE of InP and GaAs in CH 4 /H 2 , the etch rate of (Al,Ga)Sb was found to be near zero, while GaSb and InAs etched at 200 Angstrom/minute. Under conditions where the etch mechanism is primarily physical sputtering, the three compounds etch at similar rates. Etching in Cl 2 was found to yield anistropic profiles, with the etch rate of (Al,Ga)Sb increasing with Al mole fraction, while InAs remains unetched. Damage to the InAs stop layer was investigated by sheet resistance and mobility measurements. These etching techniques were used to fabricate a novel InAs- channel FET composed of these materials. Several scanning electron micrographs of etching results are shown along with preliminary electrical characteristics

  18. Characterization of the Structural Modulations in n-type Bi{sub 2} (Te{sub 0}.95Se{sub 0}.05){sub 3} Thermoelectric Compound

    Energy Technology Data Exchange (ETDEWEB)

    Yoon, Sung Ho; Lee, Kap Ho [Chungnam National University, Daejeon (Korea, Republic of); Hong, Soon Jik [Kongju National University, Cheonan (Korea, Republic of)

    2015-02-15

    An n-type Bi{sub 2}Te{sub 3} thermoelectric compound was analyzed by using a high resolution transmission electron microscopy, and was further analyzed by using an image processing unit. A sinusoidal strain contrast of the structural modulations appeared in a multi-beam image and the fringes showed a wavelength of 12 nm with a wave vector parallel to the {101‾ 10} planes. A numerous dislocations were found to glide on to the (0001) plane with a Burgers vector of 1/3<21‾1‾0>-type on the strain field. In order for the elastic strain energy to be relieved, the resultant 1/3<21‾ 1‾0>-type dislocation was thought to be dissociated into two partial dislocations gliding on the {1‾015} planes. The variation in stacking periodicity of the 5-layers lamellar structure with respect to the basal plane of Bi{sub 2}Te{sub 3} was also observed locally. However, this stacking variation is not responsible for the formation of structural modulations. The displacement of the sinusoidal strain field on the structural modulations seems to be generated by dislocation, with presence of dipoles that are about a few nanometers apart. It is understandable that phonons should be scattered throughout the strain field of the structural modulation. Hence, the lattice thermal conductivity is expected to be decreased due to the phonon scattering on sinusoidal strain field of the structural modulations.

  19. Role of interlayer coupling for the power factor of CuSbS2 and CuSbSe2

    KAUST Repository

    Alsaleh, Najebah Mohammed Abdullah; Singh, Nirpendra; Schwingenschlö gl, Udo

    2016-01-01

    The electronic and transport properties of bulk and monolayer CuSbS2 and CuSbSe2 are determined by using density functional theory and semiclassical Boltzmann transport theory, in order to investigate the role of interlayer coupling for the thermoelectric properties. The calculated band gaps of the bulk compounds are in agreement with experiments and significantly higher than those of the monolayers, which thus show lower Seebeck coefficients. Since also the electrical conductivity is lower, the monolayers are characterized by lower power factors. Therefore, interlayer coupling is found to be essential for the excellent thermoelectric response of CuSbS2 and CuSbSe2, even though it is weak.

  20. Role of interlayer coupling for the power factor of CuSbS2 and CuSbSe2

    KAUST Repository

    Alsaleh, Najebah Mohammed Abdullah

    2017-01-08

    The electronic and transport properties of bulk and monolayer CuSbS2 and CuSbSe2 are determined by using density functional theory and semiclassical Boltzmann transport theory, in order to investigate the role of interlayer coupling for the thermoelectric properties. The calculated band gaps of the bulk compounds are in agreement with experiments and significantly higher than those of the monolayers, which thus show lower Seebeck coefficients. Since also the electrical conductivity is lower, the monolayers are characterized by lower power factors. Therefore, interlayer coupling is found to be essential for the excellent thermoelectric response of CuSbS2 and CuSbSe2, even though it is weak.

  1. Role of interlayer coupling for the power factor of CuSbS2 and CuSbSe2

    KAUST Repository

    Alsaleh, Najebah M.

    2016-09-26

    The electronic and transport properties of bulk and monolayer CuSbS2 and CuSbSe2 are determined by using density functional theory and semiclassical Boltzmann transport theory, in order to investigate the role of interlayer coupling for the thermoelectric properties. The calculated band gaps of the bulk compounds are in agreement with experiments and significantly higher than those of the monolayers, which thus show lower Seebeck coefficients. Since also the electrical conductivity is lower, the monolayers are characterized by lower power factors. Therefore, interlayer coupling is found to be essential for the excellent thermoelectric response of CuSbS2 and CuSbSe2, even though it is weak.

  2. New uranium chalcoantimonates, RbU{sub 2}SbS{sub 8} and KU{sub 2}SbSe{sub 8}, with a polar noncentrosymmetric structure

    Energy Technology Data Exchange (ETDEWEB)

    Choi, K S; Kanatzidis, M G

    1999-09-01

    The new compounds, RbU{sub 2}SbS{sub 8} and KU{sub 2}SbSe{sub 8}, were prepared as golden-black, blocklike crystals by the polychalcogenide molten flux method. RbU{sub 2}SbS{sub 8} has a two-dimensional character with layers running perpendicular to the c-axis. The coordination geometry around the U{sup 4+} atoms is best described as a bicapped trigonal prism. The trigonal prisms share triangular faces with neighboring prisms, forming one-dimensional columns along the a-axis. The columns are then joined to construct sheets by sharing capping S atoms. Sb{sup 3+} ions are sitting at the center of a slightly distorted seesaw coordination environment (CN = 4). Rb{sup +} ions are stabilized in 8-coordinate bicapped trigonal prismatic sites. KU{sub 2}SbSe{sub 8} has essentially the same structure as RbU{sub 2}SbS{sub 8}. However, Sb{sup 3+} and K{sup +} ions appear disordered in every other layer resulting in a different unit cell. RbU{sub 2}SbS{sub 8} is a semiconductor with a band gap of 1.38 eV. The band gap of KU{sub 2}SbSe{sub 8} could not be determined precisely due to the presence of overlapping intense f-f transitions in the region (0.5--1.1 eV). The Raman spectra show the disulfide stretching vibration in RbU{sub 2}SbS{sub 8} at 479 cm{sup {minus}1} and the diselenide stretching vibration in KU{sub 2}SbSe{sub 8} at 252 cm{sup {minus}1}. Magnetic susceptibility measurements indicate the presence of U{sup 4+} centers in the compounds. The compounds do not melt below 1,000 C under vacuum.

  3. Comparison of the electrochemical performance of mesoscopic Cu2Sb, SnSb and Sn/SnSb alloy powders

    International Nuclear Information System (INIS)

    Zhang Ge; Huang Kelong; Liu Suqin; Zhang Wei; Gong Benli

    2006-01-01

    Cu 2 Sb, SnSb and Sn/SnSb mesoscopic alloy powders were prepared by chemical reduction, respectively. The crystal structures and particle morphology of Cu 2 Sb, SnSb and Sn/SnSb were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM). The electrochemical performances of the Cu 2 Sb, SnSb and Sn/SnSb electrodes were investigated by galvanostatic charge and discharge cycling and electrochemical impedance spectroscopy (EIS). The results showed the first charge and discharge capacities of SnSb and Sn/SnSb were higher than Cu 2 Sb, but after 15 cycles, the charge capacity fading rates of Cu 2 Sb, Sn/SnSb and Sn/SnSb were 26.16%, 55.33% and 47.39%, respectively. Cu 2 Sb had a better cycle performance, and Sn/SnSb multiphase alloy was prior to pure SnSb due to the existence of excessive Sn in Sn/SnSb system

  4. Study of vortex dynamics with local magnetic relaxation measurements in the superconducting compound Bi2Sr2CaCu2O8

    International Nuclear Information System (INIS)

    Berry, St.

    2000-01-01

    This experimental study of the magnetic field-temperature phase diagram and of the vortex dynamics in high- T c superconductors focuses on Bismuth-based cuprates: Bi 2 Sr 2 CaCu 2 O 8 . In type-II superconductors, mixed state characterized by the presence of vortices (quanta of magnetic flux) is divided by a transition line determined by two features of magnetization loops. For T > 40 K, magnetization loops vs applied field show a step evidence of a first order transition. From 20 to 40 K, a second peak replacing the step correspond to an abrupt increase of irreversibility interpreted as a bulk current. We want to understand the nature of the second peak (thermodynamic or nonequilibrium property) and separate phenomena contributing to irreversibility (flux pinning, geometrical or surface effects). Magnetic measurement techniques are nondestructive and have a resolution of few microns. Bi 2 Sr 2 CaCu 2 O 8 single crystals are optimized by localizing defectives regions with a magneto-optic technique for flux imaging and elimination of these regions with a wire saw. Local magnetization loops and relaxation measurements performed with a microscopic Hall probe array allow to distinguish irreversibility sources. The shape of induction profiles indicates which current dominate between surface current and bulk pinning induced current. Two crossover with time and a direct observation of two phases coexistence in induction profiles enlighten phenomena in play. The measured electric field-current density characteristics lead to barrier energy U(j) controlling thermally activated flux motion. Three relations (U(j) (surface, bulk low and high field) explain second peak. (author)

  5. Atomic structure of the SbCu surface alloy: A surface X-ray diffraction study

    DEFF Research Database (Denmark)

    Meunier, I.; Gay, J.M.; Lapena, L.

    1999-01-01

    The dissolution at 400 degrees C of an antimony layer deposited at room temperature on a Cu(111) substrate leads to a surface alloy with a p(root 3x root 3)R 30 degrees x 30 degrees superstructure and a Sb composition of 1/3.We present here a structural study of this Sb-Cu compound by surface X...

  6. Topological surface states on Bi$_{1-x}$Sb$_x$

    DEFF Research Database (Denmark)

    Zhu, Xie-Gang; Hofmann, Philip

    2014-01-01

    Topological insulators support metallic surface states whose existence is protected by the bulk band structure. It has been predicted early that the topology of the surface state Fermi contour should depend on several factors, such as the surface orientation and termination and this raises the qu...

  7. 0+ analogue state in 118Sb from 117Sn(p,nγ) reaction

    International Nuclear Information System (INIS)

    Pal, J.; Dey, C.C.; Bose, S.; Sinha, B.K.; Chatterjee, M.B.; Mahapatra, D.P.

    1996-01-01

    The analogue of the 0 + ground state in 118 Sn has been observed in the compound nucleus 118 Sb through 117 Sn(p,nγ) 117 Sb reaction. The neutron decays of this analogue resonance have been studied from the deexciting γ-rays of the residual nucleus 117 Sb. From off resonance excitation functions, spin assignments have been made to states in 117 Sb, on the basis of Hauser-Feshbach formalism. The resonance parameters of the isobaric analogue resonance have been determined, including the total, proton and neutron decay widths. (orig.)

  8. Sorption of radionuclides from Pb-Bi melt. Report 1

    International Nuclear Information System (INIS)

    Konovalov, Eh.E.; Il'icheva, N.S.; Trifonova, O.E.

    2015-01-01

    Results of laboratory investigations of sorption and interfacial distribution of 54 Mn, 59 Fe, 60 Co, 106 Ru, 125 Sb, 137 Cs, 144 Ce, 154,155 Eu and 235,238 U radionuclides in the system Pb-Bi melt - steel surface are analyzed. It is shown that 106 Ru and 125 Sb are concentrated in Pb-Bi melt and other radionuclides with higher oxygen affinity are sorbed on oxide deposits on structural materials. Temperature dependences of sorption efficiency of radionuclides are studied. It is shown that there is sharp increase of this value for all radionuclides near the temperature range 350-400 deg C. Recommendations are given on the use of 106 Ru and 125 Sb as a reference for fuel element rupture detection system with radiometric monitoring of coolant melt samples and 137 Cs, 134 Cs, 134m Cs with radiometric monitoring of sorbing samples [ru

  9. Structural, chemical, and thermoelectric properties of Bi2Te3 Peltier materials. Bulk, thin films, and superlattices

    International Nuclear Information System (INIS)

    Peranio, Nicola

    2008-01-01

    In this work, the nature of the natural nanostructure (nns) was analysed and the correlations to the transport coefficients, particularly the lattice thermal conductivity, is discussed. Experimental methods are presented for the first time, yielding an accurate quantitative analysis of the chemical composition and of stress fields in Bi 2 Te 3 and in compounds with similar structural and chemical microstructures. This work can be subdivided as follows: (I) N-type Bi 2 (Te 0.91 Se 0.09 ) 3 and p-type (Bi 0.26 Sb 0.74 ) 1.98 (Te 0.99 Se 0.01 ) 3.02 bulk materials synthesised by the Bridgman technique. (II) Bi 2 Te 3 thin films and Bi 2 Te 3 /Bi 2 (Te 0.88 Se 0.12 ) 3 superlattices epitaxially grown by molecular beam epitaxy (MBE) on BaF 2 substrates with periods of δ-12 nm at the Fraunhofer-Institut fuer Physikalische Messtechnik (IPM). (III) Experimental methods, i.e., TEM specimen preparation, high-accuracy quantitative chemical analysis by EDX in the TEM, and image simulations of dislocations and the nns according to the two-beam dynamical diffraction theory. The nns was analysed in detail by stereomicroscopy and by image simulation and was found to be a pure sinusoidal displacement field with (i) a displacement vector parallel to and an amplitude of about 10 pm and (ii) a wave vector parallel to {1,0,10} and a wavelength of 10 nm. The results obtained here showed a significant amount of stress in the samples, induced by the nns which was still not noticed and identified. Both kinds of nanostructures, artificial (ans) and natural (nns) nanostructures, yielded in thermoelectric materials a low lattice thermal conductivity which was beneficial for the thermoelectric figure of merit ZT. (orig.)

  10. Topotactic synthesis of a new BiS2-based superconductor Bi2(O,F)S2

    OpenAIRE

    Okada, Tomoyuki; Ogino, Hiraku; Shimoyama, Jun-ichi; Kishio, Kohji

    2015-01-01

    A new BiS2-based superconductor Bi2(O,F)S2 was discovered. This is a layered compound consisting of alternate stacking structure of rock-salt-type BiS2 superconducting layer and fluorite-type Bi(O,F) blocking layer. Bi2(O,F)S2 was obtained as the main phase by topotactic fluorination of undoped Bi2OS2 using XeF2, which is the first topotactic synthesis of an electron-doped superconductor via reductive fluorination. With increasing F-content, a- and c-axis length increased and decreased, respe...

  11. Topotactic synthesis of a new BiS2-based superconductor Bi2(O,F)S2

    Science.gov (United States)

    Okada, Tomoyuki; Ogino, Hiraku; Shimoyama, Jun-ichi; Kishio, Kohji

    2015-02-01

    A new BiS2-based superconductor, Bi2(O,F)S2, was discovered. It is a layered compound consisting of alternately stacked structure of rock-salt-type BiS2 superconducting layers and fluorite-type Bi(O,F) blocking layers. Bi2(O,F)S2 was obtained as the main phase by topotactic fluorination of undoped Bi2OS2 using XeF2. This is the first topotactic synthesis of an electron-doped superconductor via reductive fluorination. With increasing F-content, a- and c-axis lengths increased and decreased, respectively, and Tc increased to 5.1 K.

  12. Electrochemical studies of CNT/Si–SnSb nanoparticles for lithium ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Nithyadharseni, P. [Department of Physics, Bannari Amman Institute of Technology, Sathyamangalam 638402 (India); Department of Physics, Advanced Batteries Lab, National University of Singapore, 117542 (Singapore); Reddy, M.V., E-mail: phymvvr@nus.edu.sg [Department of Physics, Advanced Batteries Lab, National University of Singapore, 117542 (Singapore); Nalini, B., E-mail: lalin99@rediffmail.com [Department of Physics, Avinashilingam University for Women, Coimbatore 641043 (India); Ravindran, T.R. [Centre for Research in Nanotechnology, Karunya University, Coimbatore 641114 (India); Pillai, B.C.; Kalpana, M. [Indira Gandhi Centre for Atomic Research (IGCAR), Kalpakkam 603102 (India); Chowdari, B.V.R. [Department of Physics, Advanced Batteries Lab, National University of Singapore, 117542 (Singapore)

    2015-10-15

    Highlights: • Si added SnSb and CNT exhibits very low particle size of below 30 nm • A strong PL quenching due to the addition of Si to SnSb. • Electrochemical studies show CNT added SnSb shows good capacity retention. - Abstract: Nano-structured SnSb, SnSb–CNT, Si–SnSb and Si–SnSb–CNT alloys were synthesized from metal chlorides of Sn, Sb and Si via reductive co-precipitation technique using NaBH{sub 4} as reducing agent. The as prepared compounds were characterized by various techniques such as X-ray diffraction (XRD), scanning electron microscope (SEM), Raman, Fourier transform infra-red (FTIR) and photoluminescence (PL) spectroscopy. The electrochemical performances of the compounds were characterized by galvanostatic cycling (GC) and cyclic voltammetry (CV). The Si–SnSb–CNT compound shows a high reversible capacity of 1200 mAh g{sup −1}. However, the rapid capacity fading was observed during cycling. In contrast, SnSb–CNT compound showed a high reversible capacity of 568 mAh g{sup −1} at 30th cycles with good cycling stability. The improved reversible capacity and cyclic performance of the SnSb–CNT compound could be attributed to the nanosacle dimension of SnSb particles and the structural advantage of CNTs.

  13. High pressure monoclinic phases of Sb{sub 2}Te{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Souza, S.M.; Poffo, C.M.; Triches, D.M. [Departamento de Engenharia Mecanica, Universidade Federal de Santa Catarina, Campus Universitario Trindade, S/N, C.P. 476, 88040-900 Florianopolis, Santa Catarina (Brazil); Lima, J.C. de, E-mail: fsc1jcd@fisica.ufsc.br [Departamento de Fisica, Universidade Federal de Santa Catarina, Campus Universitario Trindade, S/N, C.P. 476, 88040-900 Florianopolis, Santa Catarina (Brazil); Grandi, T.A. [Departamento de Fisica, Universidade Federal de Santa Catarina, Campus Universitario Trindade, S/N, C.P. 476, 88040-900 Florianopolis, Santa Catarina (Brazil); Polian, A.; Gauthier, M. [Physique des Milieux Denses, IMPMC, CNRS-UMR 7590, Universite Pierre et Marie Curie-Paris 6, 4 Place Jussieu, 75252 Paris Cedex 05 (France)

    2012-09-15

    The effect of pressure on nanostructured rhombohedral {alpha}-Sb{sub 2}Te{sub 3} (phase I) was investigated using X-ray diffraction (XRD) and Raman spectroscopy (RS) up to 19.2 and 25.5 GPa, respectively. XRD patterns showed two new high pressure phases (named phases II and III). From a Rietveld refinement of XRD patterns of {alpha}-Sb{sub 2}Te{sub 3}, the unit cell volume as a function of pressure was obtained and the values were fitted to a Birch-Murnaghan equation of state (BM-EOS). The best fit was obtained for bulk modulus B{sub 0}=36.1{+-}0.9 GPa and its derivative B{sub 0}{sup Prime }=6.2{+-}0.4 (not fixed). Using the refined structural data for {alpha}-Sb{sub 2}Te{sub 3}, for pressures up to 9.8 GPa, changes in the angle of succession [Te-Sb-Te-Sb-Te], in the interaromic distances of Sb and Te atoms belonging to this angle of succession and in the interatomic distances of atoms located on the c axis were examined. This analysis revealed an electronic topological transition (ETT) along the a and c axes at close to 3.7 GPa. From the RS spectra, the full widths at half maximum (FWHM) of the Raman active modes of {alpha}-Sb{sub 2}Te{sub 3} were plotted as functions of pressure and showed an ETT along the a and c axes at close to 3.2 GPa. The XRD patterns of phases II and III were well reproduced assuming {beta}-Bi{sub 2}Te{sub 3} and {gamma}-Bi{sub 2}Te{sub 3} structures similar to those reported in the literature for {alpha}-Bi{sub 2}Te{sub 3}.

  14. Microstructure evolution in pulsed laser deposited epitaxial Ge-Sb-Te chalcogenide thin films

    Energy Technology Data Exchange (ETDEWEB)

    Ross, Ulrich; Lotnyk, Andriy, E-mail: andriy.lotnyk@iom-leipzig.de; Thelander, Erik; Rauschenbach, Bernd

    2016-08-15

    The thin film deposition and structure of highly oriented telluride compounds is of particular interest for phase-change applications in next-generation non-volatile memory such as heterostructure designs, as well as for the investigation of novel optical, thermoelectric and ferroelectric properties in layered telluride compounds. In this work, epitaxial Ge-Sb-Te thin films were successfully produced by pulsed laser deposition on silicon with and without amorphous SiO{sub x} interlayer at elevated process temperatures from a Ge{sub 2}Sb{sub 2}Te{sub 5} target. Aberration-corrected high-resolution scanning transmission electron microscopy (STEM) imaging reveals a distinct interface configuration of the trigonal phase connected by a quasi van der Waals gap (vacancy) to the Sb/Te-passivated single crystalline Si substrate, yet also an intermediate textured growth regime in which the substrate symmetry is only weakly coupled to the thin film orientation, as well as strong deviation of composition at high deposition temperatures. Textured growth of Ge-Sb-Te thin film was also observed on SiO{sub x}/Si substrate with no evidence of an intermediate Sb/Te surface layer on top of an SiO{sub x} layer. In addition, particular defect structures formed by local reorganization of the stacking sequence across the vacancy gap are observed and appear to be intrinsic to these van der Waals-layered compounds. Theoretical image simulations of preferred stacking sequences can be matched to individual building blocks in the Ge-Sb-Te grain. - Highlights: • Atomic-resolution Cs-corrected STEM imaging of PLD deposited Ge-Sb-Te thin films. • Changing of overall composition with increasing deposition temperature. • Direct imaging of surface passivation Sb/Te layer at the Ge-Sb-Te/Si(111) interface. • The Sb/Te passivation layer is not a prerequisite for highly oriented growth of Ge-Sb-Te thin films.

  15. Study on Exploration of Azeotropic Point of Pb-Sb Alloys by Vacuum Distillation and Ab Initio Molecular Dynamic Simulation

    Science.gov (United States)

    Song, Bingyi; Jiang, Wenlong; Yang, Bin; Chen, Xiumin; Xu, Baoqiang; Kong, Lingxin; Liu, Dachun; Dai, Yongnian

    2016-10-01

    The possibility of the separation of Pb-Sb alloys by vacuum distillation was investigated theoretically. The results show that Pb and Sb can be separated by vacuum distillation. However, the experimental results show that vacuum distillation technique does not provide clear separation. According to the literature, Pb-Sb alloys belong to azeotropic compounds under some certain temperature; the experiment and computer simulation were carried out based on the exceptional condition so as to analyze the reason from the experiment and microstructure of Pb-Sb alloys perspective. The separation of Pb-Sb alloys by vacuum distillation was experimentally carried out to probe the azeotropic point. Also, the functions, such as partial radial distributions functions, the structure factor, mean square displacement, and the density of state, were calculated by ab-initio molecular dynamics for the representation of the structure and properties of Pb-Sb alloys with different composition of Sb. The experimental results indicate that there exists common volatilization for Pb-Sb alloys when Sb content is 16.5 wt pct. On the other hand, the calculation results show that there is an intense interaction between Pb and Sb when Sb content is 22 wt pct, which supports the experimental results although Sb content is slightly deviation.

  16. Sb{sup III} - Sb{sup V} Exchange Reaction in Hydrochloric: Acid Solutions; Echange Sb{sup III}-Sb{sup V} dans des Solutions d'Acide Chlorhydrique; Reaktsiya obmena Sb(III) - Sb(V) v rastvorakh khloristovodorodnoj kisloty; Intercambio Sb{sup III}-Sb{sup V} en Soluciones de HCl

    Energy Technology Data Exchange (ETDEWEB)

    Kambara, T.; Yamaguchi, K.; Yasuba, S. [Shizuoka University, Shizuoka City (Japan)

    1965-10-15

    the chloride concentration was increased to 3.0M by an addition of LiCl. It is noteworthy that an almost linear and sharp increase of the rate was observed until 2.0M chloride concentration. The above fact obtained at a constant hydrogen ion concentration suggests that the chloride atoms act as bridge formation atoms of the intermediate compound for the antimony exchange. To summarize these results, the existence of the maximum exchange rate at about 2.0M HCl concentration in a low HCl concentration region is thought to be well explained. (author) [French] En utilisant {sup 124}Sb comme radioindicateur, les auteurs ont etudie l'echange Sb{sup III} - Sb{sup V} dans des solutions diluees de HCl, notamment les effets de la concentration en HCl et de la forme chimique de l'antimoine sur la vitesse d'echange. Ils ont fait varier la concentration en HCl des solutions d'antimoine ((Sb{sup III}) =(Sb{sup V}) = 6.8 x 10{sup -4}M) de 0,8 a 4,0M et ils ont mesure le temps de demi-echange en tracant la courbe de log(1 - F) en fonction du temps t, en vue de calculer la vitesse d'echange, la reaction etant supposee du deuxieme ordre. Les auteurs ont constate que la vitesse d'echange augmentait fortement avec l'accroissement de la concentration en HCl (a 25 Degree-Sign C, de 0,8 a 2,0M); le maximum a ete atteint pour une concentration de 2,0M, apres quoi la vitesse a diminue avec l'augmentation de la concentration en HCl (a 25 Degree-Sign C, de 2,0 J 4,0M). Dans leurs recherches, les auteurs ont eu recours a deux Sb{sup V}; ils ont utilise le premier aussitot apres dilution dans l'eau d'une solution de Sb{sup V} dans HCl 10M, et la seconde apres avoir laisse reposer 24 heures a la temperature ambiante. (On a aussi laisse reposer les especes de Sb{sup III} apres les avoir preparees a partir d'une solution de Sb{sup III} dans HCl 10M). Dans les deux cas, les maximums ont ete atteints pour une concentration de 2,0M. Dans le premier cas (aussitot apres dilution), la vitesse R{sub 1

  17. CRYSTAL-QUASICHEMICAL ANALYSIS OF DEFECT SUBSYSTEM OF DOPED PbTe: Sb CRYSTALS AND Pb-Sb-Te SOLID SOLUTIONS

    Directory of Open Access Journals (Sweden)

    D.M. Freik

    2014-05-01

    Full Text Available Within crystalquasichemical formalism models of point defects of crystals in the Pb-Sb-Te system were specified. Based on proposed crystalquasichemical formulae of antimony doped crystals PbTe:Sb amphoteric dopant effect was explained. Mechanisms of solid solution formation for РbТе-Sb2Те3: replacement of antimony ions lead sites  with the formation of cation vacancies  (I or neutral interstitial tellurium atoms  (II were examined. Dominant point defects in doped crystals PbTe:Sb and РbТе-Sb2Те3 solid solutions based on p-PbTe were defined. Dependences of concentration of dominant point defects, current carriers and Hall concentration on content of dopant compound and the initial deviation from stoichiometry in the basic matrix were calculated.

  18. Physics of bandgap formation in Cu-Sb-Se based novel thermoelectrics: the role of Sb valency and Cu d levels.

    Science.gov (United States)

    Do, Dat; Ozolins, Vidvuds; Mahanti, S D; Lee, Mal-Soon; Zhang, Yongsheng; Wolverton, C

    2012-10-17

    In this paper we discuss the results of ab initio electronic structure calculations for Cu(3)SbSe(4) (Se4) and Cu(3)SbSe(3) (Se3), two narrow bandgap semiconductors of thermoelectric interest. We find that Sb is trivalent in both the compounds, in contrast to a simple nominal valence (ionic) picture which suggests that Sb should be 5 + in Se4. The gap formation in Se4 is quite subtle, with hybridization between Sb 5s and the neighboring Se 4s, 4p orbitals, position of Cu d states, and non-local exchange interaction, each playing significant roles. Thermopower calculations show that Se4 is a better p-type system. Our theoretical results for Se4 agree very well with recent experimental results obtained by Skoug et al (2011 Sci. Adv. Mater. 3 602).

  19. An experimental study on the geochemical behavior of highly siderophile elements (HSE) and metalloids (As, Se, Sb, Te, Bi) in a mss-iss-pyrite system at 650 °C: A possible magmatic origin for Co-HSE-bearing pyrite and the role of metalloid-rich phases in the fractionation of HSE

    Science.gov (United States)

    Cafagna, Fabio; Jugo, Pedro J.

    2016-04-01

    Pyrite, the most abundant sulfide in the Earth's crust, is an accessory mineral in several magmatic sulfide deposits. Although most pyrite is hydrothermal, previous experimental studies have shown that pyrite can also have a primary magmatic origin, by exsolving from monosulfide solid solution (mss) during cooling of a sulfide melt, if sulfur fugacity is sufficiently high. Pyrite from some localities has significant amounts of Co, and complex zonation in some low-melting-point chalcophile elements (LMCE), such as As, Se, Sb, Te, Bi (henceforth referred to as metalloids) and some platinum-group elements (PGE: Ru, Rh, Pd, Os, Ir, Pt). However, the origin of such pyrite and the causes of zonation are not clear. Because the distribution of some of these elements is heterogeneous and seems to be developed in concentric zones, the zonation has been interpreted to represent growth stages, some of them secondary and caused partly by hydrothermal fluids. Better constraints on the origin of Co-PGE-bearing pyrite could help unravel the geochemical processes affecting the sulfide assemblages in which it is found; thus, an experimental study was undertaken to characterize pyrite formation in magmatic sulfide environments and its relationship with metalloids and highly siderophile elements (HSE: PGE, Re, Au). Natural pyrrhotite, chalcopyrite, pentlandite and elemental S were mixed and doped with approximately 50 ppm of each HSE. A mixture of metalloids was added at 0.2 wt.% or 3 wt.% to aliquots of sulfide mixtures. Starting materials were sealed in evacuated silica tubes and fused at 1200 °C. The temperature was subsequently reduced to 750 °C (at 60 °C/h), then to 650 °C (at 0.5 °C/h) to produce relatively large euhedral pyrite crystals, then quenched. The experiments were analyzed using reflected light, SEM, EPMA and LA-ICP-MS. Experimental products contained euhedral pyrite, mss, intermediate solid solution (iss) and metalloid-rich phases, interpreted as quench product

  20. The new Zintl phases Eu{sub 21}Cd{sub 4}Sb{sub 18} and Eu{sub 21}Mn{sub 4}Sb{sub 18}

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yi; Darone, Gregory M.; Bobev, Svilen, E-mail: bobev@udel.edu

    2016-06-15

    Crystals of two new Zintl compounds, Eu{sub 21}Mn{sub 4}Sb{sub 18} and Eu{sub 21}Cd{sub 4}Sb{sub 18} have been synthesized using the molten metal flux method, and their structures have been established by single-crystal X-ray diffraction. Both compounds are isotypic and crystallize in the monoclinic space group C2/m (No. 12, Z=4). The structures are based on edge- and corner-shared MnSb{sub 4} or CdSb{sub 4} tetrahedra, which make octameric [Mn{sub 8}Sb{sub 22}] or [Cd{sub 8}Sb{sub 22}] polyanions. Homoatomic Sb–Sb bonds are present in both structures. The Eu atoms take the role of Eu{sup 2+}cations with seven unpaired 4f electrons, as suggested by the temperature-dependent magnetization measurements. The magnetic susceptibilities of Eu{sub 21}Mn{sub 4}Sb{sub 18} and Eu{sub 21}Cd{sub 4}Sb{sub 18} indicate that both phases order anti-ferromagnetically with Néel temperatures of ca. 7 K and ca. 10 K, respectively. The unpaired 3d electrons of the Mn atoms in Eu{sub 21}Mn{sub 4}Sb{sub 18} do contribute to the magnetic response, however, the bulk magnetization measurements do not provide evidence for long-range ordering of the Mn spins down to 5 K. Electrical resistivity measurements suggest that both compounds are narrow band gap semiconductors. - Graphical abstract: Eu{sub 21}Mn{sub 4}Sb{sub 18} and Eu{sub 21}Cd{sub 4}Sb{sub 18} have complex monoclinic structures, based on MnSb{sub 4} and CdSb{sub 4} tetrahedra, both edge- and corner-shared. A perspective of the crystal structure is shown, as viewed along the b axis. Display Omitted - Highlights: • Eu{sub 21}Mn{sub 4}Sb{sub 18} and Eu{sub 21}Cd{sub 4}Sb{sub 18} are novel compounds in the respective ternary phase diagrams. • For both structures, the Zintl-Klemm rules are followed, and both are small gap semiconductors. • Eu{sub 21}Mn{sub 4}Sb{sub 18} and Eu{sub 21}Cd{sub 4}Sb{sub 18} are air-stable Zintl phases and could be new thermoelectric materials.

  1. Sonochemical synthesis of bismuth(III) nano coordination compound and direct synthesis of Bi.sub.2./sub.O.sub.3./sub. nanoparticles from a bismuth(III) nano coordination compound precursor

    Czech Academy of Sciences Publication Activity Database

    Roodsari, M.S.; Shaabani, B.; Mirtamizdoust, B.; Dušek, Michal; Fejfarová, Karla

    2015-01-01

    Roč. 25, č. 5 (2015), s. 1226-1232 ISSN 1574-1443 Grant - others:AV ČR(CZ) Praemium Academiae Institutional support: RVO:68378271 Keywords : nano coordination compound * sonochemical method * intramolecular proton transfer * nano bismuth oxide * isoniazid Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.308, year: 2015

  2. Peculiarities of thermoelectric half-Heusler phase formation in Zr–Co–Sb ternary system

    Energy Technology Data Exchange (ETDEWEB)

    Romaka, V.V., E-mail: romakav@lp.edu.ua [Department of Applied Material Science and Materials Engineering, Lviv Polytechnic National University, Ustyyanovycha Str. 5, 79013 Lviv (Ukraine); Institut für Physikalische Chemie, Universität Wien, Währingerstr. 42, A-1090 Wien (Austria); Romaka, L. [Inorganic Chemistry Department, Ivan Franko Lviv National University, Kyryla and Mefodiya Str. 6, 79005 Lviv (Ukraine); Rogl, P. [Institut für Physikalische Chemie, Universität Wien, Währingerstr. 42, A-1090 Wien (Austria); Stadnyk, Yu. [Inorganic Chemistry Department, Ivan Franko Lviv National University, Kyryla and Mefodiya Str. 6, 79005 Lviv (Ukraine); Melnychenko, N. [Inorganic Chemistry Department, Ivan Franko Lviv National University, Kyryla and Mefodiya Str. 6, 79005 Lviv (Ukraine); Army Academy named after Hetman Petro Sahaydachnyi, Gvardijska Str. 32, 79012 Lviv (Ukraine); Korzh, R.; Duriagina, Z. [Department of Applied Material Science and Materials Engineering, Lviv Polytechnic National University, Ustyyanovycha Str. 5, 79013 Lviv (Ukraine); Horyn, A. [Inorganic Chemistry Department, Ivan Franko Lviv National University, Kyryla and Mefodiya Str. 6, 79005 Lviv (Ukraine)

    2014-02-05

    Highlights: • Phase relations for the Zr–Co–Sb system at 500 °C. • Homogeneity region for half-Heusler phase. • The distribution of DOS for Zr{sub 1+x}Co{sub 1−x}Sb predicts transition from semiconductor (x = 0) to metallic (x = 0.13) like behavior. • The existence of the solid solution Zr{sub 5}Co{sub x}Sb{sub 3+y} (x = 0.0–1.0, y = 0.0–1.0). -- Abstract: The phase equilibria in the Zr–Co–Sb ternary system were studied at 873 K by means of X-ray and metallographic analyses in the whole concentration range. The interaction between the elements results the formation of four ternary compounds at investigated temperature: ZrCoSb (MgAgAs-type), Zr{sub 6}CoSb{sub 2} (K{sub 2}UF{sub 6}-type), Zr{sub 5}CoSb{sub 3} (Hf{sub 5}CuSn{sub 3}-type) and Zr{sub 5}Co{sub 0.5}Sb{sub 2.5} (W{sub 5}Si{sub 3}-type). The limited composition Zr{sub 5}CoSb{sub 3} of the solid solution based on the Zr{sub 5}Sb{sub 3−4} binaries is considered as compound with Hf{sub 5}CuSn{sub 3} structure type. The influence of the disordering and defects in the crystal structure of ZrCoSb on the physical properties was analyzed. The performed electronic structure calculations are in good agreement with electrical and magnetic studies.

  3. Development of Bi-base high-temperature Pb-free solders with second-phase dispersion: Thermodynamic calculation, microstructure, and interfacial reaction

    Science.gov (United States)

    Takaku, Yoshikazu; Ohnuma, Ikuo; Kainuma, Ryosuke; Yamada, Yasushi; Yagi, Yuji; Nishibe, Yuji; Ishida, Kiyohito

    2006-11-01

    Bismuth and its alloys are candidates for Pb-free high-temperature solders that can be substituted for conventional Pb-rich Pb-Sn solders (melting point (mp) = 573 583 K). However, inferior properties such as brittleness and weak bonding strength should be improved for practical use. To that end, BiCu-X (X=Sb, Sn, and Zn) Pb-free high-temperature solders are proposed. Miscibility gaps in liquid BiCu-X alloys were surveyed using the thermodynamic database ADAMIS (alloy database for micro-solders), and compositions of the BiCu-X solders were designed on the basis of calculation. In-situ composite solders that consist of a Bi-base matrix with fine intermetallic compound (IMC) particles were produced by gas-atomizing and melt-spinning methods. The interfacial reaction between in-situ composite solders and Cu or Ni substrates was investigated. The IMCs at the interface formed a thin, uniform layer, which is an appropriate morphology for a reliable solder joint.

  4. Quantum Hall effect on top and bottom surface states of topological insulator (Bi1-xSbx)2Te3 films.

    Science.gov (United States)

    Yoshimi, R; Tsukazaki, A; Kozuka, Y; Falson, J; Takahashi, K S; Checkelsky, J G; Nagaosa, N; Kawasaki, M; Tokura, Y

    2015-04-14

    The three-dimensional topological insulator is a novel state of matter characterized by two-dimensional metallic Dirac states on its surface. To verify the topological nature of the surface states, Bi-based chalcogenides such as Bi2Se3, Bi2Te3, Sb2Te3 and their combined/mixed compounds have been intensively studied. Here, we report the realization of the quantum Hall effect on the surface Dirac states in (Bi1-xSbx)2Te3 films. With electrostatic gate-tuning of the Fermi level in the bulk band gap under magnetic fields, the quantum Hall states with filling factor ±1 are resolved. Furthermore, the appearance of a quantum Hall plateau at filling factor zero reflects a pseudo-spin Hall insulator state when the Fermi level is tuned in between the energy levels of the non-degenerate top and bottom surface Dirac points. The observation of the quantum Hall effect in three-dimensional topological insulator films may pave a way toward topological insulator-based electronics.

  5. Long-range order in InAsSb

    Science.gov (United States)

    Jen, H. R.; Ma, K. Y.; Stringfellow, G. B.

    1989-03-01

    Results are presented of transmission electron diffraction (TED) observations, demonstrating, for the first time, a CuPt-type ordering in InAs(1-x)Sb(x) alloys, over a wide range of x values (from x = 0.22 to 0.88). The InAsSb alloys were prepared by OMVPE on (001) oriented undoped InSb or InAs substrates. The ordering-induced spots on the TED patterns show the highest intensity for x of about 0.5 and the lowest intensity toward each binary end compound. Only two of the four variants are formed during growth. In some areas, the degree of order for these two variants, 1/2(-1 1 1) and 1/2(1 -1 1), is equal, and in other areas, one variant dominates.

  6. Electrochemical detection of volatile organic compounds using a Na{sub 3}Zr{sub 2}Si{sub 2}PO{sub 12}/Bi{sub 2}Cu{sub 0.1}V{sub 0.9}O{sub 5.35} heterojunction device

    Energy Technology Data Exchange (ETDEWEB)

    Kida, Tetsuya, E-mail: kida@mm.kyushu-u.ac.jp [Department of Energy and Material Sciences, Faculty of Engineering Sciences, Kyushu University, Kasuga-koen, Kasuga, Fukuoka 816-8580 (Japan); Morinaga, Naoki; Kishi, Shotaro [Department of Molecular and Material Sciences, Interdisciplinary Graduate School of Engineering Science, Kyushu University, Kasuga-Koen 6-1, Kasuga, Fukuoka 816-8580 (Japan); An, Ki-Mun; Sim, Kyoung-Won; Chae, Bu-Young [Department of Materials Science and Engineering, Pusan National University, 30 Jangjeon-dong, Geumjeong-gu, Busan 609-735 (Korea, Republic of); Kim, Jung-kwan [Education Center for Green Industry-friendly Fusion Technology (GIFT), Pusan National University, 30 Jangjeon-dong, Geumjeong-gu, Busan 609-735 (Korea, Republic of); Ryu, Bong-Ki [Department of Materials Science and Engineering, Pusan National University, 30 Jangjeon-dong, Geumjeong-gu, Busan 609-735 (Korea, Republic of); Shimanoe, Kengo [Department of Energy and Material Sciences, Faculty of Engineering Sciences, Kyushu University, Kasuga-koen, Kasuga, Fukuoka 816-8580 (Japan)

    2011-09-01

    Highlights: > A device combining a sodium ion conductor of NASICON (Na{sub 3}Zr{sub 2}Si{sub 2}PO{sub 12}) with an oxygen ion conductor of BiCuVOx (Bi{sub 2}Cu{sub 0.1}V{sub 0.9}O{sub 5.35}) was fabricated. > The device can electrochemically detect volatile organic compounds (VOCs). > The electrochemical oxidation of VOCs with oxide ions occurred as the sensing reaction. > The formation of an oxygen ion-conductive layer at the interface between NASICON and BiCuVOx was suggested. - Abstract: A fast sodium ion conductor, NASICON (Na{sub 3}Zr{sub 2}Si{sub 2}PO{sub 12}), has been widely used for gas sensor applications. In this study, we demonstrate that a device combining NASICON with an oxygen-ion conductor of BiCuVOx (Bi{sub 2}Cu{sub 0.1}V{sub 0.9}O{sub 5.35}) can electrochemically detect volatile organic compounds (VOCs), such as ethanol, formaldehyde, and toluene. The sensing electrode made of BiCuVOx was attached onto a sintered NASICON disk at high temperature to produce an interfacial layer that had a different morphology and composition from those of NASICON and BiCuVOx, as observed by scanning electron microscopy-energy dispersive X-ray spectroscopy analysis. The device in which NASICON was fitted with the BiCuVOx-based electrode was found to efficiently detect VOCs in ppm concentrations. The sensor signal (electromotive force) exceeded 100 mV in response to 10 ppm HCOH at 400 deg. C, demonstrating the high sensitivity of the device. It also exhibited a relatively quick response, reproducible and stable sensor signals, and high selectivity to VOCs. The sensor responses followed behavior typical for mixed-potential-type gas sensors based on oxygen-ion conductors. It was thus suggested that the electrochemical oxidation of VOCs with oxide ions took place at the interfacial oxygen ion-conductive layer that was formed by the reaction of NASICON with BiCuVOx.

  7. Understanding the Formation of Kinetically Stable Compounds and the Development of Thin Film Pair Distribution Function Analysis

    Science.gov (United States)

    Wood, Suzannah Rebecca

    Navigating the synthesis landscape poses many challenges when developing novel solid state materials. Advancements in both synthesis and characterization are necessary to facilitate the targeting of specific materials. This dissertation discusses the formation of chalcogenide heterostructures and their properties in the first part and the development of thin film pair distribution function analysis (tfPDF) in the second part. The heterostructures were formed by the self-assembly of designed precursors deposited by physical vapor deposition in a modulated elemental reactants approach, which provides the control and predictability to synthesis. Specifically, a series of (BiSe)1+delta(TiSe2) n, where n = 2,3,&4, were synthesized to explore the extent of charge transfer from the BiSe to TiSe2 layers. To further explore the role Bi plays in charge donation, a family of structurally similar compounds, (Bix Sn1-xSe)1+deltaTiSe2, where 0≥x≥1, were synthesized and characterized. Electrical measurements show doping efficiency decreases as x increases, correlated with the structural distortion and the formation of periodic antiphase boundaries containing Bi-Bi pairs. The first heterostructures composed of three unique structural types were synthesized and Bi2Se3 layer thickness was used to tune electrical properties and further explore charge transfer. To better understand the potential energy landscape on which these kinetically stable compounds exist, two investigations were undertaken. The first was a study of the formation and subsequent decomposition of [(BiSe)1+delta]n(TiSe2)n compounds, where n= 2&3, the second an investigation of precursor structure for thermodynamically stable FeSb2 and kinetically stable FeSb3. The second section describes the development of thin film pair distribution function analysis, a technique in which total scattering data for pair distribution function (PDF) analysis is obtained from thin films, suitable for local structure analysis

  8. Calorimetric investigation of Pb-Bi system

    International Nuclear Information System (INIS)

    Agarwal, Renu; Jat, Ram Avtar; Sen, B.K.

    2008-01-01

    Enthalpy increment of Pb 0.71 Bi 0.29 compound was determined using high temperature Calvet calorimeter. The data was fit into the following polynomial equation. ΔH(T-298.15 K) J/mol = -10384.96 + 39.23 T - 0.014T 2 - 18970/T. By precipitation method, the enthalpy of formation of the compound of composition Pb 0.68 Bi 0.32 at 448 K, from Pb(l) and Bi(l) was determined to be -2450± 50 J/mol and from Pb(s) and Bi(s) at 298.15 K was calculated to be 4047 J/mol. (author)

  9. Growth and characterization of an InSb infrared photoconductor on Si via an AlSb/GaSb buffer

    Science.gov (United States)

    Jia, Bo Wen; Tan, Kian Hua; Loke, Wan Khai; Wicaksono, Satrio; Yoon, Soon Fatt

    2018-05-01

    A 99.6% relaxed InSb layer is grown on a 6° offcut (1 0 0) Si substrate via an AlSb/GaSb buffer using molecular beam epitaxy (MBE). A 200 nm GaSb buffer is first grown on Si and the lattice mismatch between them is accommodated by an interfacial misfit (IMF) array consisting of uniformly distributed 90° misfit dislocations. Si delta doping is introduced during the growth of GaSb to reduce the density of threading dislocation. Subsequently, a 50 nm AlSb buffer is grown followed by a 0.8 μm InSb layer. The InSb layer exhibits a 300 K electron mobility of 22,300 cm2/Vs. An InSb photoconductor on Si is demonstrated with a photoconductive gain from 77 K to 200 K under a 700 °C maintained blackbody.

  10. Estimation of Bi induced changes in the direct E{sub 0} band gap of III–V-Bi alloys and comparison with experimental data

    Energy Technology Data Exchange (ETDEWEB)

    Samajdar, D.P., E-mail: dipprakash010@gmail.com; Dhar, S.

    2016-03-01

    Quantum dielectric Theory (QDT) is used to explain the band gap bowing effect observed in III–V-Bismides such as InSb{sub 1−x}Bi{sub x}, InAs{sub 1−x}Bi{sub x}, InP{sub 1−x}Bi{sub x}, GaSb{sub 1−x}Bi{sub x}, GaAs{sub 1−x}Bi{sub x} and GaP{sub 1−x}Bi{sub x.} The dependence of the direct E{sub 0} band gap for these alloys on Bi mole fraction is calculated using QDT which requires the evaluation of the bowing parameter c. The bowing parameter gives the deviation of the direct E{sub 0} band gap from the linear relationship of E{sub 0} with Bi mole fraction. The band gap reduction values obtained using QDT are compared with those calculated using Virtual Crystal approximation (VCA) and Valence Band Anticrossing (VBAC) model as well as with the reported experimental data and the results of the comparison shows excellent agreement.

  11. DWPF SB6 Initial CPC Flowsheet Testing SB6-1 TO SB6-4L Tests Of SB6-A And SB6-B Simulants

    International Nuclear Information System (INIS)

    Lambert, D.; Pickenheim, B.; Best, D.

    2009-01-01

    The Defense Waste Processing Facility (DWPF) will transition from Sludge Batch 5 (SB5) processing to Sludge Batch 6 (SB6) processing in late fiscal year 2010. Tests were conducted using non-radioactive simulants of the expected SB6 composition to determine the impact of varying the acid stoichiometry during the Sludge Receipt and Adjustment Tank (SRAT) and Slurry Mix Evaporator (SME) processes. The work was conducted to meet the Technical Task Request (TTR) HLW/DWPF/TTR-2008-0043, Rev.0 and followed the guidelines of a Task Technical and Quality Assurance Plan (TT and QAP). The flowsheet studies are performed to evaluate the potential chemical processing issues, hydrogen generation rates, and process slurry rheological properties as a function of acid stoichiometry. These studies were conducted with the estimated SB6 composition at the time of the study. This composition assumed a blend of 101,085 kg of Tank 4 insoluble solids and 179,000 kg of Tank 12 insoluble solids. The current plans are to subject Tank 12 sludge to aluminum dissolution. Liquid Waste Operations assumed that 75% of the aluminum would be dissolved during this process. After dissolution and blending of Tank 4 sludge slurry, plans included washing the contents of Tank 51 to ∼1M Na. After the completion of washing, the plan assumes that 40 inches on Tank 40 slurry would remain for blending with the qualified SB6 material. There are several parameters that are noteworthy concerning SB6 sludge: (1) This is the second batch DWPF will be processing that contains sludge that has had a significant fraction of aluminum removed through aluminum dissolution; (2) The sludge is high in mercury, but the projected concentration is lower than SB5; (3) The sludge is high in noble metals, but the projected concentrations are lower than SB5; and(4) The sludge is high in U and Pu - components that are not added in sludge simulants. Six DWPF process simulations were completed in 4-L laboratory-scale equipment using

  12. The role of the isolated 6s states in BiVO{sub 4} on the electronic and atomic structures

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Jie; Wang, Lin-Wang [Joint Center for Artificial Photosynthesis and Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2014-10-27

    BiVO{sub 4} is one of the most promising photoanodes for water-splitting applications. Similar to many d{sup 10} materials, where the full-shell d electrons are not directly involved in the bonding, the Bi 6s electrons form isolated low-energy bands in BiVO{sub 4}. By systematically altering the energy of the Bi 6s states, we find direct evidences that the isolated s states, through the s-p coupling, affect the BiVO{sub 4} properties, including valence band maximum position, charge density, and atomic structural distortion. We find that many good properties of BiVO{sub 4} for water splitting are related to the s-p coupling due to the existence of Bi 6s states. Based on this understanding, we propose that alloying Bi with Sb can enhance these properties, and hence improve the water-splitting efficiency.

  13. A Novel Framework Antimony (III) Phosphate: Synthesis and Structure of NaSb 3O 2(PO 4) 2

    Science.gov (United States)

    Adair, Brian A.; de Delgado, Graciela Díaz; Miguel Delgado, J.; Cheetham, Anthony K.

    2000-04-01

    The antimony (III) phosphate, NaSb3O2(PO4)2, is a framework structure built from SbIII and PV centers; orthorhombic, space group Pca21 (No. 29), a=13.944(3), b=6.6822(13), c=20.886(4) Å, V=1946.1(7) Å3, Z=8. Stereochemically active lone pairs of electrons associated with SbIIIO5 and SbIIIO4 polyhedra point into eight-ring channels, approximately 5×7 Å2, which dominate the architecture of the title compound. Charge-compensating sodium cations occupy the remaining space in the channels.

  14. Polymorphism and properties of Bi{sub 2}WO{sub 6} doped with pentavalent antimony

    Energy Technology Data Exchange (ETDEWEB)

    Kharitonova, E.P.; Belov, D.A. [M.V. Lomonosov Moscow State University, Leninskie Gory, 119991 Moscow (Russian Federation); Gagor, A.B.; Pietraszko, A.P. [W. Trzebiatowski Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Okólna 2, 50-950 Wrocław (Poland); Alekseeva, O.A. [Shubnikov Institute of Crystallography, Russian Academy of Sciences, Leninsky pr. 59, 119333 Moscow (Russian Federation); Voronkova, V.I., E-mail: voronk@polly.phys.msu.ru [M.V. Lomonosov Moscow State University, Leninskie Gory, 119991 Moscow (Russian Federation)

    2014-04-05

    Highlights: • The limit of Bi{sub 2}W{sub 1−x}Sb{sub x}O{sub 6−y} solid solutions is at x = 0.05. • Bi{sub 2}W{sub 1−x}Sb{sub x}O{sub 6−y} does not fully transform into high-temperature monoclinic phase. • Sb{sup 5+} has a weak effect on the temperatures of the ferroelectric transitions. • γ→γ{sup ‴} transition near 650 °C was observed as strong permittivity peak at 0.01–8 Hz. • The conductivity of Bi{sub 2}W{sub 0.96}Sb{sub 0.04}O{sub 6−y} at 800 °C reaches 0.02 S/cm. -- Abstract: Antimony-containing solid solutions isostructural with bismuth tungstate, Bi{sub 2}WO{sub 6}, have been prepared in air as polycrystalline samples by solid-state reactions and as single crystals by unseeded flux growth. The antimony in the solid solutions is in a pentavalent state and substitutes for tungsten in the structure of Bi{sub 2}WO{sub 6}. The Bi{sub 2}W{sub 1−x}Sb{sub x}O{sub 6−y} solid solutions have been shown to exist in the composition range 0 ⩽ x ⩽ 0.05. We have examined the effect of Sb{sup 5+} doping on the polymorphism and properties of Bi{sub 2}WO{sub 6}. In contrast to undoped Bi{sub 2}WO{sub 6}, antimony-substituted bismuth tungstate does not completely transform into its high-temperature, monoclinic phase at 960 °C and remains two-phase up to temperatures approaching its melting point. Antimony substitution for tungsten has a weak effect on the temperatures of the ferroelectric phase transitions. Heterovalent substitution of Sb{sup 5+} for W{sup 6+} is accompanied by the formation of extra oxygen vacancies and an increase in the electrical conductivity of the solid solutions by one to two orders of magnitude relative to undoped Bi{sub 2}WO{sub 6}.

  15. Ionothermal Synthesis, Structure, and Bonding of the Catena -Heteropolycation 1 ∞ [Sb 2 Se 2 ] +

    KAUST Repository

    Groh, Matthias F.

    2015-01-26

    The reaction of antimony and selenium in the Lewis-acidic ionic liquid 1-butyl-3-methyl-imidazolium tetrachloridoaluminate, [BMIm]Cl•4.7AlCl3, yielded dark-red crystals of [Sb2Se2]AlCl4. The formation starts above 160 ° C; at about 190 ° C, irreversible decomposition takes place. The compound crystallizes in the triclinic space group P 1¯ with a = 919.39(2) pm, b = 1137.92(3) pm, c = 1152.30(3) pm, α = 68.047(1)° , β = 78.115(1)° , γ = 72.530(1)° , and Z = 4. The structure is similar to that of [Sb2Te2]AlCl4 but has only half the number of crystallographically independent atoms. Polycationic chains 1∞ [Sb2Se2]+ form a pseudo-hexagonal arrangement along [011¯] ], which is interlaced by tetrahedral AlCl4 - groups. The catena-heteropolycation 1∞ [Sb2Se2]+ is a sequence of three different four-membered [Sb2Se2 ] rings. The chemical bonding scheme, established from the topological analysis of the real-space bonding indicator ELI-D, includes significantly polar covalent bonding in four-member rings withinthepolycation.Theringsareconnectedintoaninfinitechainbyhomonuclear non-polar Sb-Sb bonds and highly polar Sb-Se bonds. Half of the selenium atoms are three-bonded.

  16. Biocompatibility of GaSb thin films grown by RF magnetron sputtering

    Science.gov (United States)

    Nishimoto, Naoki; Fujihara, Junko; Yoshino, Katsumi

    2017-07-01

    GaSb may be suitable for biological applications, such as cellular sensors and bio-medical instrumentation because of its low toxicity compared with As (III) compounds and its band gap energy. Therefore, the biocompatibility and the film properties under physiological conditions were investigated for GaSb thin films with or without a surface coating. GaSb thin films were grown on quartz substrates by RF magnetron sputtering, and then coated with (3-mercaptopropyl) trimethoxysilane (MPT). The electrical properties, surface morphology, and crystal structure of the GaSb thin film were unaffected by the MPT coating. The cell viability assay suggested that MPT-coated GaSb thin films are biocompatible. Bare GaSb was particularly unstable in pH9 buffer. Ga elution was prevented by the MPT coating, although the Ga concentration in the pH 9 buffer was higher than that in the other solutions. The surface morphology and crystal structure were not changed by exposure to the solutions, except for the pH 9 buffer, and the thin film properties of MPT-coated GaSb exposed to distilled water and H2O2 in saline were maintained. These results indicate that MPT-coated GaSb thin films are biocompatible and could be used for temporary biomedical devices.

  17. The crystal structure of Cu9.1(1)TeSb3, a stuffed derivative of Cr3Si

    DEFF Research Database (Denmark)

    Søtofte, Inger; Makovicky, E.; Karup-Møller, Sven

    1998-01-01

    The intermetallic compound Cu9.1(1)TeSb3 prepared at 973 K is an ordered member of the solid solution Cu64Te31Sb5-Cu70Te8Sb22 which also exists, for more limited composition ranges, between 673 K and 1173 K. It is a stuffed derivative of the structure type A15 (Cr3Si). Te is surrounded by twelve 3....../4-occupied Cu-positions in the vertices of a cubically-deformed icosahedron (Cu-Te = 2.614 Å) which itself is nested in an Sb-icosahedron (Cu-Sb = 2.777 Å (x2) and 2.603 Å). The Sb array corresponds to the Cr array in Cr3Si....

  18. First-principles study of electronic structure of CuSbS{sub 2} and CuSbSe{sub 2} photovoltaic semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Maeda, T., E-mail: tmaeda@ad.ryukoku.ac.jp; Wada, T.

    2015-05-01

    We studied the features of CuSbS{sub 2} (CAS) and CuSbSe{sub 2} (CASe), two proposed photovoltaic compounds, and clarified their electronic structures by first-principles calculations and compared them to the chalcopyrite-type CuInSe{sub 2} results. For both CAS and CASe, the calculated enthalpies of formation of the chalcostibite phases were considerably lower than those of the chalcopyrite phases. Therefore, we considered that the chalcostibite phase is more stable for CAS and CASe. In their band structure calculated with the HSE06 hybrid functional, the valence band maxima of CAS and CASe were located at the Γ-point, and the conduction band minima were located at the R-point. Their second lowest conduction band was located at the Γ-point, whose energy level nearly equaled the R-point. For CAS (CASe), the partial density of the states shows the character of the Cu 3d and S 3p (Se 4p) orbitals at the top of the valence bands and the Sb 5p and S 3p (Se 4p) orbitals at the bottom of the conduction bands. The conduction bands of CAS and CASe have a p-orbital character (Sb 5p) that differs from the s-orbital character (In 5s) of CuInSe{sub 2}. It is for the reason that CAS and CASe do not have a chalcopyrite structure but a chalcostibite-type structure. The calculated absorption coefficient of CuSbS{sub 2} (10{sup 4}-10{sup 5} cm{sup −1}) is comparable to that of CuInSe{sub 2}. - Highlights: • We studied the features of CuSbS{sub 2} and CuSbSe{sub 2}, newly proposed photovoltaic compounds. • Chalcostibite phase is more stable in CuSbS{sub 2} and CuSbSe{sub 2}. • Band structures of CuSbS{sub 2} and CuSbS{sub 2} were calculated with HSE06 hybrid functional. • Absorption coefficient of chalcostibite-type CuSbS{sub 2} is comparable to that of CuInSe{sub 2}.

  19. Synthesis and vibrational spectrum of antimony phosphate, SbPO4.

    Science.gov (United States)

    Brockner, Wolfgang; Hoyer, Lars P

    2002-07-01

    SbPO4 was synthesized via a new route by reacting antimony metal with meta-phosphoric acid, (HPO3)n at high temperatures. The Raman and IR spectra of the title compound were recorded and the vibrational modes assigned on the basis of a factor group analysis. The internal vibrations are derived from tetrahedral PO4 units (approaching Sb[PO4]) by the correlation method, although the structure is polymeric and not ionic.

  20. Coherence Kondo gap in CeNiSn and CeRhSb

    International Nuclear Information System (INIS)

    Takabatake, T.; Nakamoto, G.; Tanaka, H.; Bando, Y.; Fujii, H.; Nishigori, S.; Goshima, H.; Suzuki, T.; Fujita, T.; Oguro, I.; Hiraoka, T.; Malik, S.K.

    1994-01-01

    CeNiSn and CeRhSb are Kondo-lattice compounds showing the behavior of a small-gap semiconductor at temperatures below 7 K. We review and discuss the magnetic, transport and specific-heat measurements performed on single crystals of CeNiSn and polycrystals of CeRhSb. Prerequisites for gap formation are deduced from the effects of substitution and application of a magnetic field and pressure on the gapped state. ((orig.))

  1. Development of MnBi permanent magnet: Neutron diffraction of MnBi powder

    Energy Technology Data Exchange (ETDEWEB)

    Cui, J., E-mail: jun.cui@pnnl.gov; Choi, J. P.; Li, G.; Polikarpov, E.; Darsell, J. [Energy and Environment Directorate, Pacific Northwest National Laboratory, Richland, Washington 99354 (United States); Kramer, M. J.; Zarkevich, N. A.; Wang, L. L.; Johnson, D. D. [Materials Sciences and Engineering Division, Ames Laboratory, Ames, Iowa 50011 (United States); Marinescu, M. [Electron Energy Corporation, Landisville, Pennsylvania 17538 (United States); Huang, Q. Z.; Wu, H. [NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899-6102 (United States); Vuong, N. V.; Liu, J. P. [Department of Physics, University of Texas at Arlington, Arlington, Texas 76019 (United States)

    2014-05-07

    MnBi attracts great attention in recent years for its great potential as permanent magnet materials. MnBi phase is difficult to obtain because of the rather drastic peritectic reaction between Mn and Bi. In this paper, we report our effort on synthesizing high purity MnBi compound using conventional powder metallurgical approaches. Neutron diffraction was carried out to investigate the crystal and nuclear structure of the obtained powder. The result shows that the purity of the obtained powder is about 91 wt. % at 300 K, and the magnetic moment of the Mn atom in MnBi lattice is 4.424 and 4.013 μ{sub B} at 50 K and 300 K, respectively.

  2. Development of MnBi permanent magnet: Neutron diffraction of MnBi powder

    Energy Technology Data Exchange (ETDEWEB)

    Cui, J; Choi, JP; Li, G; Polikarpov, E; Darsell, J; Kramer, MJ; Zarkevich, NA; Wang, LL; Johnson, DD; Marinescu, M; Huang, QZ; Wu, H; Vuong, NV; Liu, JP

    2014-05-07

    MnBi attracts great attention in recent years for its great potential as permanent magnet materials. MnBi phase is difficult to obtain because of the rather drastic peritectic reaction between Mn and Bi. In this paper, we report our effort on synthesizing high purity MnBi compound using conventional powder metallurgical approaches. Neutron diffraction was carried out to investigate the crystal and nuclear structure of the obtained powder. The result shows that the purity of the obtained powder is about 91 wt. % at 300 K, and the magnetic moment of the Mn atom in MnBi lattice is 4.424 and 4.013 mu(B) at 50 K and 300 K, respectively. (C) 2014 AIP Publishing LLC.

  3. Structural, elastic and magnetic properties of Mn and Sb doped chromium nitride – An ab initio study

    Energy Technology Data Exchange (ETDEWEB)

    Ikram Un Nabi Lone; Sheik Sirajuddeen M Mohamed, E-mail: msheiksiraj@bsauniv.ac.in; Shameem Banu, I.B.; Sathik Basha, S.

    2017-05-01

    Structural, magnetic and elastic properties of Mn and Sb doped CrN were investigated by the electronic band structure calculations using Full Potential Linear Augmented Plane Wave (FP-LAPW) method. The host compound CrN was doped with Mn and Sb separately, in the doping concentration of 12.5% to replace Cr atoms. The introduction of Mn and Sb atoms replacing the Cr atoms does not change the structural stability of the compound. The changes in magnetic and elastic properties were investigated and compared in GGA and GGA+U methods. The doped CrN undergoes a relative increase in the magnetic order with the substitution of Mn and Sb atoms. In GGA method, the magnetic moments are found to be greater in Mn doped CrN than that found in Sb doped Cr{sub 0.875}NSb{sub 0.125}. When doped with Sb, the elastic moduli such as Young’s modulus, bulk modulus and rigidity modulus show a relative increase in comparison with that in Mn doped CrN. Using Hubbard model in GGA+U method, both the magnetic and elastic properties increase in Mn and Sb doped compounds. - Highlights: • Mn and Sb doped Chromium Nitride. • Structural properties. • Magnetic properties. • Elastic properties.

  4. High pressure synthesis of BiS2

    DEFF Research Database (Denmark)

    Søndergaard-Pedersen, Simone; Nielsen, Morten Bormann; Bremholm, Martin

    crystal structures and electrical properties.1,2 Up until now, the most sulfur rich phase in the Bi-S phase diagram was Bi2S3.3 For BiS2 the Bi atoms have anisotropic charge distribution and more complex structures are expected when comparing the layered structures of transition metal dichalcogenides....... The possibilities of using high pressure synthesis to discover new phases in the Bi-S binary system were investigated as early as the 1960’s.4 The research led to discovery of a compound with BiS2 stoichiometry, but no structure solution of BiS2 was reported. A reason behind making this new phase is to study...... the physical properties since the related compound Bi2S3 is known to be a thermoelectric material.5 In this research the BiS2 compound was synthesized by a high pressure and high temperature method using a multi-anvil large volume press and the structure was solved by single crystal diffraction. The structure...

  5. Bi-Force

    DEFF Research Database (Denmark)

    Sun, Peng; Speicher, Nora K; Röttger, Richard

    2014-01-01

    of pairwise similarities. We first evaluated the power of Bi-Force to solve dedicated bicluster editing problems by comparing Bi-Force with two existing algorithms in the BiCluE software package. We then followed a biclustering evaluation protocol in a recent review paper from Eren et al. (2013) (A...... comparative analysis of biclustering algorithms for gene expressiondata. Brief. Bioinform., 14:279-292.) and compared Bi-Force against eight existing tools: FABIA, QUBIC, Cheng and Church, Plaid, BiMax, Spectral, xMOTIFs and ISA. To this end, a suite of synthetic datasets as well as nine large gene expression...

  6. Distribution, speciation and availability of antimony (Sb) in soils and terrestrial plants from an active Sb mining area

    International Nuclear Information System (INIS)

    Okkenhaug, Gudny; Zhu Yongguan; Luo Lei; Lei Ming; Li Xi; Mulder, Jan

    2011-01-01

    Here, we present one of the first studies investigating the mobility, solubility and the speciation-dependent in-situ bioaccumulation of antimony (Sb) in an active Sb mining area (Xikuangshan, China). Total Sb concentrations in soils are high (527-11,798 mg kg -1 ), and all soils, including those taken from a paddy field and a vegetable garden, show a high bioavailable Sb fraction (6.3-748 mg kg -1 ), dominated by Sb(V). Elevated concentrations in native plant species (109-4029 mg kg -1 ) underpin this. Both chemical equilibrium studies and XANES data suggest the presence of Ca[Sb(OH) 6 ] 2 , controlling Sb solubility. A very close relationship was found between the citric acid extractable Sb in plants and water or sulfate extractable Sb in soil, indicating that citric acid extractable Sb content in plants may be a better predictor for bioavailable Sb in soil than total acid digestible Sb plant content. - Highlights: → Antimony (Sb) in soils from an active Sb mining area is highly bioavailable. → Sb occurs mainly as Sb(V) in Sb mining impacted soils and plants. → Sb solubility in Sb mining impacted soils is governed by Ca[Sb(OH) 6 ] 2 . → Citric acid extractable Sb in plants and bioavailable Sb in soils are strongly correlated. - Antimony (Sb) in soils from an active Sb mining area is highly bioavailable and controlled by the solubility of calcium antimonate.

  7. Discovery of highly spin-polarized conducting surface states in the strong spin-orbit coupling semiconductor Sb2Se3

    Science.gov (United States)

    Das, Shekhar; Sirohi, Anshu; Kumar Gupta, Gaurav; Kamboj, Suman; Vasdev, Aastha; Gayen, Sirshendu; Guptasarma, Prasenjit; Das, Tanmoy; Sheet, Goutam

    2018-06-01

    Majority of the A2B3 -type chalcogenide systems with strong spin-orbit coupling (SOC), such as Bi2Se3,Bi2Te3 , and Sb2Te3 , etc., are topological insulators. One important exception is Sb2Se3 where a topological nontrivial phase was argued to be possible under ambient conditions, but such a phase could be detected to exist only under pressure. In this paper, we show that Sb2Se3 like Bi2Se3 displays a generation of highly spin-polarized current under mesoscopic superconducting point contacts as measured by point-contact Andreev reflection spectroscopy. In addition, we observe a large negative and anisotropic magnetoresistance of the mesoscopic metallic point contacts formed on Sb2Se3 . Our band-structure calculations confirm the trivial nature of Sb2Se3 crystals and reveal two trivial surface states one of which shows large spin splitting due to Rashba-type SOC. The observed high spin polarization and related phenomena in Sb2Se3 can be attributed to this spin splitting.

  8. Behavior of GaSb (100) and InSb (100) surfaces in the presence of H{sub 2}O{sub 2} in acidic and basic cleaning solutions

    Energy Technology Data Exchange (ETDEWEB)

    Seo, Dongwan; Na, Jihoon; Lee, Seunghyo; Lim, Sangwoo, E-mail: swlim@yonsei.ac.kr

    2017-03-31

    Highlights: • Surface behavior of GaSb and InSb was investigated in acidic and basic solutions. • H{sub 2}O{sub 2} plays a key role in the surface oxidation of GaSb and InSb in acidic hydrochloric acid/hydrogen peroxide mixture (HPM) solution. • GaSb and InSb surfaces were hardly oxidized in basic ammonium hydroxide/hydrogen peroxide mixture (APM) solution in the presence of H{sub 2}O{sub 2}. • The effect of dilution of APM solution on the oxidation of the InSb surface was minimal. • Surface characteristics of GaSb and InSb in HPM and APM solutions are mainly determined by the behaviors of the group III elements rather than the group V element. - Abstract: Gallium antimonide (GaSb) and indium antimonide (InSb) have attracted strong attention as new channel materials for transistors due to their excellent electrical properties and lattice matches with various group III–V compound semiconductors. In this study, the surface behavior of GaSb (100) and InSb (100) was investigated and compared in hydrochloric acid/hydrogen peroxide mixture (HPM) and ammonium hydroxide/hydrogen peroxide mixture (APM) solutions. In the acidic HPM solution, surface oxidation was greater and the etching rates of the GaSb and InSb surfaces increased when the solution is concentrated, which indicates that H{sub 2}O{sub 2} plays a key role in the surface oxidation of GaSb and InSb in acidic HPM solution. However, the GaSb and InSb surfaces were hardly oxidized in basic APM solution in the presence of H{sub 2}O{sub 2} because gallium and indium are in the thermodynamically stable forms of H{sub 2}GaO{sub 3}{sup −} and InO{sub 2}{sup −}, respectively. When the APM solution was diluted, however, the Ga on the GaSb surface was oxidized by H{sub 2}O, increasing the etching rate. However, the effect of dilution of the APM solution on the oxidation of the InSb surface was minimal; thus, the InSb surface was less oxidized than the GaSb surface and the change in the etching rate of InSb

  9. Photocatalytic properties of KBiO3 and LiBiO3 with tunnel structures

    Indian Academy of Sciences (India)

    ning Electron Microscopy (SEM), BET surface area analysis and Diffuse Reflectance Spectroscopy (DRS). The. XRD patterns ... The SEM images reveal micron size polyhedral shaped ... based compounds such as BiVO4, Bi2WO6, Bi2MoO6,.

  10. Synthesis and characterization of nanometer sized thermoelectric lead-antimony-silver-tellurium compounds and related materials

    International Nuclear Information System (INIS)

    Petri, Denis

    2012-01-01

    The present dissertation deals with different variants of synthesis and processing of nanocrystalline composites of various thermoelectric compounds based on lead telluride including LAST-m (AgPb m SbTe m+2 ), LASTT-m-x (AgPb m-x Sn x SbTe m+2 ), LABST-m-x (AgPb m Sb 1-x Bi x Te m+2 ), doped LAST-m and (PbTe) m (M 15 2 Te 3 ) and the characterization thereof. A new route of manufacturing nanocrystalline composites was developed. The so called co-ball milling-route includes the synthesis of bi- or multinary compounds by conventional solid state melting methods followed by combined milling of appropriate amounts in a planetary ball mill; a process related to the widely used mechanical alloying of elemental powders. The as produced powders were shortly annealed for one hour and a.erwards compacted either at room temperature followed by pressureless sintering or combined application of high pressure and elevated temperatures via spark-plasma-sintering or short-term-sintering. The ball milling yielded micron-sized agglomerates consisting of crystallites with diameters ranging from 10 to 50 nm. These crystallites exhibited complicated internal nanostructures severe crystal defects as a consequence of the high energy processing. During short-term annealing some grain coarsening occured and the crystal defects partly healed, which was confirmed by TEM and HRTEM investigations as well as profile analysis of XRD powder pattern. Local EDX-analysis showed different compositions at every point as a consequence of synthesis and decomposition of the compounds. Measurements of thermopower, electrical and thermal conductivity were carried out and the values of the figure of merit ZT and the powerfactor were calculated. In general the compounds exhibited larger thermopower than corresponding bulk materials, which might be attributed to energy filtering of charge carriers at partly oxidized grain boundaries. Due to enhanced phonon scattering at grain boundarys, nanoscopic

  11. Bonding in ZnSb

    DEFF Research Database (Denmark)

    Bjerg, Lasse; Madsen, Georg K. H.; Iversen, Bo Brummerstedt

    Thermoelectric materials are capable of converting waste heat into usable electric energy. The conversion efficiency depends critically on the electronic band structure. Theoretical calculations predict the semiconducting ZnSb to have a promising efficiency if it is n-doped. The details of the lo......Thermoelectric materials are capable of converting waste heat into usable electric energy. The conversion efficiency depends critically on the electronic band structure. Theoretical calculations predict the semiconducting ZnSb to have a promising efficiency if it is n-doped. The details...... of the lowest conduction band have therefore been investigated. Electrons placed in the lowest conduction band are predicted to increase the bonding between second nearest neighbour atoms. This causes a lowering of the energy at special points in the first Brillouin zone. Thereby, the dispersion of the lowest...

  12. [sup 205]Bi/[sup 206]Bi cyclotron production from Pb-isotopes for absorption studies in humans

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, R.; Dresow, B.; Heinrich, H.C. (Universitaetskrankenhaus Eppendorf, Hamburg (Germany). Abt. Medizinische Biochemie); Wendel, J.; Bechtold, V. (Kernforschungszentrum Karlsruhe GmbH (Germany). Inst. fuer Kernphysik)

    1993-12-01

    Pb(p,xn) thick target excitation functions were measured in the energy range 10-38 MeV in order to optimize the production of isotopically pure radiobismuth from [sup nat]Pb, [sup 206]Pb, and [sup 207]Pb. Additionally, the decay of Po-isotopes from deuteron irradiation of natural bismuth ([sup 209]Bi) was exploited for radiobismuth production. [sup 205]Bi was produced from [sup 206]Pb at 20 MeV with only 2% of [sup 206]Bi at 4 weeks post irradiation. Bismuth compounds as used in the treatment of peptic ulcer were labeled with [sup 205]Bi for absorption studies in animals and subjects. (Author).

  13. Zintl-phases with layer anions: preparation and crystal structures of the isotypic compounds SrSn sub 2 As sub 2 and Sr sub 0. 87 Ba sub 0. 13 Sn sub 2 As sub 2 and a single crystal structure determination of KSnSb. Zintl-Phasen mit Schichtanionen: Darstellung und Kristallstrukturen der isotypen Verbindungen SrSn sub 2 As sub 2 und Sr sub 0,87 Ba sub 0,13 Sn sub 2 As sub 2 sowie eine Einkristallstrukturbestimmung von KSnSb

    Energy Technology Data Exchange (ETDEWEB)

    Eisenmann, B; Klein, J [Abt. 2 fuer Anorganische Chemie, Technische Hochschule Darmstadt (Germany)

    1991-06-01

    The metallic reflecting compounds SrSn{sub 2}As{sub 2} and Sr{sub 0.87}Ba{sub 0.13}Sn{sub 2}As{sub 2} were prepared from the melt, they crystallize in the trigonal rhombohedral system (space group R3m, Z = 3) with lattice constants see ''Inhaltsuebersicht''. In the crystal structure of the isotypic compounds threebonded Sn atoms and threebonded As atoms together form puckered layers which are isostructural to grey As. The mean values of the bond lengths Sn -- As are 277.6 pm (SrSn{sub 2}As{sub 2}) and 279.1 pm (Sr{sub 0.87}Ba{sub 0.13}Sn{sub 2}As{sub 2}) resp. Along (001) the alkaline earth atoms occupy the octahedral interstices of As atoms between each second SnAs layer. The single crystal structure determination of KSnSb confirms the results of the X-ray powder analysis, but leads to slightly different values for the bond lengths.

  14. Effects of Radiative Recombination and Photon Recycling on Minority Carrier Lifetime in Epitaxial GaINAsSb Lattice-matched to GaSb

    International Nuclear Information System (INIS)

    S Anikeev; D Donetsky; G Belenky; S Luryl; CA Wang; DA Shiau; M Dashiell; J Beausang; G Nichols

    2004-01-01

    Radiative coefficient (B) is a fundamental recombination parameter which is of importance for a variety of optoelectronic minority carrier devices. Radiative recombination was comprehensively studied for wide-bandgap III-V compounds, while for 0.5-0.6 eV materials experimental data are quite limited and demonstrate significant spreading. Here we report excess carrier lifetime in isotype double heterostructures (DHs) of 0.54-eV p-GaInAsSb capped with p-AlGaAsSb, and grown lattice-matched to GaSb. Lifetime was measured by time-resolved photoluminescence (dynamic lifetime) as well as by optical response to sinusoidal excitation (static lifetime). Wide range of GaInAsSb layer thickness was used to separate contributions from interface and radiative recombination processes. Radiative coefficient and recombination velocity at GaInAsSb/AlGaAsSb heterointerface were determined. Temperature dependence of lifetime demonstrated significant contribution of radiative effects to the total recombination

  15. Self-diffusion in 69Ga121Sb/71Ga123Sb isotope heterostructures

    OpenAIRE

    Bracht, H.; Nicols, S. P.; Haller, E. E.; Silveira, Juan Pedro; Briones Fernández-Pola, Fernando

    2001-01-01

    Gallium and antimony self-diffusion experiments have been performed in undoped 69Ga121Sb/71Ga123Sb isotope heterostructures at temperatures between 571 and 708 °C under Sb- and Ga-rich ambients. Ga and Sb profiles measured with secondary ion mass spectrometry reveal that Ga diffuses faster than Sb by several orders of magnitude. This strongly suggests that the two self-atom species diffuse independently on their own sublattices. Experimental results lead us to conclude that Ga and Sb diffusio...

  16. Relaxation phenomena and host exchange parameters in Tm van Vleck compounds

    International Nuclear Information System (INIS)

    Zevin, V.; Levin, R.; Shaltiel, D.; Baberschke, K.; Davidov, D.

    1977-01-01

    The ESR linewidth of Gd in TmP (measured by Sugawara et al (Phys. Rev.; B11 (1975)) TmSb and TmBi (measured in the present work and by Davidov and Baberschke (Phys. Lett.; A51:144 (1975)) exhibits an appreciable temperature dependence. This behaviour is attributed to the fluctuation spectra of the host Tm ions. The previous theory (Davidov et al (Phys. Rev.; B15:2771 (1977)) for impurity relaxation in weakly coupled van Vleck paramagnets based on the Bloch-Redfield kinetic equation is extended here and applied to the interpretation of the ESR linewidth in the Tm pnictides. In particular the second moment calculation of the host fluctuation spectra has been extended to include both pair correlation and autocorrelation contributions. Explicit expressions are given for Tm and Pr cubic van Vleck compounds. Using the crystalline field as extracted from independent neutron scattering techniques and the Gd-Tm exchange from the ESR g shift, the Tm-Tm host exchange has been estimated by fitting theory to the experimental results. The host exchange parameter in TmSb is very small confirming previous studies on this compound. (author)

  17. New antiferromagnetic semiconductor CuCr1.5Sb0.5S4

    International Nuclear Information System (INIS)

    Kesler, Ya.A.; Koroleva, L.I.; Mikheev, M.G.; Odintsov, A.G.; Filimonov, D.S.

    1993-01-01

    New halcogenide compound with spinel-antiferromagnetic semiconductor CuCr 1.5 Sb 0.5 S 4 are obtained and studied for the first time. Magnetic properties of this compound, namely, magnetization linear dependence, maximum on PHI(T) curve in the low-temperature area and realization of the Curie-Weis law for paramagnetic susceptibility with negative paramagnetic temperature testiby to the fact that this compound is antiferromagnetic

  18. Electronic structure of the BiSI cluster

    International Nuclear Information System (INIS)

    Audzijonis, A.; Gaigalas, G.; Zigas, L.; Pauliukas, A.; Zaltauskas, R.; Cerskus, A.; Narusis, J.; Kvedaravicius, A.

    2007-01-01

    The energy levels of valence bands (VB) and core levels (CL) of the BiSI crystals have been investigated theoretically. The molecular model of this crystal was used for calculation of VB and CL by the unrestricted Hartree-Fock method using GAMESS program, with Hw and MINI basis set. The molecular cluster consisting of 20 molecules of BiSI was used for calculations of averaged total density of states including atom vibrations. The spectra of averaged total density of states from VB of BiSI cluster has been compared with experimental X-ray photoelectron spectra (XPS) of VB of SbSI crystal. The results clarify that the atomic vibrations is one of possible reasons for the smoother appearance of the experimental XPS. The investigation of vibrational spectrum reveals new experimental information about the reflection spectrum of BiSI crystals. The cluster model calculations have shown that the splitting of the CL in the BiSI may be caused by the photoelectron emission from the atoms at the surface that is in different valence states. The cluster model calculation showed that splitting energy of CL depends on difference of ionic charges of the same atoms at the edges of BiSI cluster

  19. Electronic structure of the BiSI cluster

    Energy Technology Data Exchange (ETDEWEB)

    Audzijonis, A. [Department of Physics, Vilnius Pedagogical University, Studentu 39, LT-08106 Vilnius (Lithuania); Gaigalas, G. [Department of Physics, Vilnius Pedagogical University, Studentu 39, LT-08106 Vilnius (Lithuania); Institute of Theoretical Physics and Astronomy, Vilnius University, A. Gostauto 12, LT-01108 Vilnius (Lithuania); Zigas, L. [Department of Physics, Vilnius Pedagogical University, Studentu 39, LT-08106 Vilnius (Lithuania)]. E-mail: kkol@vpu.lt; Pauliukas, A. [Department of Physics, Vilnius Pedagogical University, Studentu 39, LT-08106 Vilnius (Lithuania); Zaltauskas, R. [Department of Physics, Vilnius Pedagogical University, Studentu 39, LT-08106 Vilnius (Lithuania); Cerskus, A. [Department of Physics, Vilnius Pedagogical University, Studentu 39, LT-08106 Vilnius (Lithuania); Narusis, J. [Department of Physics, Vilnius Pedagogical University, Studentu 39, LT-08106 Vilnius (Lithuania); Institute of Theoretical Physics and Astronomy, Vilnius University, A. Gostauto 12, LT-01108 Vilnius (Lithuania); Kvedaravicius, A. [Department of Physics, Vilnius Pedagogical University, Studentu 39, LT-08106 Vilnius (Lithuania)

    2007-03-15

    The energy levels of valence bands (VB) and core levels (CL) of the BiSI crystals have been investigated theoretically. The molecular model of this crystal was used for calculation of VB and CL by the unrestricted Hartree-Fock method using GAMESS program, with Hw and MINI basis set. The molecular cluster consisting of 20 molecules of BiSI was used for calculations of averaged total density of states including atom vibrations. The spectra of averaged total density of states from VB of BiSI cluster has been compared with experimental X-ray photoelectron spectra (XPS) of VB of SbSI crystal. The results clarify that the atomic vibrations is one of possible reasons for the smoother appearance of the experimental XPS. The investigation of vibrational spectrum reveals new experimental information about the reflection spectrum of BiSI crystals. The cluster model calculations have shown that the splitting of the CL in the BiSI may be caused by the photoelectron emission from the atoms at the surface that is in different valence states. The cluster model calculation showed that splitting energy of CL depends on difference of ionic charges of the same atoms at the edges of BiSI cluster.

  20. Self-diffusion in 69Ga121Sb/71Ga123Sb isotope heterostructures

    Science.gov (United States)

    Bracht, H.; Nicols, S. P.; Haller, E. E.; Silveira, J. P.; Briones, F.

    2001-05-01

    Gallium and antimony self-diffusion experiments have been performed in undoped 69Ga121Sb/71Ga123Sb isotope heterostructures at temperatures between 571 and 708 °C under Sb- and Ga-rich ambients. Ga and Sb profiles measured with secondary ion mass spectrometry reveal that Ga diffuses faster than Sb by several orders of magnitude. This strongly suggests that the two self-atom species diffuse independently on their own sublattices. Experimental results lead us to conclude that Ga and Sb diffusion are mediated by Ga vacancies and Sb interstitials, respectively, and not by the formation of a triple defect proposed earlier by Weiler and Mehrer [Philos. Mag. A 49, 309 (1984)]. The extremely slow diffusion of Sb up to the melting temperature of GaSb is proposed to be a consequence of amphoteric transformations between native point defects which suppress the formation of those native defects which control Sb diffusion. Preliminary experiments exploring the effect of Zn indiffusion at 550 °C on Ga and Sb diffusion reveal an enhanced intermixing of the Ga isotope layers compared to undoped GaSb. However, under the same conditions the diffusion of Sb was not significantly affected.

  1. On the electronic structure and thermoelectric properties of BiTeBr and BiTeI single crystals and of BiTeI with the addition of BiI3 and CuI

    International Nuclear Information System (INIS)

    Kulbachinskii, Vladimir A.; Kytin, Vladimir G.; Kudryashov, Alexey A.; Kuznetsov, Alexei N.; Shevelkov, Andrei V.

    2012-01-01

    The electronic structures were calculated for BiTeBr and BiTeI using the density-functional theory approach and accounting for the strong spin–orbital interaction. Qualitatively, the band structures for two compounds are similar, showing strong mixing of the p states of all elements in vicinity of the Fermi level, with the band gaps of 0.595 and 0.478 eV for BiTeBr and BiTeI, respectively. The optimized crystal structures show a tendency for the Bi–X (X=Br, I) bond elongation compared to the Bi–Te one. Both compounds are intrinsic n-type semiconductors but display a metallic-like conductivity coupled to rather large thermopower, which is rationalized within the frames of the acoustic phonons scattering model. Because of larger thermopower BiTeBr exhibits a twice higher thermoelectric figure-of-merit near room temperature, ZT=0.17, compared to BiTeI. The addition of 1 mass% of BiI 3 or CuI to BiTeI decreases the mobility of electrons by two orders of magnitude, leading to significantly lower electrical conductivity, but at the same time effectively reduces the thermal conductivity. The prospects of further enhancing the thermoelectric efficiency are briefly discussed. - Graphical abstract: View of the crystal structure of BiTeBr is shown in the figure The optimized crystal structures show a tendency for the Bi–X (X=Br, I) bond elongation compared to the Bi–Te one. The electronic structures were calculated for BiTeBr and BiTeI using the density-functional theory approach and accounting for the strong spin–orbital interaction. Qualitatively, the band structures for two compounds are similar, showing strong mixing of the p states of all elements in vicinity of the Fermi level, with the band gaps of 0.595 and 0.478 eV for BiTeBr and BiTeI, respectively. Both compounds are intrinsic n-type semiconductors but display a metallic-like conductivity coupled to rather large thermopower, which is rationalized within the frames of the acoustic phonons scattering

  2. Synthesis, crystal structure, and physical properties of the Gd{sub 3}BiO{sub 3} and Gd{sub 8}Bi{sub 3}O{sub 8} phases

    Energy Technology Data Exchange (ETDEWEB)

    Forbes, Scott; Yuan, Fang [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario, Canada L8S 4M1 (Canada); Kosuda, Kosuke; Kolodiazhnyi, Taras [Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); Mozharivskyj, Yurij, E-mail: mozhar@mcmaster.ca [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario, Canada L8S 4M1 (Canada)

    2016-01-15

    The second and third known rare-earth bismuthide oxides, Gd{sub 3}BiO{sub 3} and Gd{sub 8}Bi{sub 3}O{sub 8}, have been discovered via high temperature reactions at 1300 °C. Like its Gd–Sb–O counterparts, the Gd{sub 3}BiO{sub 3} and Gd{sub 8}Bi{sub 3}O{sub 8} phases crystallize in the monoclinic C2/m space group, with the latter containing disordered Bi atoms along the b direction of the unit cell. Unlike the RE{sub 8}Sb{sub 3}O{sub 8} series, the formation of the Gd{sub 3}BiO{sub 3} phase does not necessarily precede the formation of Gd{sub 8}Bi{sub 3}O{sub 8}, which is likely due to the difficulty of accommodating bismuth in the RE–O framework due to its larger size. Physical property measurements performed on a pure Gd{sub 8}Bi{sub 3}O{sub 8} sample reveal semiconducting behavior. Although electronic structure calculations predict metallic behavior due to an unbalanced electron count, the semiconducting behavior originates from the Anderson localization of the Bi p states near the Fermi level as a result of atomic disorder. - Graphical abstract: Reaction of GdBi and Gd{sub 2}O{sub 3} at high temperatures yields Gd–Bi–O phases. - Highlights: • Gd{sub 3}BiO{sub 3} and Gd{sub 8}Bi{sub 3}O{sub 8}, the second and third rare-earth bismuthide oxides, have been discovered. • Gd{sub 3}BiO{sub 3} and Gd{sub 8}Bi{sub 3}O{sub 8} are isostructural with RE{sub 3}SbO{sub 3} and RE{sub 8}Sb{sub 3}O{sub 8}. • Gd{sub 8}Bi{sub 3}O{sub 8} displays semiconducting behavior despite an unbalanced electron count. • Anderson localization of Bi p states results in semiconducting behavior in Gd{sub 8}Bi{sub 3}O{sub 8}.

  3. Compound floating pivot micromechanisms

    Science.gov (United States)

    Garcia, Ernest J.

    2001-04-24

    A new class of tilting micromechanical mechanisms have been developed. These new mechanisms use compound floating pivot structures to attain far greater tilt angles than are practical using other micromechanical techniques. The new mechanisms are also capable of bi-directional tilt about multiple axes.

  4. Sequential and simultaneous adsorption of Sb(III) and Sb(V) on ferrihydrite: Implications for oxidation and competition.

    Science.gov (United States)

    Qi, Pengfei; Pichler, Thomas

    2016-02-01

    Antimony (Sb) is a naturally occurring element of growing environmental concern whose toxicity, adsorption behavior and other chemical properties are similar to that of arsenic (As). However, less is known about Sb compared to As. Individual and simultaneous adsorption experiments with Sb(III) and Sb(V) were conducted in batch mode with focus on the Sb speciation of the remaining liquid phase during individual Sb(III) adsorption experiments. The simultaneous adsorption and oxidation of Sb(III) was confirmed by the appearance of Sb(V) in the solution at varying Fe/Sb ratios (500, 100 and 8) and varying pH values (3.8, 7 and 9). This newly formed Sb(V) was subsequently removed from solution at a Fe/Sb ratio of 500 or at a pH of 3.8. However, more or less only Sb(V) was observed in the liquid phase at the end of the experiments at lower Fe/Sb ratios and higher pH, indicating that competition took place between the newly formed Sb(V) and Sb(III), and that Sb(III) outcompeted Sb(V). This was independently confirmed by simultaneous adsorption experiments of Sb(III) and Sb(V) in binary systems. Under such conditions, the presence of Sb(V) had no influence on the adsorption of Sb(III) while Sb(V) adsorption was significantly inhibited by Sb(III) over a wide pH range (4-10). Thus, in the presence of ferrihydrite and under redox conditions, which allow the presence of both Sb species, Sb(V) should be the dominant species in aquatic environments, since Sb(III) is adsorbed preferentially and at the same time oxidized to Sb(V). Copyright © 2015 Elsevier Ltd. All rights reserved.

  5. A new experimental phase diagram investigation of Cu-Sb.

    Science.gov (United States)

    Fürtauer, Siegfried; Flandorfer, Hans

    The binary system Cu-Sb is a constituent system that is studied in investigations of technically important ternary and quaternary alloy systems (e.g., casting alloys and lead-free solders). Although this binary system has been thoroughly investigated over the last century, there are still some uncertainties regarding its high-temperature phases. Thus, parts of its phase diagram have been drawn with dashed lines in reviews published in the literature. The aim of this work was to resolve these uncertainties in the current phase diagram of Cu-Sb by performing XRD, SEM-EDX, EPMA, and DTA. The results from thermal analysis agreed well with those given in the literature, although some modifications due to the invariant reaction temperatures were necessary. In particular, reactions located on the Cu-rich side of the nonquenchable high-temperature β phase (BiF 3 -type) left considerable scope for interpretation. Generally, the structural descriptions of the various binary phases given in the literature were verified. The range of homogeneity of the ε phase (Cu 3 Ti type) was found to be higher on the Sb-rich side. Most of the reaction temperatures were verified, but a few had to be revised, such as the eutectoid reaction [Formula: see text] at 440 °C (found to occur at 427 °C in this work) and the eutectoid reaction [Formula: see text] at 400 °C (found to occur at 440 °C in this work). Further phase transformations that had previously only been estimated were confirmed, and their characteristic temperatures were determined.

  6. Redundant Sb condensation on GaSb epilayers grown by molecular beam epitaxy during cooling procedure

    International Nuclear Information System (INIS)

    Arpapay, B.; Şahin, S.; Arıkan, B.; Serincan, U.

    2014-01-01

    The effect of four different cooling receipts on the surface morphologies of unintentionally-doped GaSb epilayers on GaSb (100) substrates grown by molecular beam epitaxy is reported. Those receipts include three different Sb beam equivalent pressure (BEP) levels and two different termination temperatures. Surface morphologies of epilayers were examined by wet etching, surface profiler, atomic force microscopy, scanning electron microscopy and Raman spectroscopy. The results demonstrate that during the cooling period, a Sb BEP of 4.00 × 10 −4 Pa at a termination temperature of 400 °C induces a smooth surface without Sb condensation whereas same Sb BEP at a termination temperature of 350 °C forms a 300 nm thick Sb layer on the surface. In addition, it is revealed that by applying a wet etching procedure and using a surface profiler it is possible to identify this condensed layer from the two-sloped feature of mesa profile. - Highlights: • Sb beam flux termination temperature is crucial for redundant Sb condensation. • Sb beam flux level has a role on the thickness of redundant condensed Sb layer. • Redundant Sb layer thickness can be measured by two-sloped mesa structure

  7. New Insight on Tuning Electrical Transport Properties via Chalcogen Doping in n-type Mg3Sb2-Based Thermoelectric Materials

    DEFF Research Database (Denmark)

    Zhang, Jiawei; Song, Lirong; Borup, Kasper

    2018-01-01

    n-type Mg3Sb1.5Bi0.5 has recently been discovered to be a promising thermoelectric material, yet the effective n-type dopants are mainly limited to the chalcogens. This may be attributed to the limited chemical insight into the effects from different n-type dopants. By comparing the effects of di...

  8. Density functional simulations of Sb-rich GeSbTe phase change alloys

    OpenAIRE

    Gabardi, S; Caravati, S; Bernasconi, M; Parrinello, M

    2012-01-01

    We generated models of the amorphous phase of Sb rich GeSbTe phase change alloys by quenching from the melt within density functional molecular dynamics. We considered the two compositions Ge 1Sb 1Te 1 and Ge 2Sb 4Te 5. Comparison with previous results on the most studied Ge 2Sb 2Te 5 allowed us to draw some conclusions on the dependence of the structural properties of the amorphous phase on the alloy composition. Vibrational and electronic properties were also scrutinized. Phonons at high fr...

  9. Dissimilatory Sb(V) reduction by microorganisms isolated from Sb-contaminated sediment

    Science.gov (United States)

    Dovick, M. A.; Kulp, T. R.

    2013-12-01

    Mining and smelting are major sources of trace metal contamination in freshwater systems. Arsenic (As) is a common contaminant derived from certain mining operations and is a known toxic metalloid and carcinogen. Antimony (Sb) is listed as a pollutant of priority interest by the EPA and is presumed to share similar geochemical and toxicological properties with arsenic. Both elements can occur in four different oxidation states (V, III, 0, and -III) under naturally occurring conditions. In aqueous solutions As(V) and Sb(V) predominate in oxygenated surface waters whereas As(III) and Sb(III) are stable in anoxic settings. Numerous studies have examined microbiological redox pathways that utilize As(V) as a terminal electron acceptor for anaerobic respiration, however there have been few studies on microbial mechanisms that may affect the biogeochemical cycling of Sb in the environment. Here we report bacterial reduction of Sb(V) to Sb(III) in anoxic enrichment cultures and bacterial isolates grown from sediment collected from an Sb contaminated pond at a mine tailings site in Idaho (total pond water Sb concentration = 235.2 +/- 136.3 ug/L). Anaerobic sediment microcosms (40 mL) were established in artificial freshwater mineral salt medium, amended with millimolar concentrations of Sb(V), acetate or lactate, and incubated at 27°C for several days. Antimony(V), lactate, and acetate concentrations were monitored during incubation by High Performance Liquid Chromatography (HPLC) and Ion Chromatography (IC). Live sediment microcosms reduced millimolar amendments of Sb(V) to Sb(III) coupled to the oxidation of acetate and lactate, while no activity occurred in killed controls. Enrichment cultures were established by serially diluting Sb(V)-reducing microcosms in mineral salt medium with Sb(V) and acetate, and a Sb(V)-reducing bacterial strain was isolated by plating on anaerobic agar plates amended with millimolar Sb(V) and acetate. Direct cell counting demonstrated that

  10. New superconductor LaRhSb

    International Nuclear Information System (INIS)

    Nishigori, S.; Moriwaki, H.; Suzuki, T.; Fujita, T.; Tanaka, H.; Takabatake, T.; Fujii, H.

    1994-01-01

    Superconductivity in LaRhSb was newly found below the transition temperature T c = 2.67 K by the measurements of the electrical resistivity, magnetic susceptibility and specific heat in magnetic fields. The characteristics of the superconductivity determined in this study indicate that LaRhSb is a type II superconductor following the BCS theory. (orig.)

  11. Microstructure and thermoelectric properties of doped p-type CoSb3 under TGZM effect

    Science.gov (United States)

    Wang, Hongqiang; Li, Shuangming; Li, Xin; Zhong, Hong

    2017-05-01

    The Co-96.9 wt% Sb hypoeutectic alloy doped by 0.12 wt% YbFe was solidified in a Bridgman-type furnace based on temperature gradient zone melting (TGZM) effect. A mushy zone was observed between the complete liquid zone and the solid zone at different thermal stabilization time ranging from 15 min to 40 h. The mushy-zone solidified microstructures of the alloy only consist of CoSb3 and Sb phase. After 40 h thermal stabilization time, the volume fraction of CoSb3 in the mushy zone increases significantly up to 99.6% close to the solid-liquid interface. The hardness and fracture toughness of doped CoSb3 can reach 7.01 ± 0.69 GPa and 0.78 ± 0.08 MPa·m1/2, respectively. Meanwhile, the thermoelectric properties of the alloy were measured ranging from room temperature (RT) to 850 K. The Seebeck coefficient of the specimen prepared by TGZM effect after 40 h could reach 155 μV/K and the ZT value is 0.47 at 660 K, showing that it is feasible to prepare CoSb3 bulk material via TGZM effect. As a simple and one-step solidification method, the TGZM technique could be applied in the preparation of skutterudite compounds.

  12. Solid Liquid Interdiffusion Bonding of Zn4Sb3 Thermoelectric Material with Cu Electrode

    Science.gov (United States)

    Lin, Y. C.; Lee, K. T.; Hwang, J. D.; Chu, H. S.; Hsu, C. C.; Chen, S. C.; Chuang, T. H.

    2016-10-01

    The ZnSb intermetallic compound may have thermoelectric applications because it is low in cost and environmentally friendly. In this study, a Zn4Sb3 thermoelectric element coated with a Ni barrier layer and a Ag reaction layer was bonded with a Ag-coated Cu electrode using a Ag/Sn/Ag solid-liquid interdiffusion bonding process. The results indicated that a Ni5Zn21 intermetallic phase formed easily at the Zn4Sb3/Ni interface, leading to sound adhesion. In addition, Sn film was found to react completely with the Ag layer to form a Ag3Sn intermetallic layer having a melting point of 480°C. The resulting Zn4Sb3 thermoelectric module can be applied at the optimized operation temperature (400°C) of Zn4Sb3 material as a thermoelectric element. The bonding strengths ranged from 14.9 MPa to 25.0 MPa, and shear tests revealed that the Zn4Sb3/Cu-joints fractured through the interior of the thermoelectric elements.

  13. Influence of Ce in magnetic behaviour of CeCrSb3

    International Nuclear Information System (INIS)

    Inamdar, Manjusha; Thamizhavel, A.; Ramakrishnan, S.; Das, Amitabh; Prokes, Karel

    2009-01-01

    RCrSb 3 (R = rare earth ion) presents us a system to study magnetic interplay of d moments of Cr and f moments of rare earth ions. These compounds crystallize in orthorhombic structure, space group Pbcm. The crystal structure is highly anisotropic, with a axes being twice as long as band c. It has quasi two dimensional structure with layers of RSb and CrSb 2 stacked along a axis. Cr is surrounded by Sb ions forming face(edge) sharing octahedra along c(b) axes. The dual magnetic transitions exhibited by Cr in LaCrSb 3 , arouses interest in RCrSb 3 series. LaCrSb 3 undergoes FM transition below 123 K and on further lowering of temperature exhibits an AFM transition below 100 K with moments oriented along c axes. The AFM phase vanishes with application of small field of 1kOe. The coexistence of FM exchange along b and a axes with AFM exchange along c axis below 100 K is interesting. However, the magnetization along a axis is very small

  14. Facile Preparation of g-C3N4 Modified BiOCl Hybrid Photocatalyst and Vital Role of Frontier Orbital Energy Levels of Model Compounds in Photoactivity Enhancement

    Czech Academy of Sciences Publication Activity Database

    Shi, S.; Gondal, M.A.; Al-Saadi, A.A.; Fajgar, Radek; Kupčík, Jaroslav; Chang, X.; Shen, K.; Xu, Q.; Seddigi, Z.S.

    2014-01-01

    Roč. 416, FEB 15 (2014), s. 212-219 ISSN 0021-9797 Grant - others:KFUPM(CN) MIT11109; KFUPM(CN) MIT11110; NNSFCH(CN) 51172044; NSFJP(CN) BK2011617 Institutional support: RVO:67985858 Keywords : g-C3N4 * BiOCl * hybrid photocatalyst * gaussian 03 program * frontier orbital energy Subject RIV: CH - Nuclear ; Quantum Chemistry Impact factor: 3.368, year: 2014

  15. Ba{sub 4}In{sub 8}Sb{sub 16}: Thermoelectric properties of a new layered Zintl phase with infinite zigzag Sb chains and pentagonal tubes

    Energy Technology Data Exchange (ETDEWEB)

    Kim, S J; Hu, S; Uher, C; Kanatzidis, M G

    1999-11-01

    A new Zintl phase Ba{sub 4}In{sub 8}Sb{sub 16} was obtained from a direct element combination reaction of the elements in a sealed graphite tube at 700 C, and its structure was determined by single-crystal X-ray diffraction methods. It crystallizes in the orthorhombic space group Pnma (No. 62) with a = 10.166(3) {angstrom}, b = 4.5239(14) {angstrom}, c = 19.495(6) {angstrom}, and Z = 1. Ba{sub 4}In{sub 8}Sb{sub 16} has a two-dimensional structure with thick corrugated (In{sub 8}Sb{sub 16}){sup 8{minus}} layers separated by Ba{sup 2+} ions. In the layer, InSb{sub 4} tetrahedra are connected by sharing three corners and by bridging the fourth corner in such a manner that infinite pentagonal tubes are formed. The compound is a narrow band gap ({approximately} 0.10 eV) semiconductor and satisfies the classical Zintl rule. Band structure calculations confirm that the material is a semiconductor and indicate that it has optimized In-Sb bonding interactions. Polycrystalline ingots of Ba{sub 4}In{sub 8}Sb{sub 16} show room-temperature electrical conductivity of 135 S/cm and a Seebeck coefficient of 70 {micro}V/K. The thermal conductivity of Ba{sub 4}In{sub 8}Sb{sub 16} is about 1.7 W/m{sm{underscore}bullet}K in the temperature range 150--300 K.

  16. Comparative study of phase structure and dielectric properties for K0.5Bi0.5TiO3-BiAlO3 and LaAlO3-BiAlO3

    International Nuclear Information System (INIS)

    Hou, Yudong; Zheng, Mupeng; Si, Meiju; Cui, Lei; Zhu, Mankang; Yan, Hui

    2013-01-01

    In this work, two perovskite-type compounds, K 0.5 Bi 0.5 TiO 3 and LaAlO 3 , have been selected as host material to incorporate with BiAlO 3 using a solid-state reaction route. The phase evolution and dielectric properties for both systems have been investigated in detail. For the K 0.5 Bi 0.5 TiO 3 -BiAlO 3 system, it is interesting to find that when using Bi 2 O 3 , Al 2 O 3 , K 2 CO 3 , and TiO 2 as starting materials, the formed compounds are K 0.5 Bi 0.5 TiO 3 -K 0.5 Bi 4.5 Ti 4 O 15 and Al 2 O 3 only plays a dopant role. There are two distinct dielectric peaks appearing in the patterns of temperature dependence of dielectric constant, corresponding to the phase-transition points of perovskite-type K 0.5 Bi 0.5 TiO 3 and Aurivillius-type K 0.5 Bi 4.5 Ti 4 O 15 , independently. In comparison, using Bi 2 O 3 , Al 2 O 3 , and La 2 O 3 as starting materials, the pure perovskite phase LaAlO 3 -BiAlO 3 can be obtained. Compared to the inherent paraelectric behavior in LaAlO 3 , the diffuse phase-transition phenomena can be observed in the LaAlO 3 -BiAlO 3 binary system, which corresponds well to the Vogel-Fulcher (VF) relationship. Moreover, compared to pure LaAlO 3 , the synthesized LaAlO 3 -BiAlO 3 compound shows enhanced dielectric properties, which are promising in application as gate dielectric materials. (copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. On atomic mechanisms governing the oxidation of Bi2Te3

    Science.gov (United States)

    Music, Denis; Chang, Keke; Schmidt, Paul; Braun, Felix N.; Heller, Martin; Hermsen, Steffen; Pöllmann, Peter J.; Schulzendorff, Till; Wagner, Cedric

    2017-12-01

    Oxidation of Bi2Te3 (space group R \\overline{3} m) has been investigated using experimental and theoretical means. Based on calorimetry, x-ray photoelectron spectroscopy and thermodynamic modelling, Bi2Te3 is at equilibrium with Bi2O3 and TeO2, whereby the most stable compound is Bi2Te3, followed by Bi2O3. The reactivity of Bi towards oxygen is expected to be higher than that of Te. This notion is supported by density functional theory. The strongest bond is formed between Bi and Te, followed by Bi-O. This gives rise to unanticipated atomic processes. Dissociatively adsorbed oxygen diffuses through Bi and Te basal planes of Bi2Te3(0 0 0 1) and preferably interacts with Bi. The Te termination considerably retards this process. These findings may clarify conflicting literature data. Any basal plane off-cut or Bi terminations trigger oxidation, but a perfect basal cleavage, where only Te terminations are exposed to air, may be stable for a longer period of time. These results are of relevance for applications in which surfaces are of key importance, such as nanostructured Bi2Te3 thermoelectric devices.

  18. Bandgap Engineering of Lead-Free Double Perovskite Cs2 AgBiBr6 through Trivalent Metal Alloying.

    Science.gov (United States)

    Du, Ke-Zhao; Meng, Weiwei; Wang, Xiaoming; Yan, Yanfa; Mitzi, David B

    2017-07-03

    The double perovskite family, A 2 M I M III X 6 , is a promising route to overcome the lead toxicity issue confronting the current photovoltaic (PV) standout, CH 3 NH 3 PbI 3 . Given the generally large indirect band gap within most known double perovskites, band-gap engineering provides an important approach for targeting outstanding PV performance within this family. Using Cs 2 AgBiBr 6 as host, band-gap engineering through alloying of In III /Sb III has been demonstrated in the current work. Cs 2 Ag(Bi 1-x M x )Br 6 (M=In, Sb) accommodates up to 75 % In III with increased band gap, and up to 37.5 % Sb III with reduced band gap; that is, enabling ca. 0.41 eV band gap modulation through introduction of the two metals, with smallest value of 1.86 eV for Cs 2 Ag(Bi 0.625 Sb 0.375 )Br 6 . Band structure calculations indicate that opposite band gap shift directions associated with Sb/In substitution arise from different atomic configurations for these atoms. Associated photoluminescence and environmental stability of the three-metal systems are also assessed. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Bandgap engineering of lead-free double perovskite Cs_2AgBiBr_6 through trivalent metal alloying

    International Nuclear Information System (INIS)

    Du, Ke-zhao; Mitzi, David B.; Meng, Weiwei; Wang, Xiaoming; Yan, Yanfa

    2017-01-01

    The double perovskite family, A_2M"IM"I"I"IX_6, is a promising route to overcome the lead toxicity issue confronting the current photovoltaic (PV) standout, CH_3NH_3PbI_3. Given the generally large indirect band gap within most known double perovskites, band-gap engineering provides an important approach for targeting outstanding PV performance within this family. Using Cs_2AgBiBr_6 as host, band-gap engineering through alloying of In"I"I"I/Sb"I"I"I has been demonstrated in the current work. Cs_2Ag(Bi_1_-_xM_x)Br_6 (M=In, Sb) accommodates up to 75 % In"I"I"I with increased band gap, and up to 37.5 % Sb"I"I"I with reduced band gap; that is, enabling ca. 0.41 eV band gap modulation through introduction of the two metals, with smallest value of 1.86 eV for Cs_2Ag(Bi_0_._6_2_5Sb_0_._3_7_5)Br_6. Band structure calculations indicate that opposite band gap shift directions associated with Sb/In substitution arise from different atomic configurations for these atoms. Associated photoluminescence and environmental stability of the three-metal systems are also assessed. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  20. New sulfido antimonates of the heavy alkali metals. Synthesis, crystal structure and chemical bonding of (K/Rb/Cs){sub 3}SbS{sub 3} and Cs{sub 3}SbS{sub 4} . H{sub 2}O; Neue Sulfido-Antimonate der schweren Alkalimetalle. Synthese, Kristallstruktur und chemische Bindung von (K/Rb/Cs){sub 3}SbS{sub 3} und Cs{sub 3}SbS{sub 4} . H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Schindler, Lisa V.; Schwarz, Michael; Roehr, Caroline [Freiburg Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie

    2013-12-15

    The new sulfido antimonates(III) (Rb/Cs){sub 3}SbS{sub 3} were prepared from the alkali metal sulfides Rb{sub 2}S/Cs{sub 2}S{sub 2} and elemental antimony and sulfur or Sb{sub 2}S{sub 3} at reaction temperatures of about 700 C. The known isotypic potassium compound was similarly synthesized from the elements. The structures of the light-yellow crystals were refined using single-crystal X-ray data. Both compounds are isotypic to the respective Na salt forming the Na{sub 3}AsS{sub 3} structure type (cubic, space group P2{sub 1}3, K/Rb/Cs: a = 947.21(7)/982.28(5)/1025.92(5) pm, Z = 4, R1 = 0.0159/0.0560/0.0582). The {psi}-tetrahedral SbS{sub 3}{sup 3-} anions with Sb-S bond lengths of 242 pm are arranged in a cubic face centered packing, in which the three crystallographically different A{sup +} cations occupy the tetrahedral and octahedral voids, overall exhibiting a distorted octahedral sulfur coordination. The chemical bonding and the characteristics of the stereochemically active lone electron pair have been investigated by means of FP-LAPW band structure calculations. Needle-shaped crystals of the monohydrate of the antimony(V) salt Cs{sub 3}SbS{sub 4} . H{sub 2}O were obtained from a suspension of Sb{sub 2}O{sub 3}, CsOH and elemental sulfur. Cs{sub 3}SbS{sub 4} . H{sub 2}O crystallizes in a new structure type (monoclinic, space group P2{sub 1}/c, a = 987.17(10), b = 994.83(7), c = 1600.46(14) pm, {beta} = 126.895(8) , Z = 4, R1 = 0.0234). As expected, the Sb-S distances (233.1-234.7 pm) in the nearly ideally tetrahedral anion SbS{sub 4}{sup 3-} are considerably shorter than in the antimonates(III) but match the bond lengths in the anhydrous sulfido antimonate(V) Cs{sub 3}SbS{sub 4}. Due to their similar fcc-like anion packing and the stereochemically active lone electron pair of Sb in the antimonates(III), the whole series of compounds A{sub 3}Sb{sup III,V}S{sub 3/4} shows a uniform structure relation, which is elucidated using crystallographic group

  1. Conical angles of ligands - compounds of elements of the 6(16) and 7(17) groups. Levelling effect

    International Nuclear Information System (INIS)

    Imyanitov, N.S.

    1991-01-01

    In the framework of development of a unified system of electron and steric effects of ligand conical angles of 176 compounds R 2 X and RHal, where X=O, S, Se, Te; Hal=F, Cl, Br, I; R=H, Hal (only in the case of R 2 X), Alk or Ar, were calculated. A levelling effect of large X and Hal was pointed out: in the beginning of steric series the conical angles are determined by dimensions of X and Hal and not by R ones. Similar levelled values of conical angles for previously considered ligands on the basis of N, P, As, Sb, Bi, C, Si, Ge, Sn were also calculated

  2. Diffusion mechanisms in intermetallic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Larikov, L N [ANU, Inst. Metallofiziki, Kiev (Ukraine)

    1992-08-01

    Recent research aimed at the identification of the principal mechanisms of diffusion in intermetallics is reviewed. In particular, attention is given to the effect of the type of interatomic bond on the contribution of different mechanisms to diffusion in ordered metallic compounds. Results of an analysis of experimental determinations of diffusion coefficients D(A) and D(B) in binary intermetallics (CuZn, Cu3Sn, AuCd, AgZn, AgMg, InSb, GaSb, AlSb, Fe3Al, FeAl, FeAl3, Ni3Al, Ni3Nb, FeSn, FeSn2, Ni3Sn2, Ni3Sn4, Co3Sn2, CoSn, CoSn2, and CoGa) are presented, and it is shown that the D(A)/D(B) ratio differs substantially for different diffusion mechanisms. 60 refs.

  3. Orbital-dependent Rashba coupling in bulk BiTeCl and BiTeI

    KAUST Repository

    Zhu, Zhiyong; Cheng, Yingchun; Schwingenschlö gl, Udo

    2013-01-01

    By all-electron ab initio calculations, the layered polar semiconductor BiTeCl is shown to host giant bulk Rashba spin splitting, similar to the recently reported compound BiTeI. In both materials, the standard Rashba–Bychkov model is no longer applicable, because of huge band extrema shifts even in the absence of spin–orbit coupling and a strong momentum dependence of the Rashba coupling constant (αR). By assuming αR to be orbital dependent, a phenomenological extension of the Rashba–Bychkov model is proposed which explains the splitting behavior of states with small in-plane momentum.

  4. Orbital-dependent Rashba coupling in bulk BiTeCl and BiTeI

    KAUST Repository

    Zhu, Zhiyong

    2013-02-06

    By all-electron ab initio calculations, the layered polar semiconductor BiTeCl is shown to host giant bulk Rashba spin splitting, similar to the recently reported compound BiTeI. In both materials, the standard Rashba–Bychkov model is no longer applicable, because of huge band extrema shifts even in the absence of spin–orbit coupling and a strong momentum dependence of the Rashba coupling constant (αR). By assuming αR to be orbital dependent, a phenomenological extension of the Rashba–Bychkov model is proposed which explains the splitting behavior of states with small in-plane momentum.

  5. Mechanism of Pb and Sb role on the 2223 phase of BSCCO system superconductor

    Energy Technology Data Exchange (ETDEWEB)

    Sukirman, E; Sulisworo, P; Prasuad, W; Wuryanto, [Material Science Research Centre, National Atomic Energy Agency, Kawasan Puspiptek Serpong Tangerang (Indonesia)

    1998-10-01

    The mechanism of Pb and Sb role on the 2223 phase of Bi-Sr-Ca-Cu-O (BSCCO) system superconductor has been investigated. The 2223 phase samples without doping and with doping: Pb, and Sb have been synthesized by solid state reaction method. The samples characterization have been carried out through a susceptibility-, resistivity-, neutron diffraction profile-, and microstructure measurements. Crystal structure of the samples have been analyzed using RIETAN software. The analysis results show that relative content of the 2223 phase increase from 28% in the non-doped sample (TDP) to 75% in Pb-doped (DPB) and 44% in Sb-doped (DSB) samples. When, Pb, or Sb enter into the 2223 phase crystal system, then the oxygen atoms on SrO layers shift toward the copper atoms position on Cu(2)O{sub 2} layers as far as 0.1(1) and 0.1(1) A in DPB, and DSB, respectively. BiO layers shift away from SrO layers as far as 0.3(1) and 0.1(1) A in DPB, and DSB, respectively. The critical current density Jc increase from 3 A/cm{sup 2} in TDP to 210 and 35 A/cm{sup 2} in DPB, and DSB, respectively. The onset point of Tc also increase from 99 K in TDP to 103 and 107 K in DPB and DSB, respectively. It is concluded that the enhancement of the 2223 phase, Jc and onset point are due to improvement on the structure stability, improvement on the connection between unit-cells, and shortening the apical oxygen-Cu chains, respectively. (author)

  6. Single crystal growth and electrical and magnetic measurements on CeFe4Sb12

    International Nuclear Information System (INIS)

    Mori, I.; Sugawara, H.; Magishi, K.; Saito, T.; Koyama, K.; Kikuchi, D.; Tanaka, K.; Sato, H.

    2007-01-01

    We have succeeded in growing single crystals of CeFe 4 Sb 12 by a Sb-self-flux method and measured the electrical resistivity and magnetization. The residual resistivity is about two times smaller than that of polycrystalline ones, suggesting that the sample quality is highly improved. The magnetization measurements at low temperature revealed that the sample contains almost no magnetic impurities which are always observed in polycrystalline samples. The weak temperature dependence and a broad maximum around 115K in magnetic susceptibility, which is a typical feature of valence fluctuation compounds, have been observed

  7. Crystal structure and magnetic properties of Tb6FeSb2

    International Nuclear Information System (INIS)

    Cai Gemei; Zhang Jiliang; He Wei; Qin Pingli; Zeng Lingmin

    2006-01-01

    The crystal structure and magnetic properties of Tb 6 FeSb 2 has been investigated for the first time. The compound crystallizes in the hexagonal, space group P6-bar 2m (No. 189) with the Ho 6 FeSb 2 structure type and lattice parameters a=8.1942(5)A, c=4.1758(3)A, z=1 and D calc =8.564g/cm 3 . Its magnetic properties were measured between 85 and 420K. The Curie temperature T c =256K was obtained using the method of intersecting tangents, and the effective paramagnetic moment was μ eff =9.32μ B per Tb atom

  8. First-principles comparison of the cubic and tetragonal phases of Mo3Sb7

    KAUST Repository

    Nazir, Safdar; Auluck, Sushil V.; Pulikkotil, Jiji Thomas Joseph; Singh, Nirpendra; Schwingenschlö gl, Udo

    2011-01-01

    Using ab initio density functional based methods, we study the normal metal state properties of the ∼3 K Mo3Sb7 superconductor, in its high temperature cubic and low temperature tetragonal structures. Although the density of states at the Fermi energy is reasonably high in both structures, our calculations unequivocally show that there exists no long range magnetic ordering in this system. We also address the optical properties of the compound. The magnetism in Mo3Sb7 is studied by fixed spin moment calculations, which yield a shallow non-magnetic minimum, thus inferring propensity to a magnetic instability. © 2011 Elsevier B.V. All rights reserved.

  9. First-principles comparison of the cubic and tetragonal phases of Mo3Sb7

    KAUST Repository

    Nazir, Safdar

    2011-03-01

    Using ab initio density functional based methods, we study the normal metal state properties of the ∼3 K Mo3Sb7 superconductor, in its high temperature cubic and low temperature tetragonal structures. Although the density of states at the Fermi energy is reasonably high in both structures, our calculations unequivocally show that there exists no long range magnetic ordering in this system. We also address the optical properties of the compound. The magnetism in Mo3Sb7 is studied by fixed spin moment calculations, which yield a shallow non-magnetic minimum, thus inferring propensity to a magnetic instability. © 2011 Elsevier B.V. All rights reserved.

  10. Dielectric and piezoelectric properties of Bi0⋅5(Na0⋅82K0⋅18)0⋅5 ...

    Indian Academy of Sciences (India)

    Administrator

    diffuse into the Bi0⋅5(Na0⋅82K0⋅18)0⋅5TiO3 lattices to form a solid solution with a pure perovskite structure. The LiSbO3 addition has no remarkable effect on the crystal structure. However, a significant change in grain size took place. Simultaneously, with increasing amount of LiSbO3, the temperature for a ...

  11. Unusual Concentration Induced Antithermal Quenching of the Bi(2+) Emission from Sr2P2O7:Bi(2.).

    Science.gov (United States)

    Li, Liyi; Peng, Mingying; Viana, Bruno; Wang, Jing; Lei, Bingfu; Liu, Yingliang; Zhang, Qinyuan; Qiu, Jianrong

    2015-06-15

    The resistance of a luminescent material to thermal quenching is essential for the application in high power LEDs. Usually, thermal luminescence quenching becomes more and more serious as the activator concentration increases. Conversely, we found here that a red phosphor Sr2P2O7:Bi(2+) is one of the exceptions to this as we studied the luminescence properties at low (10-300 K) and high (300-500 K) temperatures. As Bi(2+) ions are incorporated into Sr2P2O7, they exhibit the emissions at ∼660 and ∼698 nm at room temperature and are encoded, hereafter, as Bi(1) and Bi(2) due to the substitutions for two different crystallographic sites Sr(1) and Sr(2), respectively, in the compound. However, they will not substitute for these sites equally. At lower dopant concentration, they will occupy preferentially Sr(2) sites partially due to size match. As the concentration increases, more Bi(2+) ions start to occupy the Sr(1) sites. This can be verified by the distinct changes of emission intensity ratio of Bi(2) to Bi(1). As environment temperature increases, the thermal quenching happens, but it can be suppressed by the Bi(2+) concentration increase. This becomes even more pronounced in Bi(2+) heavily doped sample as we decompose the broad emission band into separated Bi(1) and Bi(2) Gaussian peaks. For the sample, the Bi(1) emission at ∼660 nm even shows antithermal-quenching particularly at higher temperatures. This phenomenon is accompanied by the blue shift of the overall emission band and almost no changes of lifetimes. A mechanism is proposed due to volume expansion of the unit cell, the increase of Bi(1) content, and temperature dependent energy transfer between Bi(2) and Bi(1). This work helps us better understand the complex luminescent behavior of Bi(2+) doped materials, and it will be helpful to design in the future the heavily doped phosphor for WLEDs with even better resistance to thermal quenching.

  12. Luminescent and scintillation properties of Bi{sup 3+} doped Y{sub 2}SiO{sub 5} and Lu{sub 2}SiO{sub 5} single crystalline films

    Energy Technology Data Exchange (ETDEWEB)

    Zorenko, Yu., E-mail: zorenko@ukw.edu.pl [Institute of Physics, Kazimierz Wielki University in Bydgoszcz, 85-090 Bydgoszcz (Poland); Gorbenko, V.; Zorenko, T. [Institute of Physics, Kazimierz Wielki University in Bydgoszcz, 85-090 Bydgoszcz (Poland); Laboratory for Optoelectronic Materials (LOM), Department of Electronics of Ivan Franko National University of Lviv, 79017 Lviv (Ukraine); Malinowski, P. [Institute of Physics, Kazimierz Wielki University in Bydgoszcz, 85-090 Bydgoszcz (Poland); Jary, V.; Kucerkova, R.; Beitlerova, A.; Mares, J.A.; Nikl, M. [Institute of Physics AS CR, Cukrovarnicka 10, 16253 Prague (Czech Republic); Fedorov, A. [Institute for Single Crystals NAS of Ukraine, 60 Lenin ave., 61001 Kharkiv (Ukraine)

    2014-10-15

    In this paper we report our follow-up research on the Bi{sup 3+} luminescence in orthosilicate compounds, focusing on absorption, luminescent and scintillation properties of YSO:Bi and LSO:Bi SCFs with the Bi concentration ranging from 0.05 to 0.18 at%. For purpose of this research, single crystalline films (SCF) of Y{sub 2}SiO{sub 5}:Bi and Lu{sub 2}SiO{sub 5}:Bi have been grown by the LPE method onto YSO and LSO substrates from the melt-solution based on Bi{sub 2}O{sub 3} flux. - Highlights: • YSO:Bi and LSO:Bi films have been grown by liquid phase epitaxy. • Bi{sup 3+} absorption and luminescence depends on Bi concentration. • Scintillation properties of YSO:Bi and LSO:Bi films have been studied.

  13. Thermoelectric Properties of Cu-doped Bi2-xSbxTe3 Prepared by Encapsulated Melting and Hot Pressing

    Science.gov (United States)

    Jung, Woo-Jin; Kim, Il-Ho

    2018-03-01

    P-type Bi2-xSbxTe3:Cum (x = 1.5-1.7 and m = 0.002-0.003) solid solutions were synthesized using encapsulated melting and were consolidated using hot pressing. The effects of Sb substitution and Cu doping on the charge transport and thermoelectric properties were examined. The lattice constants decreased with increasing Sb and Cu contents. As the amount of Sb substitution and Cu doping was increased, the electrical conductivity increased, and the Seebeck coefficient decreased owing to the increase in the carrier concentration. All specimens exhibited degenerate semiconductor characteristics and positive Hall and Seebeck coefficients, indicating p-type conduction. The increased Sb substitution caused a shift in the onset temperature of the intrinsic transition and bipolar conduction to higher temperatures. The electronic thermal conductivity increased with increasing Sb and Cu contents owing to the increase in the carrier concentration, while the lattice thermal conductivity slightly decreased due to alloy scattering. A maximum figure of merit, ZTmax = 1.25, was achieved at 373 K for Bi0.4Sb1.6Te3:Cu0.003.

  14. Synthesis and characterisation of YbPdSb

    Energy Technology Data Exchange (ETDEWEB)

    Haines, Charles R.S.; Brown, Philip A.C.; Grosche, Friedrich M. [Department of Physics, Cavendish Laboratory, University of Cambridge (United Kingdom)

    2016-07-01

    The intermetallic compound YbPdSb can form in two structures: the low temperature (LT) half-Heusler phase, in which the Yb atoms form a frustrated fcc structure, and the high temperature (HT) Pnma modification. We have prepared phase pure samples of both structures and report resistivity, magnetisation and heat capacity measurements on both. The LT phase is a Kondo lattice system showing large-moment Curie-Weiss paramagnet behaviour without any phase transition anomalies down to the lowest temperatures measured. The resistivity is rather insensitive to temperature from room temperature down to ∝50 K where it decreases steeply with further cooling. By contrast, in the HT phase the magnetic susceptibility displays weak temperature dependence and the resistivity falls with decreasing temperature in the way expected of a weakly correlated metal. These findings suggest that in contrast to the electronic state in the LT structure, the 4f-shell of Yb is completely filled in the HT structure of YbPdSb, presenting an interesting opportunity to study the interplay between lattice and electronic structure within the same compound.

  15. The radiation chemistry of the Cs-7SB modifier used in Cs and Sr extraction

    International Nuclear Information System (INIS)

    Swancutt, Katy L.; Cullen, Thomas D.; Mezyk, Stephen P.; Elias, Gracy; Bauer, William F.; Peterman, Dean R.; Riddle, Catherine L.; Ball, R. Duane; Mincher, Bruce J.; Muller, James J.

    2011-01-01

    The compound 1-(2,2,3,3,-tetrafluoropropoxy)-3-(4-sec-butylphenoxy)-2-propanol, also called Cs-7SB, is used as a solvent modifier in formulations containing calixarenes and crown ethers for cesium and/or strontium extraction from nuclear waste solutions. The compound solvates complexes of both metals and concentration decreases result in lowered extraction efficiency for both. The use of Cs-7SB in nuclear solvent extraction ensures that it will be exposed to high radiation doses, and thus its radiation chemical robustness is a matter of interest in the design of extraction systems employing it. The behavior of the compound in irradiated solution, both in the presence and absence of a nitric acid aqueous phase was investigated here using steady state and pulsed radiolysis techniques. The rate constants for the aqueous reactions of Cs-7SB with H, OH, NO 3 and NO 2 radicals are reported. UPLC-UV-MS results were used to identify major products of the radiolysis of Cs-7SB in contact with nitric acid, and revealed the production of hydroxylated nitro-derivatives. Reaction mechanisms are proposed and it is concluded that the aryl ether configuration of this molecule makes it especially susceptible to nitration in the presence of radiolytically-produced nitrous acid. Fluoride yields are also given under various conditions.

  16. Tl, Bi, and Pb doping in Ba4BiPb2TlO12-δ

    International Nuclear Information System (INIS)

    Sutto, T.E.; Averill, B.A.

    1992-01-01

    To determine the effects of different 6s metal concentrations on the superconducting nature of Ba 4 BiPb 2 TlO 12-δ , materials produced via four doping schemes were examined: Ba 4 Bi(Pb, Tl) 3 O 12-δ , Ba 4 -(BiPb) 3 TlO 12-δ , Ba 4 (Bi,Tl) 2 Pb 2 O 12-δ , and Ba 4 Bi x Pb 4-2x Tl x O 12-δ . For the parent compound a value of δ = 0.91 was observed, indicating that approximately 1/4 oxygen atom was missing per cubic subsection of the unit cell. For all samples, the symmetry of the parent compound changed from orthorhombic to tetragonal as the system moved away from the ideal composition. This was usually accompanied by the loss of superconductivity, which exhibited a maximum T c of 10.5 K for the parent compound Ba 4 BiPb 2 TlO 12-δ . Also reported are high-temperature magnetic susceptibility results, which are used to determine the effect of metal substitution on the density of states at the Fermi level. For each set of variants on the parent composition, the onset of superconductivity was accompanied by a significant decrease in the size of the Pauli paramagnetic signal. 16 refs., 6 figs

  17. Defect Structure of High-Temperature-Grown GaMnSb/GaSb

    International Nuclear Information System (INIS)

    Romanowski, P.; Bak-Misiuk, J.; Dynowska, E.; Domagala, J.Z.; Wojciechowski, T.; Jakiela, R.; Sadowski, J.; Barcz, A.; Caliebe, W.

    2010-01-01

    GaMnSb/GaSb(100) layers with embedded MnSb inclusions have been grown at 720 K using MBE technique. This paper presents the investigation of the defect structure of Ga1-xMnxSb layers with different content of manganese (up to x = 0.07). X-ray diffraction method using conventional and synchrotron radiation was applied. Dimensions and shapes of inclusions were detected by scanning electron microscopy. Depth profiles of elements were measured using secondary ion mass spectroscopy technique. (authors)

  18. Thermoelectric and mechanical properties of spark plasma sintered Cu{sub 3}SbSe{sub 3} and Cu{sub 3}SbSe{sub 4}: Promising thermoelectric materials

    Energy Technology Data Exchange (ETDEWEB)

    Tyagi, Kriti; Gahtori, Bhasker; Bathula, Sivaiah; Toutam, Vijaykumar; Sharma, Sakshi; Singh, Niraj Kumar; Dhar, Ajay, E-mail: adhar@nplindia.org [CSIR-Network of Institutes for Solar Energy, Materials Physics and Engineering, CSIR-National Physical Laboratory, Dr. K. S. Krishnan Road, New Delhi 110012 (India)

    2014-12-29

    We report the synthesis of thermoelectric compounds, Cu{sub 3}SbSe{sub 3} and Cu{sub 3}SbSe{sub 4}, employing the conventional fusion method followed by spark plasma sintering. Their thermoelectric properties indicated that despite its higher thermal conductivity, Cu{sub 3}SbSe{sub 4} exhibited a much larger value of thermoelectric figure-of-merit as compared to Cu{sub 3}SbSe{sub 3}, which is primarily due to its higher electrical conductivity. The thermoelectric compatibility factor of Cu{sub 3}SbSe{sub 4} was found to be ∼1.2 as compared to 0.2 V{sup −1} for Cu{sub 3}SbSe{sub 3} at 550 K. The results of the mechanical properties of these two compounds indicated that their microhardness and fracture toughness values were far superior to the other competing state-of-the-art thermoelectric materials.

  19. Disordered Zinc in Zn4Sb3 with Phonon-Glass and Electron-Crystal Thermoelectric Properties

    Science.gov (United States)

    Snyder, G. Jeffrey; Christensen, Mogens; Nishibori, Eiji; Caillat, Thierry; Brummerstedt Iversen, Bo

    2004-01-01

    By converting waste heat into electricity, thermoelectric generators could be an important part of the solution to today's energy challenges. The compound Zn4Sb3 is one of the most efficient thermoelectric materials known. Its high efficiency results from an extraordinarily low thermal conductivity in conjunction with the electronic structure of a heavily doped semiconductor. Previous structural studies have been unable to explain this unusual combination of properties. Here, we show through a comprehensive structural analysis using single-crystal X-ray and powder-synchrotron-radiation diffraction methods, that both the electronic and thermal properties of Zn4Sb3 can be understood in terms of unique structural features that have been previously overlooked. The identification of Sb3- ions and Sb-2(4-) dimers reveals that Zn4Sb3 is a valence semiconductor with the ideal stoichiometry Zn13Sb10. In addition, the structure contains significant disorder, with zinc atoms distributed over multiple positions. The discovery of glass-like interstitial sites uncovers a highly effective mechanism for reducing thermal conductivity. Thus Zn4Sb3 is in many ways an ideal 'phonon glass, electron crystal' thermoelectric material.

  20. Determination of the enthalpy of fusion and thermal diffusivity for ternary Cu_6_0_−_xSn_xSb_4_0 alloys

    International Nuclear Information System (INIS)

    Zhai, W.; Zhou, K.; Hu, L.; Wei, B.

    2016-01-01

    Highlights: • The increasing Sn content reduces the liquidus temperature. • High Sn content results in lower enthalpy of fusion by polynomial functions. • The thermal diffusivity drops from the solid toward the semi-solid state. • Undercoolability of alloys with primary Cu_2Sb phase is stronger than others. - Abstract: The liquidus and solidus temperatures, enthalpy of fusion, and the temperature dependence of thermal diffusivity for ternary Cu_6_0_−_xSn_xSb_4_0 alloys were systematically measured by DSC and laser flash methods. It is found that both the liquidus temperature and the enthalpy of fusion decrease with the rise of Sn content, and their relationships with alloy composition were established by polynomial functions. The thermal diffusivity usually drops from the solid toward the semi-solid state. The undercoolability of those liquid Cu_6_0_−_xSn_xSb_4_0 alloys with primary Cu_2Sb solid phase is stronger than the others with primary β(SnSb) intermetallic compound, and the increase of cooling rate facilitates further undercooling. Microstructural observation indicates that both of the primary Cu_2Sb and β(SnSb) intermetallic compounds in ternary Cu_6_0_−_xSn_xSb_4_0 alloys grow in faceted mode, and develop into coarse flakes and polygonal blocks.

  1. Optical spectroscopy and Fermi surface studies of BiTeCl and BiTeBr

    Science.gov (United States)

    Martin, Catalin; Suslov, A. V.; Buvaev, S.; Hebard, A. F.; Bugnon, Philippe; Berger, Helmuth; Magrez, Arnaud; Tanner, D. B.

    2014-03-01

    The observation of a large bulk Rashba effect in the non-centrosymmetric semiconductors BiTeX(X=Cl, Br, I) has stimulated the interest in these sys- tems, as promising candidates for studying spin related phenomena and for the realization of spin devices. Here we present a comparative study of the electronic properties of BiTeCl and BiTeBr, determined from temperature dependent infrared spectroscopy and Shubnikov-de Haas oscillations. In par- ticular, we compare the angle dependence of quantum oscillations between the two compounds and discuss possible differences between the topology of their Fermi surfaces. Supported by NSF Cooperative Agreement DMR-1157490 to the National High Magnetic Field Laboratory.

  2. Hydrazine-hydrothermal syntheses, characterizations and photoelectrochemical properties of two quaternary chalcogenidoantimonates(III) BaCuSbQ{sub 3} (Q = S, Se)

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Chang; Hou, Peipei [State Key Laboratory of Silicon Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Chai, Wenxiang [College of Materials Science and Engineering, China Jiliang University, Hangzhou 310018 (China); Tian, Jiawei; Zheng, Xuerong; Shen, Yaying; Zhi, Mingjia; Zhou, Chunmei [State Key Laboratory of Silicon Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Liu, Yi, E-mail: liuyimse@zju.edu.cn [State Key Laboratory of Silicon Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China)

    2016-09-15

    Two isostructural quaternary chalcogenidoantimonates(III) BaCuSbQ{sub 3} (Q = S, Se): BaCuSbS{sub 3} (1) and BaCuSbSe{sub 3} (2) have been successfully synthesized through a facile hydrazine-hydrothermal method. Both two compounds crystallize in the orthorhombic space group and feature a three-dimensional (3D) channeled [Cu{sub 2}Sb{sub 2}Q{sub 6}]{sup 4-} framework, which is constructed by the distorted tetrahedral CuQ{sub 4} and pyramid SbQ{sub 3} units via vertex sharing. Both optical properties and theoretical studies show 1 and 2 are semiconductors with narrow band gaps. In addition, their photoelectrochemical properties have been investigated. - Highlights: • BaCuSbQ{sub 3} (Q = S, Se) were synthesized through a hydrazine-hydrothermal method. • BaCuSbQ{sub 3} (Q = S, Se) feature a 3D framework by single-crystal X-ray diffraction. • Experimental and theoretical studies confirm BaCuSbQ{sub 3} (Q = S, Se) are semiconductors. • Photoelectrochemical properties of BaCuSbQ{sub 3} (Q = S, Se) have been investigated.

  3. Synthesis of Novel YbxSb2 − xTe3 Hexagonal Nanoplates: Investigation of Their Physical, Structural, and Photocatalytic Properties

    Directory of Open Access Journals (Sweden)

    Younes Hanifehpour

    2014-01-01

    Full Text Available Yb-doped Sb2Te3 nanomaterials were synthesized by a coreduction method in hydrothermal condition. Powder X-ray diffraction patterns indicate that the YbxSb2−xTe3 crystals (x=0.00–0.05 are isostructural with Sb2Te3. The cell parameter a decreases for YbxSb2−xTe3 compounds upon increasing the dopant content (x, while c increases. Scanning electron microscopy and transmission electron microscopy images show that doping of Yb3+ ions in the lattice of Sb2Te3 produces different morphology. The electrical conductivity of Yb-doped Sb2Te3 is higher than the pure Sb2Te3 and increases with temperature. By increasing concentration of the Yb3+ ions, the absorption spectrum of Sb2Te3 shows red shifts and some intensity changes. In addition to the characteristic red emission peaks of Sb2Te3, emission spectra of doped materials show other emission bands originating from f-f transitions of the Yb3+ ions. The photocatalytic performance of as-synthesized nanoparticles was investigated towards the decolorization of Malachite Green solution under visible light irradiation.

  4. Yb14MnSb11 as a High-Efficiency Thermoelectric Material

    Science.gov (United States)

    Snyder, G. Jeffrey; Gascoin, Franck; Brown, Shawna; Kauzlarich, Susan

    2009-01-01

    Yb14MnSb11 has been found to be wellsuited for use as a p-type thermoelectric material in applications that involve hotside temperatures in the approximate range of 1,200 to 1,300 K. The figure of merit that characterizes the thermal-to-electric power-conversion efficiency is greater for this material than for SiGe, which, until now, has been regarded as the state-of-the art high-temperature ptype thermoelectric material. Moreover, relative to SiGe, Yb14MnSb11 is better suited to incorporation into a segmented thermoelectric leg that includes the moderate-temperature p-type thermoelectric material CeFe4Sb12 and possibly other, lower-temperature p-type thermoelectric materials. Interest in Yb14MnSb11 as a candidate high-temperature thermoelectric material was prompted in part by its unique electronic properties and complex crystalline structure, which place it in a class somewhere between (1) a class of semiconducting valence compounds known in the art as Zintl compounds and (2) the class of intermetallic compounds. From the perspective of chemistry, this classification of Yb14MnSb11 provides a first indication of a potentially rich library of compounds, the thermoelectric properties of which can be easily optimized. The concepts of the thermoelectric figure of merit and the thermoelectric compatibility factor are discussed in Compatibility of Segments of Thermo - electric Generators (NPO-30798), which appears on page 55. The traditional thermoelectric figure of merit, Z, is defined by the equation Z = alpha sup 2/rho K, where alpha is the Seebeck coefficient, rho is the electrical resistivity, and k is the thermal conductivity.

  5. Fabrication, spark plasma consolidation, and thermoelectric evaluation of nanostructured CoSb3

    DEFF Research Database (Denmark)

    Khan, A.; Saleemi, M.; Johnsson, M.

    2014-01-01

    Nanostructured powders of thermoelectric (TE) CoSb3 compounds were synthesized using a chemical alloying method. This method involved co-precipitation of oxalate precursors in aqueous solution with controlled pH, followed by thermochemical treatments including calcination and reduction to produce...... stoichiometric nanostructured CoSb3. Moreover, CoSb 3 nanoparticles were consolidated by spark plasma sintering (SPS) with a very brief processing time. Very high compaction densities (>95%) were achieved and the grain growth was almost negligible during consolidation. An iterative procedure was developed...... to minimize the grain growth while achieving sufficient densification. Grain sizes in the range of 500 nm to 1 μm, with compaction density of 95-98% were obtained. Preliminary measurements of thermal diffusivity and conductivity showed the dependence on grain size as well as on porosity. TE transport...

  6. Wetting Behavior of Ternary Au-Ge-X (X = Sb, Sn) Alloys on Cu and Ni

    Science.gov (United States)

    Jin, S.; Valenza, F.; Novakovic, R.; Leinenbach, C.

    2013-06-01

    Au-Ge-based alloys are potential substitutes for Pb-rich solders currently used for high-temperature applications. In the present work, the wetting behavior of two Au-Ge-X (X = Sb, Sn) ternary alloys, i.e., Au-15Ge-17Sb and Au-13.7 Ge-15.3Sn (at.%), in contact with Cu and Ni substrates has been investigated. Au-13.7Ge-15.3Sn alloy showed complete wetting on both Cu and Ni substrates. Total spreading of Au-15Ge-17Sb alloy on Cu was also observed, while the final contact angle of this alloy on Ni was about 29°. Pronounced dissolution of Cu substrates into the solder alloys investigated was detected, while the formation of Ni-Ge intermetallic compounds at the interface of both solder/Ni systems suppressed the dissolution of Ni into the solder.

  7. Structural, chemical, and thermoelectric properties of Bi{sub 2}Te{sub 3} Peltier materials. Bulk, thin films, and superlattices

    Energy Technology Data Exchange (ETDEWEB)

    Peranio, Nicola

    2008-07-01

    In this work, the nature of the natural nanostructure (nns) was analysed and the correlations to the transport coefficients, particularly the lattice thermal conductivity, is discussed. Experimental methods are presented for the first time, yielding an accurate quantitative analysis of the chemical composition and of stress fields in Bi{sub 2}Te{sub 3} and in compounds with similar structural and chemical microstructures. This work can be subdivided as follows: (I) N-type Bi{sub 2}(Te{sub 0.91}Se{sub 0.09}){sub 3} and p-type (Bi{sub 0.26}Sb{sub 0.74}){sub 1.98}(Te{sub 0.99}Se{sub 0.01}){sub 3.02} bulk materials synthesised by the Bridgman technique. (II) Bi{sub 2}Te{sub 3} thin films and Bi{sub 2}Te{sub 3}/Bi{sub 2}(Te{sub 0.88}Se{sub 0.12}){sub 3} superlattices epitaxially grown by molecular beam epitaxy (MBE) on BaF{sub 2} substrates with periods of {delta}-12 nm at the Fraunhofer-Institut fuer Physikalische Messtechnik (IPM). (III) Experimental methods, i.e., TEM specimen preparation, high-accuracy quantitative chemical analysis by EDX in the TEM, and image simulations of dislocations and the nns according to the two-beam dynamical diffraction theory. The nns was analysed in detail by stereomicroscopy and by image simulation and was found to be a pure sinusoidal displacement field with (i) a displacement vector parallel to <5,-5,1> and an amplitude of about 10 pm and (ii) a wave vector parallel to {l_brace}1,0,10{r_brace} and a wavelength of 10 nm. The results obtained here showed a significant amount of stress in the samples, induced by the nns which was still not noticed and identified. Both kinds of nanostructures, artificial (ans) and natural (nns) nanostructures, yielded in thermoelectric materials a low lattice thermal conductivity which was beneficial for the thermoelectric figure of merit ZT. (orig.)

  8. CORRIGENDUM First principles study of crystalline and amorphous Ge2Sb2Te5 and the effects of stoichiometric defects First principles study of crystalline and amorphous Ge2Sb2Te5 and the effects of stoichiometric defects

    Science.gov (United States)

    Caravati, S.; Bernasconi, M.; Kühne, T. D.; Krack, M.; Parrinello, M.

    2010-10-01

    The distributions of coordination numbers reported in the insets of figure 7 actually refer to a bonding cutoff of 3.2 Å for all pairs of atoms. The distributions of coordination numbers referred to in the paper with bonding cutoff equal to 3.2 Å for all pairs but Sb-Te for which the bonding cutoff was set to the outer edge of the pair correlation function of c-GST (3.4 Å at 300 K) are given below for the three compounds. figure 1 Figure 7. Distribution of coordination numbers of different species obtained by integration of the partial pair correlation functions for (from left to right) Ge2Sb2Te5, Ge2Sb1.8Te5 and Ge2.2Sb2Te5.

  9. Decay of /sup 125/Sb

    Energy Technology Data Exchange (ETDEWEB)

    Singh, K; Sahota, H S

    1983-01-01

    The 2.7 yr beta decay of /sup 125/Sb yields /sup 125/Te has been studied using Ge(Li), Si(Li) and Ge detectors and the directional correlation technique New lines at 58, 111, 642, 693 and 729 keV have been detected and fitted in the decay scheme in the already existing levels, besides the one suggested at 729 keV. The intensities of 20, 109, 111, 116, 172, 178 and 198 keV transitions have been measured more precisely than before. The ..gamma..-..gamma.. directional correlation measurements in the 208-463, 204-176 and 321-176 keV cascades have enabled to assign a uniquue spin 7/2/sup -/ to the 525 keV level. The multipole mixing ratios for the 204, 208 and 321 keV transitions have been found as M1 + (14.75 +- 3.55)%E2, M1 + (4.5 +- 2.0)%E2 and E1 + (2.70 +- 0.75)%M2, respectively.

  10. Probing the magnetic ground state of single crystalline Ce3TiSb5

    Science.gov (United States)

    Matin, M.; Kulkarni, R.; Thamizhavel, A.; Dhar, S. K.; Provino, A.; Manfrinetti, P.

    2017-04-01

    Motivated by the report of superconductivity in R3TiSb5 (R  =  La and Ce) and possibly Nd3TiSb5 at  ∼4 K, we grew single crystals of La3TiSb5 and Ce3TiSb5 by the high-temperature solution method using Sn as a flux. While in both compounds we observed a superconducting transition at 3.7 K for resistivity and low-field magnetization, our data conclusively show that it arose from residual Sn flux present in the single crystals. In particular, the heat capacity data do not present any of the anomalies expected from a bulk superconducting transition. The anisotropic magnetic properties of Ce3TiSb5, crystallizing in a hexagonal P63/mcm structure, were studied in detail. We find that the Ce ions in Ce3TiSb5 form a Kondo lattice and exhibited antiferromagnetic ordering at 5.5 K with a reduced moment and a moderately normalized Sommerfeld coefficient of 598 mJ/mol K2. The characteristic single-ion Kondo energy scale was found to be  ∼8 K. The magnetization data were subjected to a crystal electric field (CEF) analysis. The experimentally observed Schottky peak in the 4f-electron heat capacity of Ce3TiSb5 was reproduced fairly well by the energy levels derived from the CEF analysis.

  11. Alternative synthetic route for the heterometallic CO-releasing [Sb@Rh12(CO27]3− icosahedral carbonyl cluster and synthesis of its new unsaturated [Sb@Rh12(CO24]4− and dimeric [{Sb@Rh12Sb(CO25}2Rh(CO2PPh3]7− derivatives

    Directory of Open Access Journals (Sweden)

    Cristina Femoni

    2016-10-01

    Full Text Available The hetero-metallic [Sb@Rh12(CO27]3− cluster has been known as for over three decades thanks to Vidal and co-workers, and represents the first example of an E-centered (E=heteroatom icosahedral rhodium carbonyl cluster. However, its synthesis required high temperature (140–160 °C and elevated CO pressure (400 atm. Applying the redox condensation method for cluster preparation, we herein report a new synthetic, high-yield route for preparing [Sb@Rh12(CO27]3− under much milder conditions of temperature and pressure. Notably, when the same synthesis was carried out under N2 instead of CO atmosphere, the new isostructural but unsaturated derivative [Sb@Rh12(CO24]4− was obtained, for which we report the full X-ray structural characterization. This species represents one of the few examples of an icosahedral cluster disobeying the electron-counting Wade-Mingos rules, possessing less than the expected 170 cluster valence electrons (CVEs. Judging from IR monitoring, the two species can be obtained one from the other by switching between N2 and CO atmosphere, making [Sb@Rh12(CO27]3− a spontaneous CO-releasing molecule. Finally, the study of the chemical reactivity of [Sb@Rh12(CO27]3− with PPh3 allowed us to obtain the new [{Sb@Rh12Sb(CO25}2Rh(CO2PPh3]7− dimeric compound, for which we herein report the full X-ray structural and 31P NMR analyses.

  12. The equilibrium diagram and some properties of alloys Gd5Sb3-Tb5Sb3 system

    International Nuclear Information System (INIS)

    Azizov, Yu.S.; Abulkhaev, V.D.; Ganiev, I.N.

    2001-01-01

    The purpose of present work is investigation equilibrium diagram of Gd 5 Sb 3 -Tb 5 Sb 3 system in total range of concentrations. Equilibrium diagram of Gd 5 Sb 3 -Tb 5 Sb 3 system investigated by methods of difference-thermal, roentgen-phase and metallographic analyses. For the first time on the base of difference-thermal, roentgen-phase and metallographic analyses was formed the equilibrium diagram of Gd 5 Sb 3 -Tb 5 Sb 3 system. Was determined the cristal-chemical parameters of solid solutions with general formula Gd x Tb 5 - x Sb 3

  13. Single Crystal Growth and Superconducting Properties of Antimony-Substituted NdO0.7F0.3BiS2

    Directory of Open Access Journals (Sweden)

    Satoshi Demura

    2017-12-01

    Full Text Available Antimony (Sb substitution of less than 8% was examined on a single crystal of a layered superconductor NdO0.7F0.3BiS2. The superconducting transition temperature of the substituted samples decreased as Sb concentration increased. A lattice constant along the c-axis showed a large decrease compared with that along the a-axis. Since in-plane chemical pressure monotonically decreased as Sb concentration increased, the suppression of the superconductivity is attributed to the decrease in the in-plane chemical pressure.

  14. Si-Sb-Te materials for phase change memory applications

    International Nuclear Information System (INIS)

    Rao Feng; Song Zhitang; Ren Kun; Zhou Xilin; Cheng Yan; Wu Liangcai; Liu Bo

    2011-01-01

    Si-Sb-Te materials including Te-rich Si 2 Sb 2 Te 6 and Si x Sb 2 Te 3 with different Si contents have been systemically studied with the aim of finding the most suitable Si-Sb-Te composition for phase change random access memory (PCRAM) use. Si x Sb 2 Te 3 shows better thermal stability than Ge 2 Sb 2 Te 5 or Si 2 Sb 2 Te 6 in that Si x Sb 2 Te 3 does not have serious Te separation under high annealing temperature. As Si content increases, the data retention ability of Si x Sb 2 Te 3 improves. The 10 years retention temperature for Si 3 Sb 2 Te 3 film is ∼ 393 K, which meets the long-term data storage requirements of automotive electronics. In addition, Si richer Si x Sb 2 Te 3 films also show improvement on thickness change upon annealing and adhesion on SiO 2 substrate compared to those of Ge 2 Sb 2 Te 5 or Si 2 Sb 2 Te 6 films. However, the electrical performance of PCRAM cells based on Si x Sb 2 Te 3 films with x > 3.5 becomes worse in terms of stable and long-term operations. Si x Sb 2 Te 3 materials with 3 < x < 3.5 are proved to be suitable for PCRAM use to ensure good overall performance.

  15. SB-224289 Antagonizes the Antifungal Mechanism of the Marine Depsipeptide Papuamide A.

    Directory of Open Access Journals (Sweden)

    Chelsi D Cassilly

    Full Text Available In order to expand the repertoire of antifungal compounds a novel, high-throughput phenotypic drug screen targeting fungal phosphatidylserine (PS synthase (Cho1p was developed based on antagonism of the toxin papuamide A (Pap-A. Pap-A is a cyclic depsipeptide that binds to PS in the membrane of wild-type Candida albicans, and permeabilizes its plasma membrane, ultimately causing cell death. Organisms with a homozygous deletion of the CHO1 gene (cho1ΔΔ do not produce PS and are able to survive in the presence of Pap-A. Using this phenotype (i.e. resistance to Pap-A as an indicator of Cho1p inhibition, we screened over 5,600 small molecules for Pap-A resistance and identified SB-224289 as a positive hit. SB-224289, previously reported as a selective human 5-HT1B receptor antagonist, also confers resistance to the similar toxin theopapuamide (TPap-A, but not to other cytotoxic depsipeptides tested. Structurally similar molecules and truncated variants of SB-224289 do not confer resistance to Pap-A, suggesting that the toxin-blocking ability of SB-224289 is very specific. Further biochemical characterization revealed that SB-224289 does not inhibit Cho1p, indicating that Pap-A resistance is conferred by another undetermined mechanism. Although the mode of resistance is unclear, interaction between SB-224289 and Pap-A or TPap-A suggests this screening assay could be adapted for discovering other compounds which could antagonize the effects of other environmentally- or medically-relevant depsipeptide toxins.

  16. Thermal conductivities and conduction mechanisms of Sb-Te Alloys at high temperatures

    International Nuclear Information System (INIS)

    Lan, Rui; Endo, Rie; Kobayashi, Yoshinao; Susa, Masahiro; Kuwahara, Masashi

    2011-01-01

    Sb-Te alloys have drawn much attention due to its application in phase change memory as well as the unique properties as chalcogenide. In this work, the thermal conductivities of Sb-x mol%Te alloys (x = 14, 25, 44, 60, 70, and 90) have been measured by the hot strip method from room temperature up to temperature just below the respective melting points. For the intermetallic compound Sb 2 Te 3 (x = 60), the thermal conductivity decreases up to approximately 600 K and then increases. For other Sb-x mol%Te alloys where x > 60, the thermal conductivities of the alloys decrease with increasing temperature. In contrast, for x < 60, the thermal conductivities of the alloys keep roughly constant up to approximately 600 K and then increase with increasing temperature. It is proposed that free electron dominates the heat transport below 600 K, and ambipolar diffusion also contributes to the increase in the thermal conductivity at higher temperatures. The prediction equation from temperature and chemical composition has been proposed for thermal conductivities of Sb-Te alloys.

  17. Photoconductivity in the chalcohalide semiconductor, SbSeI: a new candidate for hard radiation detection.

    Science.gov (United States)

    Wibowo, Arief C; Malliakas, Christos D; Liu, Zhifu; Peters, John A; Sebastian, Maria; Chung, Duck Young; Wessels, Bruce W; Kanatzidis, Mercouri G

    2013-06-17

    We investigated an antimony chalcohalide compound, SbSeI, as a potential semiconductor material for X-ray and γ-ray detection. SbSeI has a wide band gap of 1.70 eV with a density of 5.80 g/cm(3), and it crystallizes in the orthorhombic Pnma space group with a one-dimensional chain structure comprised of infinite zigzag chains of dimers [Sb2Se4I8]n running along the crystallographic b axis. In this study, we investigate conditions for vertical Bridgman crystal growth using combinations of the peak temperature and temperature gradients as well as translation rate set in a three-zone furnace. SbSeI samples grown at 495 °C peak temperature and 19 °C/cm temperature gradient with 2.5 mm/h translation rate produced a single phase of columnar needlelike crystals aligned along the translational direction of the growth. The ingot sample exhibited an n-type semiconductor with resistivity of ∼10(8) Ω·cm. Photoconductivity measurements on these specimens allowed us to determine mobility-lifetime (μτ) products for electron and hole carriers that were found to be of similar order of magnitude (∼10(-4) cm(2)/V). Further, the SbSeI ingot with well-aligned, one-dimensional columnar needlelike crystals shows an appreciable response of Ag Kα X-ray.

  18. Electronic structure modeling of InAs/GaSb superlattices with hybrid density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Garwood, Tristan [Univ. of New Mexico, Albuquerque, NM (United States). Center for High Technology Materials; Modine, Normand A. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Krishna, S. [Univ. of New Mexico, Albuquerque, NM (United States). Center for High Technology Materials

    2016-12-18

    The application of first-principles calculations holds promise for greatly improving our understanding of semiconductor superlattices. By developing a procedure to accurately predict band gaps using hybrid density functional theory, it lays the groundwork for future studies investigating more nuanced properties of these structures. Our approach allows a priori prediction of the properties of SLS structures using only the band gaps of the constituent materials. Furthermore, it should enable direct investigation of the effects of interface structure, e.g., intermixing or ordering at the interface, on SLS properties. In this paper, we present band gap data for various InAs/GaSb type-II superlattice structures calculated using the generalized Kohn-Sham formulation of density functional theory. A PBE0-type hybrid functional was used, and the portion of the exact exchange was tuned to fit the band gaps of the binary compounds InAs and GaSb with the best agreement to bulk experimental values obtained with 18% of the exact exchange. The heterostructures considered in this study are 6 monolayer (ML) InAs/6 ML GaSb, 8 ML InAs/8 ML GaSb and 10 ML InAs/10 ML GaSb with deviations from the experimental band gaps ranging from 3% to 11%.

  19. The single crystal structure determination of Ln{sub 6}MnSb{sub 15} (Ln=La, Ce), Ln{sub 6}Mn{sub 1-x}Zn{sub x}Sb{sub 15} (x∝0.5), and Ln{sub 6}ZnSb{sub 15} (Ln=La-Pr)

    Energy Technology Data Exchange (ETDEWEB)

    Benavides, Katherine A.; McCandless, Gregory T.; Chan, Julia Y. [Texas Univ., Dallas, Richardson, TX (United States). Dept. of Chemistry and Biochemistry

    2017-09-01

    Single crystals of Ln{sub 6}MnSb{sub 15} (Ln=La, Ce), Ln{sub 6}Mn{sub 1-x}Zn{sub x}Sb{sub 15} (x∝0.5), and Ln{sub 6}ZnSb{sub 15} (Ln=La-Pr) have been successfully grown and the compounds adopt the orthorhombic Ln{sub 6}MnSb{sub 15} structure type (space group Immm), with a∝4.3 Aa, b∝15 Aa, and c∝19 Aa. This structure is comprised of antimony nets and antimony ribbons which exhibit positional disorder at connecting points between antimony substructures, in addition to two partially occupied transition metal sites. The unit cell volumes of the La analogs displayed a systematic decrease upon Zn substitution. However, for the Ce{sub 6}Mn{sub 1-x}Zn{sub x}Sb{sub 15} and Pr{sub 6}Mn{sub 1-x}Zn{sub x}Sb{sub 15} (x∝0.5), the volumes deviate from linearity as observed in the parent compounds.

  20. Electron diffraction study of the sillenites Bi12SiO20, Bi25FeO39 and Bi25InO39: Evidence of short-range ordering of oxygen-vacancies in the trivalent sillenites

    Directory of Open Access Journals (Sweden)

    Craig A. Scurti

    2014-08-01

    Full Text Available We present an electron diffraction study of three sillenites, Bi12SiO20, Bi25FeO39, and Bi25InO39 synthesized using the solid-state method. We explore a hypothesis, inspired by optical studies in the literature, that suggests that trivalent sillenites have additional disorder not present in the tetravalent compounds. Electron diffraction patterns of Bi25FeO39 and Bi25InO39 show streaks that confirm deviations from the ideal sillenite structure. Multi-slice simulations of electron-diffraction patterns are presented for different perturbations to the sillenite structure - partial substitution of the M site by Bi3+, random and ordered oxygen-vacancies, and a frozen-phonon model. Although comparison of experimental data to simulations cannot be conclusive, we consider the streaks as evidence of short-range ordered oxygen-vacancies.

  1. Bi209 alpha activity

    International Nuclear Information System (INIS)

    Araujo Penna, M.M. de.

    1970-01-01

    The study for measuring Bi 209 alpha activity is presented. Ilford L4 nuclear emulsion pellicles loaded with bismuth citrate to obtain a load of 100 mg/cm 3 of dry emulsion, were prepared. Other pellicles were prepared with the same. Ilford L4 gel to estimate the background radiation. To observe 'fading' effect, pellicles loaded with bismuth were submitted to neutrons of high energy, aiming to record recoil proton tracks. The pellicles were confined in nitrogen atmosphere at temperature lower than -10 0 C. The Bi 209 experimental half-life was obtained and compared with the estimated theoretical data. (M.C.K.) [pt

  2. The Shear Strength and Fracture Behavior of Sn-Ag- xSb Solder Joints with Au/Ni-P/Cu UBM

    Science.gov (United States)

    Lee, Hwa-Teng; Hu, Shuen-Yuan; Hong, Ting-Fu; Chen, Yin-Fa

    2008-06-01

    This study investigates the effects of Sb addition on the shear strength and fracture behavior of Sn-Ag-based solders with Au/Ni-P/Cu underbump metallization (UBM) substrates. Sn-3Ag- xSb ternary alloy solder joints were prepared by adding 0 wt.% to 10 wt.% Sb to a Sn-3.5Ag alloy and joining them with Au/Ni-P/Cu UBM substrates. The solder joints were isothermally stored at 150°C for up to 625 h to study their microstructure and interfacial reaction with the UBM. Single-lap shear tests were conducted to evaluate the mechanical properties, thermal resistance, and failure behavior. The results show that UBM effectively suppressed intermetallic compound (IMC) formation and growth during isothermal storage. The Sb addition helped to refine the Ag3Sn compounds, further improving the shear strength and thermal resistance of the solders. The fracture behavior evolved from solder mode toward the mixed mode and finally to the IMC mode with increasing added Sb and isothermal storage time. However, SnSb compounds were found in the solder with 10 wt.% Sb; they may cause mechanical degradation of the solder after long-term isothermal storage.

  3. InSb semiconductors and (In,Mn)Sb diluted magnetic semiconductors. Growth and properties

    Energy Technology Data Exchange (ETDEWEB)

    Tran, Lien

    2011-04-13

    This dissertation describes investigations of the growth by molecular beam epitaxy and the characterization of the semiconductor InSb as well as the diluted magnetic semiconductor (DMS) In{sub 1-x}Mn{sub x}Sb. The InSb films were grown on GaAs (001) substrate and Si (001) offcut by 4 toward (110) substrate up to a thickness of about 2 {mu}m, in spite of a large lattice mismatch between the epi-layer and substrate (14.6% between InSb and GaAs, and 19.3% between InSb and Si). After optimizing the growth conditions, the best InSb films grown directly on GaAs without any special technique results in a high crystal quality, low noise, and an electron mobility of 41100 cm{sup 2}/V s Vs with associated electron concentration of 2.9.10{sup 6} cm{sup -3} at 300 K. Such structures could be used, for example, for infrared detector structures. The growth of InSb on Si, however, is a challenge. In order to successfully grow InSb on Si, tilted substrates and the insertion of buffer layers were used, which helps to reduce the lattice mismatch as well as the formation of defects, and hence to improve the crystal quality. An electron mobility of 24000 cm{sup 2}/V s measured at 300 K, with an associated carrier concentration of 2.6.10{sup 1}6 cm{sup -3} is found for the best sample that was grown at 340 C with a 0.06 {mu}m-thick GaSb/AlSb superlattice buffer layer. The smaller value of electron mobility (compared to the best GaAsbased sample) is related to a higher density of microtwins and stacking faults as well as threading dislocations in the near-interface region as shown by transmission electron microscopy. Deep level noise spectra indicate the existence of deep levels in both GaAs and Si-based samples. The samples grown on Si exhibit the lowest Hooge factor at 300 K, lower than the samples grown on GaAs. Taking the optimized growth conditions of InSb/GaAs, the diluted magnetic semiconductor In{sub 1-x}Mn{sub x}Sb/GaAs (001) is prepared by adding a few percent of Mn into the

  4. Synthesis and Characterization of Sn2+- based and Bi3+- based metal oxides for photocatalytic applications

    KAUST Repository

    Noureldine, Dalal

    2016-07-01

    The main challenge of water splitting technology is to develop stable, visible responsive photocatalysts that satisfy the thermodynamic requirements to achieve water redox reactions. This study investigates development of the semiconductors containing metals with s2d10 electronic configuration such as Sn2+ or Bi3+ which shifts the valence band position negatively. Efficient water splitting can, however, be only achieved by understanding the fundamental semiconductor properties of underlying processes. This work elucidates the semiconductor properties through two approaches: the first is to synthesize the materials of various stoichiometry in various forms (powders, thin film etc.) and the second is to perform a combined experimental-theoretical studies to determine the optoelectronic properties of the synthesized materials. The study includes the synthesis and characterization of a series of Bi3+ based semiconductors (Bi2Ti2O7, Bi12TiO20, and Bi4Ti3O12) to resolve inconsistencies in their optoelectronic properties. The crystal parameters and stoichiometry were confirmed by the Rietveld refinement and XRD measurements. These compounds showed a UV responsive absorption, high dielectric constants, and low electron and hole effective masses in one crystallographic reflecting their good charge separation and carrier diffusion properties. The approach showed to be accurate in determining the optoelectronic properties due to good agreement between experimental and theoretical values. The second study investigated the synthesis of SnNb2O6 and using flux assisted method which afforded control over the surface. Increasing the flux to reactant molar ratio resulted in a 2D platelets with anisotropic growth along bc plane as confirmed by XRD and SEM. The photocatalytic activity increased while increasing the flux to reactant ratio exceeding solid state synthesis. This method minimized the oxidation of the surface and formation of grain boundaries and enabled the synthesis of

  5. Ambipolar field effect in the ternary topological insulator (BixSb1–x)2Te3 by composition tuning

    KAUST Repository

    Kong, Desheng

    2011-10-02

    Topological insulators exhibit a bulk energy gap and spin-polarized surface states that lead to unique electronic properties 1-9, with potential applications in spintronics and quantum information processing. However, transport measurements have typically been dominated by residual bulk charge carriers originating from crystal defects or environmental doping 10-12, and these mask the contribution of surface carriers to charge transport in these materials. Controlling bulk carriers in current topological insulator materials, such as the binary sesquichalcogenides Bi 2Te 3, Sb 2Te 3 and Bi 2Se 3, has been explored extensively by means of material doping 8,9,11 and electrical gating 13-16, but limited progress has been made to achieve nanostructures with low bulk conductivity for electronic device applications. Here we demonstrate that the ternary sesquichalcogenide (Bi xSb 1-x) 2Te 3 is a tunable topological insulator system. By tuning the ratio of bismuth to antimony, we are able to reduce the bulk carrier density by over two orders of magnitude, while maintaining the topological insulator properties. As a result, we observe a clear ambipolar gating effect in (Bi xSb 1-x) 2Te 3 nanoplate field-effect transistor devices, similar to that observed in graphene field-effect transistor devices 17. The manipulation of carrier type and density in topological insulator nanostructures demonstrated here paves the way for the implementation of topological insulators in nanoelectronics and spintronics. © 2011 Macmillan Publishers Limited. All rights reserved.

  6. Polarity-dependent resistance switching in GeSbTe phase-change thin films : The importance of excess Sb in filament formation

    NARCIS (Netherlands)

    Pandian, Ramanathaswamy; Kooi, Bart J.; Oosthoek, Jasper L. M.; van den Dool, Pim; Palasantzas, George; Pauza, Andrew

    2009-01-01

    We show that polarity-dependent resistance switching in GeSbTe thin films depends strongly on Sb composition by comparing current-voltage characteristics in Sb-excess Ge(2)Sb(2+x)Te(5) and stoichiometric Ge(2)Sb(2)Te(5) samples. This type of switching in Ge(2)Sb(2+x)Te(5) films is reversible with

  7. Few-Layer Nanoplates of Bi 2 Se 3 and Bi 2 Te 3 with Highly Tunable Chemical Potential

    KAUST Repository

    Kong, Desheng

    2010-06-09

    A topological insulator (TI) represents an unconventional quantum phase of matter with insulating bulk band gap and metallic surface states. Recent theoretical calculations and photoemission spectroscopy measurements show that group V-VI materials Bi2Se3, Bi2Te3, and Sb2Te3 are TIs with a single Dirac cone on the surface. These materials have anisotropic, layered structures, in which five atomic layers are covalently bonded to form a quintuple layer, and quintuple layers interact weakly through van der Waals interaction to form the crystal. A few quintuple layers of these materials are predicted to exhibit interesting surface properties. Different from our previous nanoribbon study, here we report the synthesis and characterizations of ultrathin Bi2Te3 and Bi2Se3 nanoplates with thickness down to 3 nm (3 quintuple layers), via catalyst-free vapor-solid (VS) growth mechanism. Optical images reveal thickness-dependent color and contrast for nanoplates grown on oxidized silicon (300 nm SiO2/Si). As a new member of TI nanomaterials, ultrathin TI nanoplates have an extremely large surface-to-volume ratio and can be electrically gated more effectively than the bulk form, potentially enhancing surface state effects in transport measurements. Low-temperature transport measurements of a single nanoplate device, with a high-k dielectric top gate, show decrease in carrier concentration by several times and large tuning of chemical potential. © 2010 American Chemical Society.

  8. Global EiBI-monopole

    Directory of Open Access Journals (Sweden)

    JIN Xinghua

    2014-04-01

    Full Text Available A global EiBI-monopole problem is studied under EiBI gravitational theory.The equations of global EiBI-monopole are derived in the curved spacetime and the relation between the spacetime metric and auxiliary metric is found.In the case of a very small parameter,an asymptotic form of equations is given.The series solutions of global EiBI-monopole at infinity are found.

  9. Study of vortex dynamics with local magnetic relaxation measurements in the superconducting compound Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8}; Etude de la dynamique des vortex par des mesures locales de relaxation magnetique dans le compose supraconducteur Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8}

    Energy Technology Data Exchange (ETDEWEB)

    Berry, St

    2000-07-01

    This experimental study of the magnetic field-temperature phase diagram and of the vortex dynamics in high- T{sub c} superconductors focuses on Bismuth-based cuprates: Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8}. In type-II superconductors, mixed state characterized by the presence of vortices (quanta of magnetic flux) is divided by a transition line determined by two features of magnetization loops. For T > 40 K, magnetization loops vs applied field show a step evidence of a first order transition. From 20 to 40 K, a second peak replacing the step correspond to an abrupt increase of irreversibility interpreted as a bulk current. We want to understand the nature of the second peak (thermodynamic or nonequilibrium property) and separate phenomena contributing to irreversibility (flux pinning, geometrical or surface effects). Magnetic measurement techniques are nondestructive and have a resolution of few microns. Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8} single crystals are optimized by localizing defectives regions with a magneto-optic technique for flux imaging and elimination of these regions with a wire saw. Local magnetization loops and relaxation measurements performed with a microscopic Hall probe array allow to distinguish irreversibility sources. The shape of induction profiles indicates which current dominate between surface current and bulk pinning induced current. Two crossover with time and a direct observation of two phases coexistence in induction profiles enlighten phenomena in play. The measured electric field-current density characteristics lead to barrier energy U(j) controlling thermally activated flux motion. Three relations (U(j) (surface, bulk low and high field) explain second peak. (author)

  10. Thermodynamics and phase equilibria of ternary systems relevant to contact materials for compound semiconductors

    International Nuclear Information System (INIS)

    Ipser, H.; Richter, K.; Micke, K.

    1997-01-01

    In order to investigate the stability of ohmic contacts to compound semiconductors, it is necessary to know the phase equilibria in the corresponding multi-component systems. We are currently studying the phase equilibria and thermophysical properties of several ternary systems which are of interest in view of the use of nickel, palladium and platinum as contact materials for GaSb and InSb compound semiconductors: Ga-Ni-Sb, In-Ni-Sb, Ga-Pd-Sb and Ga-Pt-Sb. Phase equilibria are investigated by thermal analyses, X-ray powder diffraction methods as well as electron microprobe analysis. Thermodynamic properties are derived from vapour pressure measurements using an isopiestic method. It is planned to combine all information on phase equilibria and thermochemistry for the ternary and the limiting binary systems to perform an optimization of the ternary systems by computer calculations using standard software. (author)

  11. Sorghum bi-color

    African Journals Online (AJOL)

    sunny

    2014-11-12

    Nov 12, 2014 ... Biomass materials require reduction and densification for the purpose of handling and space requirements. Guinea corn (Sorghum bi-color) is a major source of biomass material in the tropic regions. The densification process involves some ... a closed-end die, the temperature and the use of binder.

  12. bi tule

    Index Scriptorium Estoniae

    2004-01-01

    8.-18. IV 2004 Eesti Tarbekunsti- ja Disainimuuseumis Eesti Kunstiakadeemia keraamikaosakonna magistrantide grupinäitus "Läbi tule". Reeli Haamer, Kadri Kivi, Annika Vilippus, Ingrid Allik, Mathew Graziano ja Milvi Korela kaitsevad 12. IV oma magistritööd. 23. IV-15. VI näitus Leesi Ermi loomingust sarjas "Klassikud"

  13. Hexamethylenetetramine assisted hydrothermal synthesis of BiPO4 and its electrochemical properties for supercapacitors

    Science.gov (United States)

    Nithya, V. D.; Kalai Selvan, R.; Vasylechko, Leonid

    2015-11-01

    The well defined microstructures of BiPO4 were successfully synthesized by the facile hexamethylenetetramine (HMT) assisted hydrothermal method. The low temperature monoclinic BiPO4 structure with space group P21/n, were obtained from X-ray diffraction (XRD) for the pristine and HMT-assisted BiPO4 with 1, 3, 5 and 10 mmole concentration. A transformation from low temperature monazite-type phase to the high temperature SbPO4-type phase of BiPO4 was observed at the 10 mmole concentration. There was a variation in the morphology from polyhedron to octahedra-like and finally into cube shape upon an increase in concentration of HMT. The role of reaction time in the morphology of BiPO4 particles was investigated. The selected area electron diffraction (SAED) pattern elucidated the ordered dot pattern and the calculated d-spacing revealed the formation of BiPO4. An increased specific capacitance of HMT assisted materials (202 F/g) compared with pristine BiPO4 (89 F/g) at 5 mA/cm2 was observed upon morphological variation due to HMT addition.

  14. DWPF simulant CPC studies for SB8

    Energy Technology Data Exchange (ETDEWEB)

    Koopman, D. C.; Zamecnik, J. R.

    2013-06-25

    The Savannah River National Laboratory (SRNL) accepted a technical task request (TTR) from Waste Solidification Engineering to perform simulant tests to support the qualification of Sludge Batch 8 (SB8) and to develop the flowsheet for SB8 in the Defense Waste Processing Facility (DWPF). These efforts pertained to the DWPF Chemical Process Cell (CPC). Separate studies were conducted for frit development and glass properties (including REDOX). The SRNL CPC effort had two primary phases divided by the decision to drop Tank 12 from the SB8 constituents. This report focuses on the second phase with SB8 compositions that do not contain the Tank 12 piece. A separate report will document the initial phase of SB8 testing that included Tank 12. The second phase of SB8 studies consisted of two sets of CPC studies. The first study involved CPC testing of an SB8 simulant for Tank 51 to support the CPC demonstration of the washed Tank 51 qualification sample in the SRNL Shielded Cells facility. SB8-Tank 51 was a high iron-low aluminum waste with fairly high mercury and moderate noble metal concentrations. Tank 51 was ultimately washed to about 1.5 M sodium which is the highest wash endpoint since SB3-Tank 51. This study included three simulations of the DWPF Sludge Receipt and Adjustment Tank (SRAT) cycle and Slurry Mix Evaporator (SME) cycle with the sludge-only flowsheet at nominal DWPF processing conditions and three different acid stoichiometries. These runs produced a set of recommendations that were used to guide the successful SRNL qualification SRAT/SME demonstration with actual Tank 51 washed waste. The second study involved five SRAT/SME runs with SB8-Tank 40 simulant. Four of the runs were designed to define the acid requirements for sludge-only processing in DWPF with respect to nitrite destruction and hydrogen generation. The fifth run was an intermediate acid stoichiometry demonstration of the coupled flowsheet for SB8. These runs produced a set of processing

  15. DWPF simulant CPC studies for SB8

    International Nuclear Information System (INIS)

    Koopman, D. C.; Zamecnik, J. R.

    2013-01-01

    The Savannah River National Laboratory (SRNL) accepted a technical task request (TTR) from Waste Solidification Engineering to perform simulant tests to support the qualification of Sludge Batch 8 (SB8) and to develop the flowsheet for SB8 in the Defense Waste Processing Facility (DWPF). These efforts pertained to the DWPF Chemical Process Cell (CPC). Separate studies were conducted for frit development and glass properties (including REDOX). The SRNL CPC effort had two primary phases divided by the decision to drop Tank 12 from the SB8 constituents. This report focuses on the second phase with SB8 compositions that do not contain the Tank 12 piece. A separate report will document the initial phase of SB8 testing that included Tank 12. The second phase of SB8 studies consisted of two sets of CPC studies. The first study involved CPC testing of an SB8 simulant for Tank 51 to support the CPC demonstration of the washed Tank 51 qualification sample in the SRNL Shielded Cells facility. SB8-Tank 51 was a high iron-low aluminum waste with fairly high mercury and moderate noble metal concentrations. Tank 51 was ultimately washed to about 1.5 M sodium which is the highest wash endpoint since SB3-Tank 51. This study included three simulations of the DWPF Sludge Receipt and Adjustment Tank (SRAT) cycle and Slurry Mix Evaporator (SME) cycle with the sludge-only flowsheet at nominal DWPF processing conditions and three different acid stoichiometries. These runs produced a set of recommendations that were used to guide the successful SRNL qualification SRAT/SME demonstration with actual Tank 51 washed waste. The second study involved five SRAT/SME runs with SB8-Tank 40 simulant. Four of the runs were designed to define the acid requirements for sludge-only processing in DWPF with respect to nitrite destruction and hydrogen generation. The fifth run was an intermediate acid stoichiometry demonstration of the coupled flowsheet for SB8. These runs produced a set of processing

  16. Thermal analysis and phase diagrams of the LiF BiF3 e NaF BiF3 systems

    International Nuclear Information System (INIS)

    Nakamura, Gerson Hiroshi de Godoy

    2013-01-01

    Investigations of the binary systems LiF-BiF 3 and NaF-BiF 3 were performed with the objective of clarifying the thermal behavior and phase equilibria of these systems and their intermediary phases, an important requisite for high-quality crystal growth. Several samples in the entire range of compositions (0 to 100 mol% BiF 3 ) of both systems were subjected to experiments of differential thermal analysis (DTA) and thermogravimetry (TG), and also of differential scanning calorimetry (DSC). A few specific compositions were selected for X-ray diffraction to supplement the experimental data. Due to the high vulnerability of BiF 3 to oxygen contamination, its volatility and propensity to destroy metal parts upon heating, it was necessary to determine the optimal conditions for thermal analysis before investigating the systems themselves. Phase relations in the system LiF-BiF 3 were completely clarified and a phase diagram was calculated and evaluated via the commercial software Factsage. The diagram itself consists in a simple peritectic system in which the only intermediary compound, LiBiF 4 , decomposes into LiF and a liquid phase. The NaF-BiF 3 system could not be completely elucidated and the phase relations in the NaF poor side (> 50% BiF 3 ) are still unknown. In the NaF rich side, however, the possible peritectoid decomposition of the compound NaBiF 4 was identified. In both systems X-ray diffraction yielded crystal structures discrepant with the literature for the intermediary phases, LiBiF 4 , NaBiF 4 and a solid solution of NaF and BiF 3 called I. The observed structures remain unknown and explanations for the discrepancies were proposed. (author)

  17. Luminescence studies on Sb3+ co-doped Y2Sn2O7: Tb nanoparticles

    International Nuclear Information System (INIS)

    Nigam, Sandeep; Sudarsan, V.; Vatsa, R.K.

    2008-01-01

    Pyrochlore-type oxides (A 2 B 2 O 7 ) have emerged as important host matrices for lanthanide doped luminescent materials due to their good thermal stability. Due to the higher symmetry around the A and B cations in the lattice lanthanide ions like Eu 3+ and Tb 3+ when incorporated at the A or B sites give very poor luminescence. One way to circumvent this problem is to incorporate ions like Sb 3+ or Bi 3+ in the lattice so that the lattice get distorted and luminescent intensity from the lanthanide ions increases. The present study deals with the synthesis and characterisation of Sb 3+ co-doped Y 2 Sn 2 O 7 :Tb nanoparticles prepared by the hydrolysis of Y 3+ , Sn 4+ , Tb 3+ and Sb 3+ in ethylene glycol medium followed by heating at 700 deg C for 4 hours. From XRD studies it is confirmed that as prepared sample is amorphous and heat treatment at 700 deg C results in the formation of highly crystalline Y 2 Sn 2 O 7 phase having pyrochlore structure

  18. The Microstructure and Tensile Properties of a Newly Developed Mg-Al/Mg3Sb2 In Situ Composite in As-Cast and Extruded Conditions

    Science.gov (United States)

    Montajabnia, A.; Pourbahari, B.; Emamy, M.

    2018-04-01

    The microstructures and tensile properties of Mg-x wt%Al-y wt%Sb alloys have been studied where x/y ratio was 1 and Sb(Al) contents were 5, 10, 15 and 20 wt%, respectively. The results indicated that by increasing Sb(Al) content, not only the crystals of primary Mg3Sb2 alter from small flake-like particles to polygonal or needle-like morphology, but also the eutectic structure changes from semi-continuous network in Mg-5Al-5Sb to continuous network in Mg-20Sb-20Al alloy. The results obtained from thermal analysis revealed different peaks related to the formation of Mg3Sb2 as primary phase and eutectic structure containing Mg17Al12 + Al3Mg2 intermetallic phases. Further results also revealed that Sb(Al) additions change the solidification performance of the material by depressing the Mg3Sb2 nucleation temperature, reducing solidification range and widening eutectic area. Tensile testing results showed that with the increase in Sb (Al) content, ultimate tensile strength (UTS) and elongation values of the alloys are decreased in as-cast condition. But, significant improvement in the UTS and elongation values of the extruded specimens was attributed to the severe fragmentation of intermetallic phases and well distributed fine particles in the matrix which provided proper obstacles for dislocation motion. It was interesting to note that the fracture behavior of intermetallic particles was found to be different, while Mg3Sb2 was ductile, intermetallic compounds in eutectic regions were brittle.

  19. Sb(V reactivity with human blood components: redox effects.

    Directory of Open Access Journals (Sweden)

    Silvana López

    Full Text Available We assessed the reactivity of Sb(V in human blood. Sb(V reactivity was determined using an HPLC-HG-AFS hyphenated system. Sb(V was partially reduced to Sb(III in blood incubation experiments; however, Sb(III was a highly unstable species. The addition of 0.1 mol L(-1 EDTA prevented Sb(III oxidation, thus enabling the detection of the reduction of Sb(V to Sb(III. The transformation of Sb(V to Sb(III in human whole blood was assessed because the reduction of Sb(V in human blood may likely generate redox side effects. Our results indicate that glutathione was the reducing agent in this reaction and that Sb(V significantly decreased the GSH/GSSG ratio from 0.32 ± 0.09 to 0.07 ± 0.03. Moreover, the presence of 200 ng mL(-1 of Sb(V increased the activity of superoxide dismutase from 4.4 ± 0.1 to 7.0 ± 0.4 U mL(-1 and decreased the activity of glutathione peroxidase from 62 ± 1 to 34 ± 2 nmol min(-1 mL(-1.

  20. Compositional and structural characterisation of GaSb and GaInSb

    International Nuclear Information System (INIS)

    Corregidor, V.; Alves, E.; Alves, L.C.; Barradas, N.P.; Duffar, Th.; Franco, N.; Marques, C.; Mitric, A.

    2005-01-01

    Low band gap III-V semiconductors are researched for applications in thermophotovoltaic technology. GaSb crystal is often used as a substrate. Ga 1-x In x Sb is also a promising substrate material, because its lattice parameters can be adjusted by controlling x. We used a new method to synthesise GaSb and GaInSb, in which a high frequency alternate magnetic field is used to heat, to melt and to mix the elements. We present a compositional and structural characterisation of the materials using a combination of complementary techniques. Rutherford backscattering was used to determine accurately the composition of the GaSb. With proton induced X-ray emission in conjunction with a 3 x 3 μm 2 micro-beam we studied the homogeneity of the samples. Structural analysis and phase identification were done with X-ray diffraction. The results for GaSb show a homogeneous composition while the GaInSb samples were found to be strongly heterogeneous at the end of the ingot. The ingots produced are competitive feed material, when compared to other growth techniques, to be used in a second step for the production of good quality ternary crystals

  1. The Fermi surface of CeSb

    International Nuclear Information System (INIS)

    Crabtree, G.W.; Aoki, H.; Joss, W.; Hulliger, F.

    1987-01-01

    This paper uses accurate Fermi surface measurements as a test of hybridization models in CeSb. Detailed measurements of the Fermi surface geometry and effective masses are presented which show a number of unusual properties associated with the magnetic structure and anisotropy. Measurements are compared with predictions of a band structure in which the f-electron is assumed to be local, interacting with the conduction electrons only through anisotropic Coulomb and exchange interactions. This model reproduces all the unusual features observed in the measurements and suggests that hybridization is not essential to describing the electronic properties of CeSb

  2. Binuclear model of an Sb-galaxy

    International Nuclear Information System (INIS)

    Nezhinskij, E.M.

    1980-01-01

    To explain the causes of origin of the observed peculiarities of SB-galaxies a self-consistent stable model of an Sb-galaxy is constructed. The evolutionary scheme of origin of this model is described. The model consists of an extensive spherical corona, of two point nuclei and of a cloud of particles of infinitely small mass, the latter being bar-shaped and situated in the neighbourhood of the nuclei. The model has the following properties: the nuclei move along the circular orbit, whose centre coincides with that of the corona; the motion of the particles of the bar-shaped cloud is stable in the sense of Hill [ru

  3. Quadrupole interaction studies of Hg in Sb

    International Nuclear Information System (INIS)

    Soares, J.C.; Krien, K.; Herzog, P.; Folle, H.R.; Freitag, K.; Reuschenbach, F.; Reuschenbach, M.; Trzcinski, R.

    1978-01-01

    Time differential perturbed angular correlation and nuclear orientation studies of the electric quadrupole interaction for Hg in Sb have been performed. The effective field gradients at room temperature and below 0.05K have been derived. These two values are no indication for an anomalous temperature dependence of the effective field gradient for Hg in Sb. The value of the electric field gradient fits well into the systematics for Hg in other hosts. It is shown that the electronic enhancements of the field gradients are correlated to the valence of the impurities and are rather insensitive to the host properties. (orig./HPOE) [de

  4. The Structure and Magnetic Properties of Pr 3MO7 with M = Nb, Ta, and Sb

    Science.gov (United States)

    Vente, J. F.; Helmholdt, R. B.; IJdo, D. J. W.

    1994-01-01

    The crystal structure of the fluorite-related praseodymium compounds with the composition Pr 3MO7, M = Nb, Ta, and Sb, have been determined using Rietveld refinement from X-ray and neutron powder diffraction data at 293 and 4 K. The structure described is orthorhombic with space group Cmcm (No. 63). It is a superstructure of the cubic fluorite structure with unit cell parameters a orth ≈ 2a c, b orth ≈ c orth ≈ a c2, as in La 3NbO 7. This structure consists of chains of corner linked MO 6 octahedra parallel with the c-axis. The magnetic susceptibility was measured between 4 and 300 K. The compounds obey the Curie-Weiss law including a Van Vleck temperature independent term. Pr 3SbO 7 shows a small deviation from this law below 25 K.

  5. Critical evaluation and thermodynamic optimization of the U-Pb and U-Sb binary systems

    International Nuclear Information System (INIS)

    Wang, Jian; Jin, Liling; Chen, Chuchu; Rao, Weifeng; Wang, Cuiping; Liu, Xingjun

    2016-01-01

    A complete literature review, critical evaluation and thermodynamic optimization of the phase diagrams and thermodynamic properties of U-Pb and U-Sb binary systems are presented. The CALculation of PHAse Diagrams (CALPHAD) method was used for the thermodynamic optimization, the results of which can reproduce all available reliable experimental phase equilibria and thermodynamic data. The modified quasi-chemical model in the pair approximation (MQMPA) was used for modeling the liquid solution. The Gibbs energies of all terminal solid solutions and intermetallic compounds were described by the compound energy formalism (CEF) model. All reliable experimental data of the U-Pb and U-Sb systems have been reproduced. A self-consistent thermodynamic database has been constructed for these binary systems; this database can be used in liquid-metal fuel reactor (LMFR) research.

  6. Development of half metallicity within mixed magnetic phase of Cu1‑x Co x MnSb alloy

    Science.gov (United States)

    Bandyopadhyay, Abhisek; Neogi, Swarup Kumar; Paul, Atanu; Meneghini, Carlo; Bandyopadhyay, Sudipta; Dasgupta, Indra; Ray, Sugata

    2018-05-01

    Cubic half-Heusler Cu1‑x Co x MnSb () compounds have been investigated both experimentally and theoretically for their magnetic, transport and electronic properties in search of possible half metallic antiferromagnetism. The systems (Cu,Co)MnSb are of particular interest as the end member alloys CuMnSb and CoMnSb are semi metallic (SM) antiferromagnetic (AFM) and half metallic (HM) ferromagnetic (FM), respectively. Clearly, Co-doping at the Cu-site of CuMnSb introduces changes in the carrier concentration at the Fermi level that may lead to half metallic ground state but there remains a persistent controversy whether the AFM to FM transition occurs simultaneously. Our experimental results reveal that the AFM to FM magnetic transition occurs through a percolation mechanism where Co-substitution gradually suppresses the AFM phase and forces FM polarization around every dopant cobalt. As a result a mixed magnetic phase is realized within this composition range while a nearly HM band structure is developed already at the 10% Co-doping. Absence of T 2 dependence in the resistivity variation at low T-region serves as an indirect proof of opening up an energy gap at the Fermi surface in one of the spin channels. This is further corroborated by the ab initio electronic structure calculations that suggests that a nearly ferromagnetic half-metallic ground state is stabilized by Sb-p holes produced upon Co doping.

  7. Influence of Li₂Sb Additions on Microstructure and Mechanical Properties of Al-20Mg₂Si Alloy.

    Science.gov (United States)

    Yu, Hong-Chen; Wang, Hui-Yuan; Chen, Lei; Zha, Min; Wang, Cheng; Li, Chao; Jiang, Qi-Chuan

    2016-03-29

    It is found that Li₂Sb compound can act as the nucleus of primary Mg₂Si during solidification, by which the particle size of primary Mg₂Si decreased from ~300 to ~15-25 μm. Owing to the synergistic effect of the Li₂Sb nucleus and adsorption-poisoning of Li atoms, the effect of complex modification of Li-Sb on primary Mg₂Si was better than that of single modification of Li or Sb. When Li-Sb content increased from 0 to 0.2 and further to 0.5 wt.%, coarse dendrite changed to defective truncated octahedron and finally to perfect truncated octahedral shape. With the addition of Li and Sb, ultimate compression strength (UCS) of Al-20Mg₂Si alloys increased from ~283 to ~341 MPa and the yield strength (YS) at 0.2% offset increased from ~112 to ~179 MPa while almost no change was seen in the uniform elongation. Our study offers a simple method to control the morphology and size of primary Mg₂Si, which will inspire developing new Al-Mg-Si alloys with improved mechanical properties.

  8. Interface characterization of InSb MOS structures

    Energy Technology Data Exchange (ETDEWEB)

    Shapira, Y.; Bregman, J.; Calahorra, Z.; Goshen, R.

    1982-03-26

    The electrical properties of MOS devices are critically dependent on the oxide-semiconductor interface. The preparation of suitable insulating layers of oxide or other material is essential for the performance of such devices and it is particularly difficult in the case of III-V compound semiconductors. We report a method of preparing an insulating layer on InSb by a plasma oxidation process. The oxidation method will be described as well as results of the analysis of the oxide-semiconductor interface by electrical and compositional techniques. Capacitance-voltage characteristics reveal the existence of interface states which are distributed near the conduction and the valence bands with a higher density near the former. Depth profiling of the oxide by Ar/sup +/ sputtering and Auger electron spectroscopy (AES) shows that the oxide is composed of a mixture of indium oxide with antimony oxide.

  9. Bi-Provincial Upgrader

    International Nuclear Information System (INIS)

    1997-01-01

    Husky Oil's Bi-Provincial Upgrader is located in the rural municipality of Wilton, east of Lloydminster, Saskatchewan. It is jointly owned by Husky Oil and the Saskatchewan government. The upgrader is designed to produce 7.300 m 3 /cd of synthetic crude from 8.440 m 3 /cd of diluted Lloyd blend and distillates from the existing Lloydminster refinery. The designed coke and sulphur production is 415 t/day and 240 t/day respectively. Chronology of the Bi-Provincial Upgrader project was presented, along with details of the heavy oil feedstock properties for Cold Lake, Lloydminster and Lloyd Blend. Upgrader production history since start-up, synthetic crude oil customers, and the evolution of prices for Edmonton light vs. Husky LLB at Hardisty were also reviewed. 3 tabs., 9 figs

  10. InSb semiconductors and (In,Mn)Sb diluted magnetic semiconductors: Growth and properties

    International Nuclear Information System (INIS)

    Tran, Lien

    2011-01-01

    This dissertation describes investigations of the growth by molecular beam epitaxy and the characterization of the semiconductor InSb as well as the diluted magnetic semiconductor (DMS) In 1-x Mn x Sb. The InSb films were grown on GaAs (001) substrate and Si (001) offcut by 4 toward (110) substrate up to a thickness of about 2 μm, in spite of a large lattice mismatch between the epi-layer and substrate (14.6% between InSb and GaAs, and 19.3% between InSb and Si). After optimizing the growth conditions, the best InSb films grown directly on GaAs without any special technique results in a high crystal quality, low noise, and an electron mobility of 41100 cm 2 /V s Vs with associated electron concentration of 2.9.10 6 cm -3 at 300 K. Such structures could be used, for example, for infrared detector structures. The growth of InSb on Si, however, is a challenge. In order to successfully grow InSb on Si, tilted substrates and the insertion of buffer layers were used, which helps to reduce the lattice mismatch as well as the formation of defects, and hence to improve the crystal quality. An electron mobility of 24000 cm 2 /V s measured at 300 K, with an associated carrier concentration of 2.6.10 1 6 cm -3 is found for the best sample that was grown at 340 C with a 0.06 μm-thick GaSb/AlSb superlattice buffer layer. The smaller value of electron mobility (compared to the best GaAsbased sample) is related to a higher density of microtwins and stacking faults as well as threading dislocations in the near-interface region as shown by transmission electron microscopy. Deep level noise spectra indicate the existence of deep levels in both GaAs and Si-based samples. The samples grown on Si exhibit the lowest Hooge factor at 300 K, lower than the samples grown on GaAs. Taking the optimized growth conditions of InSb/GaAs, the diluted magnetic semiconductor In 1-x Mn x Sb/GaAs (001) is prepared by adding a few percent of Mn into the host material InSb during growth. I have

  11. Photoelectrochemical properties of TiO2 Nanotube Arrays Modified with BiOCl nanosheets

    International Nuclear Information System (INIS)

    Liu, Haipeng; Xu, Guangqing; Wang, Jinwen; Lv, Jun; Zheng, Zhixiang; Wu, Yucheng

    2014-01-01

    Highlights: • BiOCl were deposited on TiO2 NTAs by sequential chemical bath deposition. • BiOCl can decrease background photocurrent and increase current response. • High sensitivity BiOCl/TiO2 is due to the direct oxidation of organics on BiOCl. - Abstract: BiOCl nanosheets were deposited on anodized TiO 2 nanotube arrays (NTAs) by sequential chemical bath deposition method to get BiOCl/TiO 2 NTAs for photoelectrochemical detection of organic compounds (represented by glucose). The structures, elemental components and morphologies of TiO 2 and BiOCl/TiO 2 NTAs were characterized by using X-ray diffraction diffractometer, scanning electron microscope and transmission electron microscope. The photoelectrochemical behaviors of TiO 2 and BiOCl/TiO 2 NTAs in the buffer and glucose solutions were measured by cyclic votammetry and amperometry with different optical powers. The modification of BiOCl nanosheets on TiO 2 NTAs decreases the photocurrents of TiO 2 NTAs in the buffer solution and increases the current response to glucose. Both of the background photocurrent decrease and current response increase are benefit for photoelectrochemical detection of organic compounds. When glucose was used as the target organic compound, the optimized BiOCl/TiO 2 NTAs sensor achieved a sensitivity of 0.327 μA/μM (0.417 μA·cm −2 ·μM −1 ), linear range from 0 to 1300 μM and calculated detection limit of 5.7 μM. Mechanisms of BiOCl modification were studied by measuring the optical absorption and hydroxyl radical HO· productivity. The transfer of holes from TiO 2 to BiOCl and the direct oxidation of organic compounds on BiOCl nanosheets led to the decrease of background photocurrent (lower reaction rate of water splitting on BiOCl nanosheets) and the increase of current response to organic compounds (higher reaction rate of direct oxidation of organic compounds)

  12. Electronic structure and physical properties of Heusler compounds for thermoelectric and spintronic applications

    Energy Technology Data Exchange (ETDEWEB)

    Ouardi, Siham

    2012-03-19

    This thesis focuses on synthesis as well as investigations of the electronic structure and properties of Heusler compounds for spintronic and thermoelectric applications. The first part reports on the electronic and crystal structure as well as the mechanical, magnetic, and transport properties of the polycrystalline Heusler compound Co{sub 2}MnGe. The crystalline structure was examined in detail by extended X-ray absorption fine structure spectroscopy and anomalous X-ray diffraction. The low-temperature magnetic moment agrees well with the Slater-Pauling rule and indicates a half-metallic ferromagnetic state of the compound, as is predicted by ab-initio calculations. Transport measurements and hard X-ray photoelectron spectroscopy (HAXPES) were performed to explain the electronic structure of the compound. A major part of the thesis deals with a systematical investigation of Heusler compounds for thermoelectric applications. This thesis focuses on the search for new p-type Heusler compounds with high thermoelectric efficiency. The substitutional series NiTi{sub 1-x}M{sub x}Sn (where M=Sc, V and 0compound. The pure compounds showed n-type behavior, while under Sc substitution the system switched to p-type behavior. A maximum Seebeck coefficient of +230 {mu}V/K (350 K) was obtained for NiTi{sub 0.26}Sc{sub 0.04}Zr{sub 0.35}Hf{sub 0.35}Sn. HAXPES valence band measurement show massive in gap states for the parent compounds NiTiSn, CoTiSb and NiTi{sub 0.3}Zr{sub 0.35}Hf{sub 0.35}Sn. This proves that the electronic states close to the Fermi energy play a key role for the behavior of the transport properties. Furthermore, the electronic structure of the gapless Heusler compounds PtYSb, PtLaBi and PtLuSb were investigated by bulk

  13. Metal - Insulator Transition Driven by Vacancy Ordering in GeSbTe Phase Change Materials

    OpenAIRE

    Bragaglia, Valeria; Arciprete, Fabrizio; Privitera, Stefania; Rimini, Emanuele; Mazzarello, Riccardo; Calarco, Raffaella; Zhang, Wei; Mio, Antonio Massimiliano; Zallo, Eugenio; Perumal, Karthick; Giussani, Alessandro; Cecchi, Stefano; Boschker, Jos Emiel; Riechert, Henning

    2016-01-01

    Phase Change Materials (PCMs) are unique compounds employed in non-volatile random access memory thanks to