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Sample records for se te compounds

  1. Half-metallic ferromagnetism of RbSe and CsTe compounds: A density functional theory study

    NASA Astrophysics Data System (ADS)

    Xie, Huan-Huan; Ma, Run-Yu; Gao, Qiang; Li, Lei; Deng, Jian-Bo

    2016-09-01

    We investigate the electronic structures and magnetic properties of RbSe and CsTe compounds in CsCl, RS and ZB structures by using density functional theory calculation. It is shown that these two compounds exhibit half-metallic ferromagnetism with an integer magnetic moment of 1.00 μB per formula unit in all the three structures. Total energy calculations indicate the CsCl phase is more stable than the other two phases. We investigate these two compounds with CsCl structure in detail. The ferromagnetism results mainly from the spin-polarization of p states of anion Se (Te) for the two compounds.

  2. Liquid-Phase Epitaxial Growth of ZnS, ZnSe and Their Mixed Compounds Using Te as Solvent

    NASA Astrophysics Data System (ADS)

    Nakamura, Hiroshi; Aoki, Masaharu

    1981-01-01

    Epitaxial layers of ZnS, ZnSe and their mixed compounds were grown on ZnS substrates by the liquid-phase epitaxial growth (LPE) method using Te as the solvent. The open-tube slide-boat technique was used, and a suitable starting temperature for growth was found to be 850°C for ZnS and 700-800°C for ZnSe. The ZnS epitaxial layers grown on {111}A and {111}B oriented ZnS substrates were thin (˜1 μm) and smooth, had low, uniform Te concentrations (˜0.1 at.%) and were highly luminescent. The ZnSe epitaxial layers were relatively thick (10-30 μm) and had fairly high Te concentrations (a few at.%). Various mixed compound ZnS1-xSex were also grown on ZnS substrates.

  3. Comparative study of E⋯N (E=Se/Te) intramolecular interactions in organochalcogen compounds using density functional theory.

    PubMed

    Panda, Arunashree; Behera, Raghu Nath

    2014-03-30

    The intramolecular E⋯N (E=Se, Te) interactions between the selenium (and tellurium) and the nitrogen atom in four series of o-substituted organochalcogen compounds have been analyzed using density functional theory. The nature and the strength of this interactions and their dependence on substituents and the rigidity are predicted using B3LYP/6-31G(d)/LanL2DZ method. The strength of these E⋯N interactions are found to be dependent on the nature of EX (X=Cl, Br, I, SPh, CH2Ph; Ph: Phenyl) acceptor orbitals and follows the order I>Br>Cl>SPh>CH2Ph. The Natural Bond Orbital (NBO) analysis using DFT methods points to nN→σE-X electron delocalization as the key contributing factor toward E⋯N nonbonding interactions. Both NBO and AIM methods suggest that the intramolecular interaction in these compounds is dominantly covalent in nature. Studies on the effect of solvent on the E⋯N interactions show that polar solvent stabilizes these interactions by shortening the E⋯N distances. PMID:24412286

  4. Ab-initio study of half-metallic ferromagnetism in Co/Ni substituted Li2X (X=S, Se, Te) compounds

    NASA Astrophysics Data System (ADS)

    Jaiganesh, G.; Jaya, S. Mathi

    2016-11-01

    Electronic structure and half-metallic ferromagnetism of Co/Ni substituted Li2X (X=S, Se, Te) have been studied using the ab-initio method. Appropriately constructed supercells along with the full structural optimization of these cells are used for studying the effect of one and two Co/Ni ions substitution on the magnetism and electronic properties of these compounds. Our results reveal that the Co/Ni ions can induce ferromagnetic ground state in these compounds. Both one and two Co/Ni ions substituted Li2X (X=S, Se, Te) exhibit half-metallic behavior (except for Co substituted Te systems), thereby exhibiting 100% spin polarization. We further observed that the electron correlation effects on these materials do not affect the half-metallic ferromagnetism of these compounds. Curie temperature (Tc) of these compounds is also estimated. The Co/Ni substituted Li2X (X=S, Se, Te) compounds are thus an interesting class of half-metallic materials that deserve further studies.

  5. Competition between the Direct Exchange Interaction and Superexchange Interaction in Layered Compounds LiCrSe2, LiCrTe2, and NaCrTe2 with a Triangular Lattice.

    PubMed

    Kobayashi, Shintaro; Ueda, Hiroaki; Michioka, Chishiro; Yoshimura, Kazuyoshi

    2016-08-01

    Physical properties of new S = 3/2 triangular-lattice compounds LiCrSe2, LiCrTe2, and NaCrTe2 have been investigated by X-ray diffraction and magnetic measurements. These compounds crystallize in the ordered NiAs-type structure, where alkali metal ions and Cr atoms stack alternately. Despite their isomorphic structures, magnetic properties of these three compounds are different; NaCrTe2 has an A-type spin structure with ferromagnetic layers, LiCrTe2 is likely to exhibit a helical spin structure, and LiCrSe2 shows a first-order-like phase transition from the paramagnetic trigonal phase to the antiferromagnetic monoclinic phase. In these compounds and the other chromium chalcogenides with a triangular lattice, we found a general relationship between the Curie-Weiss temperature and magnetic structures. This relation indicates that the competition between the antiferromagnetic direct d-d exchange interaction and the ferromagnetic superexchange interaction plays an important role in determining the ground state of chromium chalcogenides. PMID:27400024

  6. Zinc-blende compounds of transition elements with N, P, As, Sb, S, Se, and Te as half-metallic systems

    NASA Astrophysics Data System (ADS)

    Galanakis, Iosif; Mavropoulos, Phivos

    2003-03-01

    We report systematic first-principles calculations for ordered zinc-blende compounds of the transition metal elements V, Cr, and Mn with the sp elements N, P, As, Sb, S, Se, and Te, motivated by a recent fabrication of zinc-blende CrAs, CrSb, and MnAs. They show a ferromagnetic half-metallic behavior for a wide range of lattice constants. We discuss the origin and trends of half-metallicity, present the calculated equilibrium lattice constants, and examine the half-metallic behavior of their transition element terminated (001) surfaces.

  7. Electronic and Optical Properties of BaO, BaS, BaSe, BaTe and BaPo Compounds Under Hydrostatic Pressure

    NASA Astrophysics Data System (ADS)

    Drablia, S.; Meradji, H.; Ghemid, S.; Boukhris, N.; Bouhafs, B.; Nouet, G.

    We have performed first-principle full-potential (linear) augmented plane wave plus local orbital calculations (FP-L/APW + l0) with density functional theory (DFT) in local density approximation (LDA) and generalized gradient approximation (GGA), with the aim to determine and predict the electronic and optical properties of rocksalt BaO, BaS, BaSe, BaTe and BaPo compounds. First we present the main features of the electronic properties of these compounds, where the electronic band structure shows that the fundamental energy gap is indirect (Γ-X) for all compounds except for BaO which is direct (X-X). The different interband transitions have been determined from the imaginary part of the dielectric function. The real and imaginary parts of the dielectric function and the reflectivity are calculated. We have presented the assignment of the different optical transitions existing in these compounds from the imaginary part of the dielectric function spectra with respect to their correspondence in the electronic band. We have also calculated the pressure and volume dependence of the optical properties for these compounds.

  8. B1 B2 structural phase transition and elastic properties of UX (X = S, Se, and Te) compounds at high pressure

    NASA Astrophysics Data System (ADS)

    Varshney, Dinesh; Kaurav, N.; Kinge, R.; Singh, R. K.

    2007-06-01

    Pressure induced structural phase transformation and mechanical properties of NaCl-type (B1) to CsCl-type (B2) structure in uranium monochalcogenides (UX; X = S, Se, and Te) are presented. An effective interionic interaction potential is constructed, consisting of the long-range Coulomb and the Hafemeister and Flygare type short-range overlap repulsion extended up to the second-neighbour ions and the van der Waals (vdW) interaction. Particular attention is devoted to evaluate the vdW coefficients following the Slater-Kirkwood variational method, as both the ions are polarizable. Our calculated results have revealed reasonably good agreement with the available experimental data on the phase transition pressures (Pt = 81, 21, 13 GPa) and the elastic properties of UX (X = S, Se, and Te). The equation of state curves (plotted between V (P)/V (0) and pressure) for both the NaCl-type (B1) and CsCl-type (B2) structures obtained by us are in fairly good agreement with the experimental results. The calculated values of the volume collapses (ΔV (P)/V (0)) are also closer to their observed data. The variations of the second- and third-order elastic constants with pressure have followed systematic trends, which are almost identical to those exhibited by the measured and observed data in other compounds of the NaCl-type structure family.

  9. Phase stabilities of pyrite-related MTCh compounds (M=Ni, Pd, Pt; T=Si, Ge, Sn, Pb; Ch=S, Se, Te): A systematic DFT study

    SciTech Connect

    Bachhuber, Frederik; Krach, Alexander; Furtner, Andrea; Söhnel, Tilo; Peter, Philipp; Rothballer, Jan; Weihrich, Richard

    2015-03-15

    Pyrite-type and related systems appear for a wide range of binary and ternary combinations of transition metals and main group elements that form Zintl type dumbbell anion units. Those representatives with 20 valence electrons exhibit an extraordinary structural flexibility and interesting properties as low-gap semiconductors or thermoelectric and electrode materials. This work is devoted to the systematic exploration of novel compounds within the class of MTCh compounds (M=Ni, Pd, Pt; T=Si, Ge, Sn, Pb; Ch=S, Se, Te) by means of density functional calculations. Their preferred structures are predicted from an extended scheme of colored pyrites and marcasites. To determine their stabilities, competing binary MT{sub 2} and MCh{sub 2} boundary phases are taken into account as well as ternary M{sub 3}T{sub 2}Ch{sub 2} and M{sub 2}T{sub 3}Ch{sub 3} systems. Recently established stability diagrams are presented to account for MTCh ordering phenomena with a focus on a not-yet-reported ordering variant of the NiAs{sub 2} type. Due to the good agreement with experimental data available for several PtTCh systems, the predictions for the residual systems are considered sufficiently accurate. - Graphical abstract: Compositional and structural stability of MTCh compounds is investigated from first principle calculations. A conceptional approach is presented to study and predict novel stable and metastable compounds and structures of low gap semiconductors with TCh dumbbell units that are isoelectronic and structurally related to pyrite (FeS{sub 2}). - Highlights: • Study of compositional stability of MTCh vs. M{sub 3}T{sub 2}Ch{sub 2} and M{sub 2}T{sub 3}Ch{sub 3} compounds. • Study of structural stability of known and novel MTCh compounds. • Prediction of novel stable and metastable structures and compounds isoelectronic to pyrite, FeS{sub 2}.

  10. First-Principles Study of Structural, Optical, and Thermodynamic Properties of ZnIn2X4 (X = Se, Te) Compounds with DC or DF Structure

    NASA Astrophysics Data System (ADS)

    Reguieg, S.; Baghdad, R.; Abdiche, A.; Bezzerrouk, M. A.; Benyoucef, B.; Khenata, R.; Bin-Omran, S.

    2016-08-01

    Structural and optoelectronic properties of ZnIn2Se4 and ZnIn2Te4 compounds in defect chalcopyrite (DC) and defect famatinite (DF) structures have been calculated by the full-potential linearized augmented plane-wave (FP-LAPW) method within density functional theory (DFT) as implemented in the WIEN2K package. For the exchange correlation effects, we adopted the Perdew-Burke-Ernzerhof (PBE) generalized gradient approximation (GGA) for structural calculations and the Tran-Blaha-modified Becke-Johnson (TB-mBJ) functional for electronic properties. The lattice parameters (a, c) and internal parameters (x, y, z) are in good agreement with available results. The band structures prove that these kinds of material have a direct bandgap (Γ-Γ) in both structures. Optical properties such as the dielectric function ɛ(ω) and refractive index n(ω) were calculated in the energy range from 0 eV to 14 eV. Thermodynamic properties were also analyzed using the quasiharmonic Debye model.

  11. Heterojunctions of model CdTe/CdSe mixtures

    SciTech Connect

    van Swol, Frank; Zhou, Xiaowang W.; Challa, Sivakumar R.; Martin, James E.

    2015-03-18

    We report on the strain behavior of compound mixtures of model group II-VI semiconductors. We use the Stillinger-Weber Hamiltonian that we recently introduced, specifically developed to model binary mixtures of group II-VI compounds such as CdTe and CdSe. We also employ molecular dynamics simulations to examine the behavior of thin sheets of material, bilayers of CdTe and CdSe. The lattice mismatch between the two compounds leads to a strong bending of the entire sheet, with about a 0.5 to 1° deflection between neighboring planes. To further analyze bilayer bending, we introduce a simple one-dimensional model and use energy minimization to find the angle of deflection. The analysis is equivalent to a least-squares straight line fit. We consider the effects of bilayers which are asymmetric with respect to the thickness of the CdTe and CdSe parts. We thus learn that the bending can be subdivided into four kinds depending on the compressive/tensile nature of each outer plane of the sheet. We use this approach to directly compare our findings with experimental results on the bending of CdTe/CdSe rods. To reduce the effects of the lattice mismatch we explore diffuse interfaces, where we mix (i.e. alloy) Te and Se, and estimate the strain response.

  12. Heterojunctions of model CdTe/CdSe mixtures

    DOE PAGES

    van Swol, Frank; Zhou, Xiaowang W.; Challa, Sivakumar R.; Martin, James E.

    2015-03-18

    We report on the strain behavior of compound mixtures of model group II-VI semiconductors. We use the Stillinger-Weber Hamiltonian that we recently introduced, specifically developed to model binary mixtures of group II-VI compounds such as CdTe and CdSe. We also employ molecular dynamics simulations to examine the behavior of thin sheets of material, bilayers of CdTe and CdSe. The lattice mismatch between the two compounds leads to a strong bending of the entire sheet, with about a 0.5 to 1° deflection between neighboring planes. To further analyze bilayer bending, we introduce a simple one-dimensional model and use energy minimization tomore » find the angle of deflection. The analysis is equivalent to a least-squares straight line fit. We consider the effects of bilayers which are asymmetric with respect to the thickness of the CdTe and CdSe parts. We thus learn that the bending can be subdivided into four kinds depending on the compressive/tensile nature of each outer plane of the sheet. We use this approach to directly compare our findings with experimental results on the bending of CdTe/CdSe rods. To reduce the effects of the lattice mismatch we explore diffuse interfaces, where we mix (i.e. alloy) Te and Se, and estimate the strain response.« less

  13. The phase evolution mechanism in Fe(Se, Te) system

    NASA Astrophysics Data System (ADS)

    Liu, Jixing; Li, Chengshan; Zhang, Shengnan; Feng, Jianqing; Zhang, Pingxiang; Zhou, Lian

    2016-08-01

    The phase evolution mechanism in Fe(Se, Te) system during sintering was investigated with step-by-step heat treatment process. It was noticed that the diffusion processes between Fe and Se (Te) as well as that between Se and Te were both very important to the formation of superconducting Fe(Se, Te) phase with very uniform chemical composition. During heat treatment, solid solutions of (Se, Te)ss with different chemical composition were formed with the diffusion of Se atoms into Te solids and Te atoms into Se melts, simultaneously. Then with the increasing temperature, Fe atoms diffused into (Se, Te)ss, Fe(Se, Te)2 and Fe(Se, Te) phases were formed in sequence with the increasing Fe content. The chemical composition in melts became more and more uniform with the further increasing of sintering temperature and dwell time. Therefore, it was suggested that in order to achieve Fe(Se, Te) phase with high superconducting properties, it was necessary to enhance the diffusion process during sintering. The critical temperature of the sample, which was sintered at 700 °C for 12 h with slow cooling process and an O2-annealing process for 24 h, was above 14.0 K. This Tc value proved that a good superconducting β phase could be obtained under this sintering condition.

  14. Influence of Se Substitution in GeTe on Phase and Thermoelectric Properties

    NASA Astrophysics Data System (ADS)

    Yang, L.; Li, J. Q.; Chen, R.; Li, Y.; Liu, F. S.; Ao, W. Q.

    2016-11-01

    Lead-free GeTe compound shows good electrical properties but also high thermal conductivity. GeTe1- x Se x alloys with x = 0, 0.1, 0.2, 0.3, 0.4, and 0.5 have been prepared by conventional melting, quenching, and spark plasma sintering (SPS) techniques to study their phases and thermoelectric properties. Se was chosen as dopant element in GeTe to reduce the thermal conductivity. Experimental results showed that all alloys formed rhombohedral GeTe-based solid solution and minor cubic Ge phase without any phase arising from Se. The alloys retained the p-type conduction of GeTe. Substitution of Se for Te in GeTe increased its electrical resistivity, but increased its Seebeck coefficient and reduced its thermal conductivity significantly. Reduction of the carrier mobility was responsible for the increase of the electrical resistivity and Seebeck coefficient. Enhancement of the phonon scattering on Se solute atoms and minor phase Ge was responsible for the reduction of the thermal conductivity. As a result, the figure of merit ZT of GeTe1- x Se x alloys can be enhanced with proper Se substitution. A maximum ZT value of 1.17 at 773 K was eventually achieved in the GeTe0.7Se0.3 sample, being 26% higher than that of pure GeTe.

  15. Influence of Se Substitution in GeTe on Phase and Thermoelectric Properties

    NASA Astrophysics Data System (ADS)

    Yang, L.; Li, J. Q.; Chen, R.; Li, Y.; Liu, F. S.; Ao, W. Q.

    2016-07-01

    Lead-free GeTe compound shows good electrical properties but also high thermal conductivity. GeTe1-x Se x alloys with x = 0, 0.1, 0.2, 0.3, 0.4, and 0.5 have been prepared by conventional melting, quenching, and spark plasma sintering (SPS) techniques to study their phases and thermoelectric properties. Se was chosen as dopant element in GeTe to reduce the thermal conductivity. Experimental results showed that all alloys formed rhombohedral GeTe-based solid solution and minor cubic Ge phase without any phase arising from Se. The alloys retained the p-type conduction of GeTe. Substitution of Se for Te in GeTe increased its electrical resistivity, but increased its Seebeck coefficient and reduced its thermal conductivity significantly. Reduction of the carrier mobility was responsible for the increase of the electrical resistivity and Seebeck coefficient. Enhancement of the phonon scattering on Se solute atoms and minor phase Ge was responsible for the reduction of the thermal conductivity. As a result, the figure of merit ZT of GeTe1-x Se x alloys can be enhanced with proper Se substitution. A maximum ZT value of 1.17 at 773 K was eventually achieved in the GeTe0.7Se0.3 sample, being 26% higher than that of pure GeTe.

  16. Liquidus Projections of Bi-Se-Ga and Bi-Se-Te Ternary Systems

    NASA Astrophysics Data System (ADS)

    Lin, Po-han; Chen, Sinn-wen; Hwang, Jenn-dong; Chu, Hsu-shen

    2016-06-01

    This study determines the liquidus projections of both Bi-Se-Ga and Bi-Se-Te ternary systems which are constituent ternary systems of promising Bi-Se-Te-Ga thermoelectric materials. Ternary Bi-Se-Ga and Bi-Se-Te alloys are prepared. Their primary solidification phases are experimentally determined, and thermal analysis experiments are carried out. The liquidus projections are determined based on the ternary experimental results and phase diagrams of constituent binary systems. The Bi-Se-Ga system includes seven primary solidification phases, Bi, Ga, GaSe, Ga2Se3, Se, Bi2Se3, and (Bi2)n(Bi2Se3)m. In the Bi-Se-Te system, there are five primary solidification phases, Bi, (Bi2)n(Bi2Te3)m, Bi2(Se,Te)3, (Se,Te), and (Bi2)n(Bi2Se3)m. Both the (Bi2)n(Bi2Te3)m and (Bi2)n(Bi2Se3)m phases are not a single phase, but a collection of series undetermined phases. Large miscibility gaps are observed in the Bi-Se-Ga system. The temperatures of the invariant reactions, Liquid + Bi + GaSe = Ga and Liquid + Ga2Se3 = Bi + GaSe, are at 495 K (222 °C) and 533 K (260 °C), respectively.

  17. Near-infrared emission spectra of TeS, TeSe and Te2

    NASA Astrophysics Data System (ADS)

    Setzer, K. D.; Fink, E. H.

    2014-10-01

    Emission spectra of the radicals TeS, TeSe and Te2 in the near-infrared spectral region have been measured with a high-resolution Fourier-transform spectrometer. The molecules were generated in a fast-flow system by reacting microwave-discharged mixtures of Tex, Sx, and/or Sex vapour and Ar carrier gas and excited by energy transfer and energy pooling processes in collisions with metastable oxygen O2(a1Δg). The b1Σ+(b0+) → X3Σ-(X10+,X21) electric dipole transitions of TeS and TeSe and the b1Σ+g(b0+g) → X3Σ-g(X21g) magnetic dipole transition of Te2 were measured at medium and high spectral resolution. A very weak emission at 3356 cm-1 observed in the spectrum of TeSe was identified to be the 0-0 band of the hitherto unknown a1Δ(a2) → X3Σ-(X21) transition of the molecule. Analyses of the spectra have yielded a number of new or improved spectroscopic parameters of the molecules.

  18. Electronic Structure of Ni₂E₂ Complexes (E = S, Se, Te) and a Global Analysis of M₂E₂ Compounds: A Case for Quantized E₂(n-) Oxidation Levels with n = 2, 3, or 4.

    PubMed

    Yao, Shu A; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M; Götz, Andreas W; DeBeer, Serena; Berry, John F

    2015-04-22

    The diamagnetic compounds Cp'2Ni2E2 (1: E = S, 2: E = Se, 3: E = Te; Cp' = 1,2,3,4,-tetraisopropylcyclopentadienyl), first reported by Sitzmann and co-workers in 2001 [Sitzmann, H.; Saurenz, D.; Wolmershauser, G.; Klein, A.; Boese, R. Organometallics 2001, 20, 700], have unusual E···E distances, leading to ambiguities in how to best describe their electronic structure. Three limiting possibilities are considered: case A, in which the compounds contain singly bonded E2(2-) units; case B, in which a three-electron E∴E half-bond exists in a formal E2(3-) unit; case C, in which two E(2-) ions exist with no formal E-E bond. One-electron reduction of 1 and 2 yields the new compounds [Cp*2Co][Cp'2Ni2E2] (1red: E = S, 2red: E = Se; Cp* = 1,2,3,4,5-pentamethylcyclopentadieyl). Evidence from X-ray crystallography, X-ray absorption spectroscopy, and X-ray photoelectron spectroscopy suggest that reduction of 1 and 2 is Ni-centered. Density functional theory (DFT) and ab initio multireference methods (CASSCF) have been used to investigate the electronic structures of 1-3 and indicate covalent bonding of an E2(3-) ligand with a mixed-valent Ni2(II,III) species. Thus, reduction of 1 and 2 yields Ni2(II,II) species 1red and 2red that bear unchanged E2(3-) ligands. We provide strong computational and experimental evidence, including results from a large survey of data from the Cambridge Structural Database, indicating that M2E2 compounds occur in quantized E2 oxidation states of (2 × E(2-)), E2(3-), and E2(2-), rather than displaying a continuum of variable E-E bonding interactions.

  19. Optical Characterization of Bulk ZnSeTe Solid Solutions

    NASA Technical Reports Server (NTRS)

    Su, Ching-Hua; Feth, S.; Zhu, Shen; Lehoczky, S. L.; Wang, Ling Jun

    2000-01-01

    Optical characterization was performed on wafers sliced from crystals of ZnSe, ZnTe, and ZnSe(1-x)Te(x)(0 less than x less than 0.4) grown by physical vapor transport. Energy band gaps at room temperature were determined from optical transmission measurements on 11 wafers. A best fit curve to the band gap versus composition x data gives a bowing parameter of 1.45. This number lies between the value of 1.23 determined previously on ZnSeTe bulk crystals and the value of 1.621 reported on ZnSeTe epilayers. Low-temperature photoluminescence (PL) spectra were measured on six samples. The spectra of ZnSe and ZnTe were dominated by near band edge emissions and no deep donor-acceptor pairs were observed. The PL spectrum exhibited a broad emission for each of the ZnSe(1-x)Te(x) samples, 0.09 less than x less than 0.39. For x=0.09, this emission energy is about 0.2 eV lower than the band gap energy measured at low temperature. As x increases the energy discrepancy gradually decreases and reduces to almost zero at x=0.4. The single broad PL emission spectra and the spectra measured as a function of temperature were interpreted as being associated with the exciton bound to Te clusters because of the high Te content in these samples.

  20. Thermodynamic properties of model CdTe/CdSe mixtures

    DOE PAGES

    van Swol, Frank; Zhou, Xiaowang W.; Challa, Sivakumar R.; Martin, James E.

    2015-02-20

    We report on the thermodynamic properties of binary compound mixtures of model groups II–VI semiconductors. We use the recently introduced Stillinger–Weber Hamiltonian to model binary mixtures of CdTe and CdSe. We use molecular dynamics simulations to calculate the volume and enthalpy of mixing as a function of mole fraction. The lattice parameter of the mixture closely follows Vegard's law: a linear relation. This implies that the excess volume is a cubic function of mole fraction. A connection is made with hard sphere models of mixed fcc and zincblende structures. We found that the potential energy exhibits a positive deviation frommore » ideal soluton behaviour; the excess enthalpy is nearly independent of temperatures studied (300 and 533 K) and is well described by a simple cubic function of the mole fraction. Using a regular solution approach (combining non-ideal behaviour for the enthalpy with ideal solution behaviour for the entropy of mixing), we arrive at the Gibbs free energy of the mixture. The Gibbs free energy results indicate that the CdTe and CdSe mixtures exhibit phase separation. The upper consolute temperature is found to be 335 K. Finally, we provide the surface energy as a function of composition. Moreover, it roughly follows ideal solution theory, but with a negative deviation (negative excess surface energy). This indicates that alloying increases the stability, even for nano-particles.« less

  1. Thermodynamic properties of model CdTe/CdSe mixtures

    SciTech Connect

    van Swol, Frank; Zhou, Xiaowang W.; Challa, Sivakumar R.; Martin, James E.

    2015-02-20

    We report on the thermodynamic properties of binary compound mixtures of model groups II–VI semiconductors. We use the recently introduced Stillinger–Weber Hamiltonian to model binary mixtures of CdTe and CdSe. We use molecular dynamics simulations to calculate the volume and enthalpy of mixing as a function of mole fraction. The lattice parameter of the mixture closely follows Vegard's law: a linear relation. This implies that the excess volume is a cubic function of mole fraction. A connection is made with hard sphere models of mixed fcc and zincblende structures. We found that the potential energy exhibits a positive deviation from ideal soluton behaviour; the excess enthalpy is nearly independent of temperatures studied (300 and 533 K) and is well described by a simple cubic function of the mole fraction. Using a regular solution approach (combining non-ideal behaviour for the enthalpy with ideal solution behaviour for the entropy of mixing), we arrive at the Gibbs free energy of the mixture. The Gibbs free energy results indicate that the CdTe and CdSe mixtures exhibit phase separation. The upper consolute temperature is found to be 335 K. Finally, we provide the surface energy as a function of composition. Moreover, it roughly follows ideal solution theory, but with a negative deviation (negative excess surface energy). This indicates that alloying increases the stability, even for nano-particles.

  2. Role of Cu additive on the dielectric relaxation of Se75Te25 and Se85Te15 glassy alloys

    NASA Astrophysics Data System (ADS)

    Sharma, J.; Kumar, S.

    2010-07-01

    The effect of Cu additive on the dielectric relaxation of two binary Se-Te glassy systems, comparing the properties of a-Se75Te25, a-Se85Te15 and a-Se75Te15Cu10 alloys has been reported. The temperature and frequency dependence of dielectric parameters in Glassy Se75Te25, Se85Te15 and Se75Te15Cu10 alloys are studied by measuring capacitance and dissipation factor in the frequency range (1 kHz-5 MHz) and temperature range (300-350 K). A Debye like relaxation of dielectric behavior has been observed. A comprehensive study on the relaxation mechanism revealed that the presence of grains and grain boundaries across the pallet thickness is the basic relaxation process. A detailed analysis shows that the observed dielectric loss is in agreement with the Guintini's theory of dielectric dispersion based on two electron hopping over a potential barrier and is applicable in the present case. Dielectric constant (ɛ’), dielectric loss (ɛ”), loss tangent (δ) and capacitive reactance (Xc) are found highly frequency and temperature dependent. Dependence of these dielectric parameters over the metallic impurity Cu, has also been found in the present glassy system and has been discussed in terms of electronegativity difference between the elements used in making the aforesaid glassy system.

  3. Thermoelectric properties of PbTe/PbSe mesomaterials

    NASA Astrophysics Data System (ADS)

    Chen, Feng; Wang, Yaqi; Xue, Yuyi; Chu, C. W.; Zhang, Jun; Fang, Jiye; Tan, Chunhu; Lin, Zhigang; Liu, Bob

    2008-03-01

    Ball milled PbTe mixed with PbSe nano-wires (PTSW) or with PbSe nano-crystals (PTSC) are sintered under high pressure. Different sintering conditions are tested to preserve the mesostructures. Thermoelectric properties (resistivity, Seebeck coefficient and thermal conductivity) are measured at various temperatures. Pure ball milled PbTe are also sintered and measured for comparison. In this talk, we will present these data and compare with various PbTe data from the literature. Our results show that this mesostructure approach is promising and the sintering condition is the key factor for further improvement.

  4. Investigation of correlation effects in FeSe and FeTe by LDA + U method

    NASA Astrophysics Data System (ADS)

    Lohani, H.; Mishra, P.; Sekhar, B. R.

    2015-05-01

    We present a comparative study of the influence of Coulomb interaction and Hund's coupling on the electronic structure of FeSe and FeTe. Our calculations are based on density functional theory (DFT) with local density approximation (LDA + U) framework employed in TB-LMTO ASA code. We found the correlation effects are orbital selective due to the strength of interorbital hybridization among the different Fe-3d orbitals mediated via the chalcogen (Se/Te-p) orbitals and are different in both the compounds. The Coulomb interaction is screened significantly by Te-p bands in FeTe. Similarly the orbital selection is different in both the compounds because of the difference in the chalcogen height.

  5. Optical Characterization of Bulk ZnSeTe Solid Solutions

    NASA Technical Reports Server (NTRS)

    Su, Ching-Hua; Feth, S.; Zhu, Shen; Lehoczky, S. L.; Wang, Ling Jun

    2000-01-01

    Optical characterization was performed on wafers sliced from crystals of ZnSe, ZnTe and ZnSe (sub 1-x) Te (sub x) (0 less than x less than 0.4) grown by physical vapor transport technique. The energy band gaps at room temperature were determined from optical transmission measurements on 11 wafers. The best fit to the band gap vs. composition, x, data gives a bowing parameter of 1.336 which is between the value of 1.23 determined previously on ZnSeTe bulk crystals by reflectivity and the value of 1.621 reported on epilayers by photoconductivity. Low-temperature photoluminescence (PL) spectra were measured on 6 samples. The spectra of ZnSe and ZnTe were dominated by near band edge emissions and no deep donor-acceptor pairs were observed. The PL spectrum exhibited a broad emission for each of the ZnSe (sub 1-x) Te (sub x) samples, 0.09 less than x less than 0.39. For x = 0.09, this emission energy is about 0.2eV lower than the band gap energy measured at low temperature. As x increases the energy discrepancy gradually decreases and reduces to almost zero at x = 0.4. The single broad PL emission spectra and the spectra measured as a function of temperature were interpreted to be associated with the exciton bound to Te clusters because of the high Te content in these samples.

  6. Optical properties of ZnSe(Te) with ytterbium impurity.

    PubMed

    Makhniy, Viktor P; Horley, Paul P; Vorobiev, Yuri V; Kinzerska, Oksana V

    2016-04-20

    We report the results on infrared transmission measurements of non-doped and tellurium-doped crystals of zinc selenide grown from the melt. It was found that non-doped samples feature high transmission (50%-60%) for the wavelengths of 1-22 μm. The efficient scintillating crystals of ZnSe(Te) are almost opaque for λ>7  μm. Doping these samples with ytterbium from the gas phase does not achieve any significant transmission increase for non-doped ZnSe samples in the spectral range of 1-22 μm. However, it considerably increases (up to 50%) transmission for doped ZnSe(Te) at the wavelengths λ>10  μm. These optical peculiarities were analyzed taking into account restructurization of point defect ensembles created by Te and Yb impurities. PMID:27140112

  7. Reverse Monte Carlo simulation of Se{sub 80}Te{sub 20} and Se{sub 80}Te{sub 15}Sb{sub 5} glasses

    SciTech Connect

    Abdel-Baset, A. M.; Rashad, M.; Moharram, A. H.

    2013-12-16

    Two-dimensional Monte Carlo of the total pair distribution functions g(r) is determined for Se{sub 80}Te{sub 20} and Se{sub 80}Te{sub 15}Sb{sub 5} alloys, and then it used to assemble the three-dimensional atomic configurations using the reverse Monte Carlo simulation. The partial pair distribution functions g{sub ij}(r) indicate that the basic structure unit in the Se{sub 80}Te{sub 15}Sb{sub 5} glass is di-antimony tri-selenide units connected together through Se-Se and Se-Te chain. The structure of Se{sub 80}Te{sub 20} alloys is a chain of Se-Te and Se-Se in addition to some rings of Se atoms.

  8. ZnSe(Te)-based crystals and detectors for nondestructive testing and cargo inspection

    NASA Astrophysics Data System (ADS)

    Seminozhenko, V. P.; Ryzhikov, V. D.; Opolonin, A. D.; Lisetska, O. K.; Galkin, S. N.; Voronkin, E. F.; Kostyukevich, S. A.

    2006-08-01

    Due to disadvantages of scintillator ZnSe(Te) - poor transparence to own emission (10 -1 cm -1), long decay time, low density and Z eff-this material had no practical applications in the ranges of X-ray energies about 120-140 keV. After the development of dual energy X-ray inspection scanners, CT and digital radiography situation changed on the contrary at whole. Both theory and experiments show that now it is the best material for low energy array detectors. The pilot-industrial production of ZnSe(Te) crystals is organized, their usage in CT and inspection X-rays scanners being already started. It has become possible to get tomography imaging simultaneously with automatic recognition of dangerous objects and substances, which is due to the unique parameters of ZnSe(Te). Presently several leading western companies look for possibilities to use ZnSe(Te) for medical X-ray CT. Our aim was to unveil the nature of luminescence centers and the emission mechanism in crystals of ZnSe(Te) compounds with isovalent dopants from the results of our studies of optical, spectroscopic and kinetic characteriestics of these crystals. Basing on the obtained understanding of the emission centers, we aimed at creation of a reproducible production technology of scintillators for application in inspection and medical equipment. The research described in this publication was made possible in part by INTAS Project Ref. Nr. 05-104-7519.

  9. Optical Properties of PbTe and PbSe

    SciTech Connect

    Ekuma, Chinedu E; Singh, David J; Moreno, Juana; Jarrell, Mark

    2012-01-01

    We report optical properties of PbTe and PbSe as obtained from first-principles calculations with the Tran-Blaha modified Becke-Johnson potential. The results are discussed in relation to existing experimental data, particularly in relation to the temperature dependence of the band gap.

  10. Chemical reactions on the Bi 2Te 3-Bi 2Se 3 section in the process of crystal growth

    NASA Astrophysics Data System (ADS)

    Sokolov, O. B.; Skipidarov, S. Ya.; Duvankov, N. I.; Shabunina, G. G.

    2004-02-01

    By methods of differential-thermal analysis and X-ray-phase analysis it is proved that the Bi 2Te 3-Bi 2Se 3 section is a system with a continuous series of solid solutions, with the formation of Bi 2Te 2Se compound below the solidus line. The formation of this compound has been confirmed both in experiment and by thermodynamic analysis (TDA). It has been found that after zone melting the temperature values of the liquidus and solidus lines correlate with those obtained for equilibrium systems and mentioned in the literature. The boundary has been identified for the existence of Bi 2Te 3- xSe x solid solutions, which lies at ˜14 mol% Bi 2Se 3 (Bi 2Te 2.58Se 0.42). TDA shows chemical interactions (reactions) resulting in the formation of Bi 2Te 2Se. It has been found that in the two-phase zone, the Seebeck coefficient values dramatically change in a jumping manner, with the points of extremum located on the boundaries of the two-phase zone. In the zone of Bi 2Te 2Se compound occurrence (33.3 mol% Bi 2Se 3), the values of the Seebeck coefficient and power factor are minimal.

  11. Optical properties of liquid Se-Te alloys

    NASA Astrophysics Data System (ADS)

    Silva, Larry A.; Cutler, Melvin

    1990-10-01

    Thin films have been used to determine the optical properties of the liquid-alloy system SexTe100-x in the photon energy range of 0.4 to 5.0 eV, and at temperatures from the melting point to 500 °C. These liquids are semiconductors at Se-rich compositions, and undergo a transition to metallic behavior at high Te concentrations. The effects of this transition first appear in the optical data at 80 at. % Te. Possible forms for the electronic band structure in the semiconducting phase of the liquid are derived from the nondirect transition model for optical absorption. The optical properties of liquid Te (metallic phase) are separated into intraband and interband components, modeling the intraband component by Drude behavior, to test previously proposed mechanisms for the semiconductor-metal transition. Our results are consistent with the preservation of two-fold covalent bonding across this transition, and predict a ~0.4 eV gap between a Fermi level within the valence-band and the conduction-band edge. We have also measured the sub-band-gap absorption coefficient in semiconducting liquids containing 0, 20, and 40 at. % Te, and find that the extent of the exponential absorption edge decreases with increasing Te concentration.

  12. Electron microscopy of iron chalcogenide FeTe(Se) films

    NASA Astrophysics Data System (ADS)

    Shchichko, I. O.; Presnyakov, M. Yu.; Stepantsov, E. A.; Kazakov, S. M.; Antipov, E. V.; Makarova, I. P.; Vasil'ev, A. L.

    2015-05-01

    The structure of Fe1 + δTe1 - x Se x films ( x = 0; 0.05) grown on single-crystal MgO and LaAlO3 substrates has been investigated by transmission and scanning transmission electron microscopy. The study of Fe1.11Te/MgO structures has revealed two crystallographic orientation relationships between the film and substrate. It is shown that the lattice mismatch between the film and substrate is compensated for by the formation of misfit dislocations. The Burgers vector projection is determined. The stresses in the film can partially be compensated for due to the formation of an intermediate disordered layer. It is shown that a FeTe0.5Se0.5 film grown on a LaAlO3 substrate is single-crystal and that the FeTe0.5Se0.5/LaAlO3 interface in a selected region is coherent. The orientation relationships between the film and substrate are also determined for this case.

  13. Electron microscopy of iron chalcogenide FeTe(Se) films

    SciTech Connect

    Shchichko, I. O.; Presnyakov, M. Yu.; Stepantsov, E. A.; Kazakov, S. M.; Antipov, E. V.; Makarova, I. P.; Vasil’ev, A. L.

    2015-05-15

    The structure of Fe{sub 1+δ}Te{sub 1−x}Se{sub x} films (x = 0; 0.05) grown on single-crystal MgO and LaAlO{sub 3} substrates has been investigated by transmission and scanning transmission electron microscopy. The study of Fe{sub 1.11}Te/MgO structures has revealed two crystallographic orientation relationships between the film and substrate. It is shown that the lattice mismatch between the film and substrate is compensated for by the formation of misfit dislocations. The Burgers vector projection is determined. The stresses in the film can partially be compensated for due to the formation of an intermediate disordered layer. It is shown that a FeTe{sub 0.5}Se{sub 0.5} film grown on a LaAlO{sub 3} substrate is single-crystal and that the FeTe{sub 0.5}Se{sub 0.5}/LaAlO{sub 3} interface in a selected region is coherent. The orientation relationships between the film and substrate are also determined for this case.

  14. Synthesis and characterization of Bi-Te-Se thermoelectric materials

    SciTech Connect

    Tripathi, S. K.; Kumari, Ankita; Ridhi, R.; Kaur, Jagdish

    2015-08-28

    Bismuth Telluride (Bi{sub 2}Te{sub 3}) and its related alloys act as a promising thermoelectric material and preferred over other thermoelectric materials due to their high stability and efficiency under ambient conditions. In the present work, we have reported economical, environment friendly and low-temperature aqueous chemical method for the synthesis of Bi-Se-Te alloy. The prepared samples are characterized by X-Ray Diffraction to investigate the structural properties and UV-Visible spectroscopy for the spectroscopic analysis. The absorption spectrum reveals the sensitivity in the ultraviolet as well as in visible region.

  15. Ab initio study of the structural, electronic and elastic properties of AgSbTe2, AgSbSe2, Pr3AlC, Ce3AlC, Ce3AlN, La3AlC and La3AlN compounds

    NASA Astrophysics Data System (ADS)

    Berri, S.; Maouche, D.; Medkour, Y.

    2012-09-01

    In this paper, we study the structural, electronic and elastic properties of the ternary AgSbTe2, AgSbSe2, Pr3AlC, Ce3AlC, Ce3AlN, La3AlC and La3AlN compounds using the full-potential linearized augmented plane wave (FP-LAPW) scheme and the pseudopotential plane wave (PP-PW) scheme in the frame of generalized gradient approximation (GGA). Results are given for the lattice parameters, bulk modulus, and its pressure derivative. The calculated lattice parameters are in good agreement with experimental results. We have determined the full set of first-order elastic constants, shear modulus, Young's modulus and Poisson's ratio of these compounds. Also, we have presented the results of the band structure, densities of states, it is found that this compounds metallic behavior, and a negative gap Г→R for Pr3AlC. The analysis charge densities show that bonding is of covalent-ionic and ionic nature for AgSbSe2 and AgSbTe2 compounds.

  16. Resonance photoelectron spectroscopy of TiX{sub 2} (X = S, Se, Te) titanium dichalcogenides

    SciTech Connect

    Shkvarin, A. S. Yarmoshenko, Yu. M.; Skorikov, N. A.; Yablonskikh, M. V.; Merentsov, A. I.; Shkvarina, E. G.; Titov, A. N.

    2012-11-15

    The photoelectron valence band spectra of TiS{sub 2}, TiSe{sub 2}, and TiTe{sub 2} dichalcogenides are investigated in the Ti 2p-3d resonance regime. Resonance bands in the vicinity of the Fermi energy are found for TiS{sub 2} and TiTe{sub 2}. The nature of these bands is analyzed based on model calculations of the density of electronic states in TiS{sub 2}, TiSe{sub 2}, and TiTe{sub 2} compounds intercalated by titanium atoms. Analysis of experimental data and their comparison with model calculations showed that these bands have different origins. It is found that the resonance enhancement of an additional band observed in TiS{sub 2} is explained by self-intercalation by titanium during the synthesis of this compound. The resonance enhancement in TiTe{sub 2} is caused by occupation of the 3d band in Ti.

  17. Low temperature activation of S8, Se(red) and α-Te with [Cp(BIG)Fe(CO)2] radicals.

    PubMed

    Heinl, S; Scheer, M

    2014-11-21

    The bulky dimeric iron complex, [Cp(BIG)Fe(CO)2]2, readily activates elemental chalcogens (S8, Se(red) and α-Te) under mild conditions at room temperature. Six compounds containing Q2(2-) ligands (Q = S, Se) and a Te(2-) ligand, respectively, were isolated and completely characterized, including by X-ray diffraction techniques.

  18. Resonant Levels, Vacancies, and Doping in Bi2Te3, Bi2Te2Se, and Bi2Se3 Tetradymites

    NASA Astrophysics Data System (ADS)

    Wiendlocha, Bartlomiej

    2016-07-01

    The electronic structure of the tetradymites, Bi_2Te_3, Bi_2Te_2Se, and Bi_2Se_3, containing various dopants and vacancies, has been studied using first-principles calculations. We focus on the possibility of formation of resonant levels (RL), confirming the formation of RL by Sn in Bi_2Te_3 and predicting similar behavior of Sn in Bi_2Te_2Se and Bi_2Se_3. Vacancies, which are likely present on chalcogen atom sites in real samples of Bi_2Te_2Se and Bi_2Se_3, are also studied and their charged donor and resonant behavior discussed. Doping of vacancy-containing materials with regular acceptors, such as Ca or Mg, is shown to compensate the donor effect of vacancies, and n-p crossover, while increasing the dopant concentration, is observed. We verify that the RL on Sn is not disturbed by chalcogen vacancies in Bi_2Te_2Se or Bi_2Se_3, and for the Sn-doped materials with Se or Te vacancies, double doping, instead of heavy doping with Sn, is suggested as an effective way of obtaining the resonant level. This should help to avoid smearing of the RL, a possible reason for earlier unsuccessful experimental observation of the influence of the RL on the thermoelectric properties of Sn-doped Bi_2Te_2Se. Finally, we show that Al and Ga are possible new resonant impurities in tetradymites, hoping that this will stimulate further experimental studies.

  19. Thermoelectricity and superconductivity in pure and doped Bi2Te3 with Se

    NASA Astrophysics Data System (ADS)

    Rahnamaye Aliabad, H. A.; Kheirabadi, M.

    2014-01-01

    Thermoelectric and optoelectronic properties of pure and doped Bi2Te3 with Se have been investigated using full potential linearized augmented plane waves (FP-LAPWs). The generalized gradient approximation with spin orbit coupling (GGA+SOC) and the semi-classical Boltzmann transport theory are used. The calculated fundamental band gap of Bi2Te3 is 0.12 eV. The results of Pauli magnetic susceptibility show that the superconductivity transition temperature is about 5 K with different intensities for all compounds. The optical results show that metallic character is observed for energy range 1.60-6.35 eV. The obtained results are impotent for increasing the quality of thermoelectric and optoelectronic properties of materials based on Bi2Te3.

  20. Transport studies in topological insulator Bi2Te2Se

    NASA Astrophysics Data System (ADS)

    Cao, Helin; Miotkowski, Ireneusz; Tian, Jifa; Chen, Yong

    2013-03-01

    Recently, 3D topological insulators, featuring spin helical topological surface states (SS), have attracted strong attention in condensed matter physics. Although the SS have been directly revealed and intensively studied by surface sensitive measurements, such as ARPES and STM, transport measurements remain challenging due to coexistence of the surface and bulk conduction channels and the sensitivity of sample surfaces to ambient exposure. We have grown high quality Bi2Te2Se crystals by the Bridgeman method. Resistance showed an insulating behavior followed by saturation at low temperature, indicating surface conduction. Through magnetotransport measurements, we demonstrated high mobility SS on freshly cleaved crystals. The transport signatures of surface Dirac fermions were uncovered from 2D SdH oscillations and non-linear Hall effect. We have also compared transport properties of the samples before and after exposure to air. A giant cusp in magnetoresistance at zero B field was observed after exposure. Our studies may help understand the interplay between the surface and the bulk conduction channels and the degradation of SS due to environmental exposure. We will also present some experimental results of gate tuning and thermoelectric measurements on Bi2Te2Se. We acknowledge support from DARPA MESO program (Grant N66001-11-1-4107).

  1. Pseudo Jahn-Teller origin of instability of planar configurations of hexa-heterocycles. Application to compounds with 1,2- and 1,4-C4X2 skeletons (X = O, S, Se, Te)

    NASA Astrophysics Data System (ADS)

    Ilkhani, Ali R.; Hermoso, Willian; Bersuker, Isaac B.

    2015-10-01

    The driving force of symmetry breaking in planar molecular-ring systems in nondegenerate states is the pseudo Jahn-Teller effect (PJTE), and the knowledge of the mechanism of the latter allows one to manipulate the molecular properties, in particular, by restoring the planar configuration. We explore the PJTE induced structural nonplanarity in a series of 12 hexa-heterocycles with a C4X2 skeleton, 1,2- and 1,4-dichalcogenins with X = O, S, Se, Te, and a variety of ligands (H, F, Cl, Br). All the structures are optimized in both distorted equilibrium and unstable planar configurations, and the vibrational frequencies of the latter are evaluated. Then the energy profiles of the ground and several excited states in the planar configuration along the coordinate of instability are calculated, the excited states producing the instability of the ground state via the PJTE are revealed, and the vibronic coupling constants are estimated by means of fitting the solutions of the secular equations to the corresponding energy profiles.

  2. Valence changes in TmSe by alloying with TmTe and EuSe

    NASA Astrophysics Data System (ADS)

    Batlogg, B.

    1981-01-01

    The valence of the Tm ions in mixed-valent TmSe has been influenced by alloying with TmTe and EuSe in order to study the interaction between intermediate-valent rare-earth ions as a function of the degree of valence mixing. Magnetic, elastic, electrical, and optical properties have been measured on TmSe1-xTex crystals for seven distinct compositions. The degree of valence mixing is increased as Se is replaced by Te up to ~ 20% and the material remains metallic. Whereas TmSe orders metamagnetically (TN=3 K), the Te-containing samples are spontaneously magnetized below 3-5 K. This increasing strength of the ferromagnetic interactions, accompanying the increase of valence mixing, is consistent with the model of a double exchange coupling of mixed-valent Tm ions. TmSe1-xTex with x>=0.5 is semiconducting, the Tm ions are divalent and the overall electronic structure is similar to the ones of the Sm, Eu, and Yb monochalcogenides. The only peculiarities are the narrow energy gaps (0.2 to 0.35 eV) which require pressures of some 20 to 30 kbar to be closed. The magnetic properties are dominated by the crystal-field-split 2F72 ground state, leading to ordering temperatures well below 1 K. As Eu replaces Tm in TmSe, it is divalent because of its highly stable 4f7 shell, whereas the Tm2+ 4f13 and Tm3+ 4f12 5d configurations are nearly degenerate: in Tm0.5Eu0.5Se they are separated by an energy gap of only 0.1 eV, which can be driven to zero with moderate external pressure (15 kbar). In the metallic Tm0.83Eu0.17Se, the Tm ions are of predominantly inhomogeneously mixed-valent character since the Eu ions, being larger in volume are thought to give rise to local deformations of the lattice.

  3. High Critical Field Superconductivity in FeSe0.1 Te0.9 Coated Carbon Nanotubes

    NASA Astrophysics Data System (ADS)

    Wang, Haiyan; Cornell, Nicholas; Huang, Jijie; Salamon, Myron; Zakhidov, Anvar; Anvar Zakhidov; Haiyan Wang Team; Utd; Tamu Afosr Team

    2015-03-01

    Thin films of FeSe0.1Te0.9, grown on SrTi03, have been shown to possess an increased critical temperature, field, and current relative to both bulk samples of FeSe0.1Te0.9 and thin films of the related compound FeSe0.5Te0.5. Empirical measurement of FeSe0.1Te0.9 thin films reveal a zero temperature Hc2(0) ~ 45T. Carbon nanotubes are a promising lightweight flexible material for superconducting applications and have proven a robust substrate when conformally coated by superconducting MgB2. Thin film coatings of FeSe0.1Te0.9 have been deposited via pulsed laser deposition on dry- drawn multiwall carbon nanotube sheets drawn from CVD grown forests. While true zero resistance isn't achieved due to inter-connectivity issues or junction effects in multiwall CNT case, clear superconducting transitions with R reaching zero can be seen on other single wall CNT, and non-oriented carbon nanotube substrates. Properties of these superconducting FeSe0.1Te0.9@SWCNT thin films are discussed.

  4. Connecting thermoelectric performance and topological-insulator behavior: Bi2Te3 and Bi2Te2Se from first principles

    DOE PAGES

    Shi, Hongliang; Parker, David S.; Du, Mao-Hua; Singh, David J.

    2015-01-20

    Thermoelectric performance is of interest for numerous applications such as waste-heat recovery and solid-state energy conversion and will be seen to be closely connected to topological-insulator behavior. In this paper, we here report first-principles transport and defect calculations for Bi2Te2Se in relation to Bi2Te3. The two compounds are found to contain remarkably different electronic structures in spite of being isostructural and isoelectronic. We also discuss these results in terms of the topological-insulator characteristics of these compounds.

  5. Connecting Thermoelectric Performance and Topological-Insulator Behavior: Bi2Te3 and Bi2Te2Se from First Principles

    NASA Astrophysics Data System (ADS)

    Shi, Hongliang; Parker, David; Du, Mao-Hua; Singh, David J.

    2015-01-01

    Thermoelectric performance is of interest for numerous applications such as waste-heat recovery and solid-state energy conversion and will be seen to be closely connected to topological-insulator behavior. In this context, we here report first-principles transport and defect calculations for Bi2Te2Se in relation to Bi2Te3 . The two compounds are found to contain remarkably different electronic structures in spite of being isostructural and isoelectronic. We discuss these results in terms of the topological-insulator characteristics of these compounds.

  6. Pressure evolution of electrical transport in the 3D topological insulator (Bi,Sb)2(Se,Te)3

    NASA Astrophysics Data System (ADS)

    Jeffries, J. R.; Butch, N. P.; Vohra, Y. K.; Weir, S. T.

    2015-03-01

    The group V-VI compounds—like Bi2Se3, Sb2Te3, or Bi2Te3—have been widely studied in recent years for their bulk topological properties. The high-Z members of this series form with the same crystal structure, and are therefore amenable to isostructural substitution studies. It is possible to tune the Bi-Sb and Te-Se ratios such that the material exhibits insulating behavior, thus providing an excellent platform for understanding how a topological insulator evolves with applied pressure. We report our observations of the pressure-dependent electrical transport and crystal structure of a pseudobinary (Bi,Sb)2(Te,Se)3 compound. Similar to some of its sister compounds, the (Bi,Sb)2(Te,Se)3 pseudobinary compound undergoes multiple, pressure-induced phase transformations that result in metallization, the onset of a close-packed crystal structure, and the development of distinct superconducting phases.

  7. Raman characterization of a new Te-rich binary compound: CdTe2.

    PubMed

    Rousset, Jean; Rzepka, Edouard; Lincot, Daniel

    2009-04-01

    Structural characterization by Raman spectroscopy of CdTe thin films electrodeposited in acidic conditions is considered in this work. This study focuses on the evolution of material properties as a function of the applied potential and the film thickness, demonstrating the possibility to obtain a new Te-rich compound with a II/VI ratio of 1/2 under specific bath conditions. Raman measurements carried out on etched samples first allow the elimination of the assumption of a mixture of phases CdTe + Te and tend to confirm the formation of the CdTe(2) binary compound. The signature of this phase on the Raman spectrum is the increase of the LO band intensity compared to that obtained for the CdTe. The influence of the laser power is also considered. While no effect is observed on CdTe films, the increase of the incident irradiation power leads to the decomposition of the CdTe(2) compound into two more stable phases namely CdTe and Te.

  8. Synthesis of CdSe/ZnS and CdTe/ZnS Quantum Dots: Refined Digestive Ripening

    DOE PAGES

    Cingarapu, Sreeram; Yang, Zhiqiang; Sorensen, Christopher M.; Klabunde, Kenneth J.

    2012-01-01

    We report synthesis of CdSe and CdTe quantum dots (QDs) from the bulk CdSe and CdTe material by evaporation/co-condensation using the solvated metal atom dispersion (SMAD) technique and refined digestive ripening. The outcomes of this new process are (1) the reduction of digestive ripening time by employing ligands (trioctylphosphine oxide (TOPO) and oleylamine (OA)) as capping agent as well as digestive ripening solvent, (2) ability to tune the photoluminescence (PL) from 410 nm to 670 nm, (3) demonstrate the ability of SMAD synthesis technique for other semiconductors (CdTe), (4) direct comparison of CdSe QDs growth with CdTe QDs growth based on digestivemore » ripening times, and (5) enhanced PL quantum yield (QY) of CdSe QDs and CdTe QDs upon covering with a ZnS shell. Further, the merit of this synthesis is the use of bulk CdSe and CdTe as the starting materials, which avoids usage of toxic organometallic compounds, eliminates the hot injection procedure, and size selective precipitation processes. It also allows the possibility of scale up. These QDs were characterized by UV-vis, photoluminescence (PL), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), and powder XRD.« less

  9. Calorimetric study of tellurium rich Se-Te-Sn glasses

    NASA Astrophysics Data System (ADS)

    Heera, Pawan; Kumar, Anup; Jharwal, Manish; Sharma, Raman

    2016-05-01

    We report the calorimetric study of amorphous Se30Te70-x Snx alloys for x= 0, 1.5, 2.5, 4.5 in terms of kinetic parameters. The DSC curves recorded at four different heating rates are analyzed to determine the transition temperatures, activation energy, thermal stability, glass forming ability. The crystallization process has been investigated using Kissinger, Matusita, Augis and Bennett, and Gao and Wang models. Various kinetic parameters have been calculated for a better understanding of the growth mechanism. The glass transition temperatures Tg, onset crystallization Tc, peak crystallization Tp, and melting temperature Tm are found to increase with the increase in Sn content. The system under investigation is found to be thermally stable for at lower at% of Sn. The values of parameters HR, Hw, and S indicate that Glass forming ability (GFA) decays with an increase in Sn content.

  10. Weak antilocalization in Bi2(Se(x)Te(1-x))3 nanoribbons and nanoplates.

    PubMed

    Cha, Judy J; Kong, Desheng; Hong, Seung-Sae; Analytis, James G; Lai, Keji; Cui, Yi

    2012-02-01

    Studying the surface states of Bi(2)Se(3) and Bi(2)Te(3) topological insulators has proven challenging due to the high bulk carrier density that masks the surface states. Ternary compound Bi(2)(Se(x)Te(1-x))(3) may present a solution to the current materials challenge by lowering the bulk carrier mobility significantly. Here, we synthesized Bi(2)(Se(x)Te(1-x))(3) nanoribbons and nanoplates via vapor-liquid-solid and vapor-solid growth methods where the atomic ratio x was controlled by the molecular ratio of Bi(2)Se(3) to Bi(2)Te(3) in the source mixture and ranged between 0 and 1. For the whole range of x, the ternary nanostructures are single crystalline without phase segregation, and their carrier densities decrease with x. However, the lowest electron density is still high (~10(19) cm(-3)) and the mobility low, suggesting that the majority of these carriers may come from impurity states. Despite the high carrier density, weak antilocalization (WAL) is clearly observed. Angle-dependent magnetoconductance study shows that an appropriate magnetic field range is critical to capture a true, two-dimensional (2D) WAL effect, and a fit to the 2D localization theory gives α of -0.97, suggesting its origin may be the topological surface states. The power law dependence of the dephasing length on temperature is ~T(-0.49) within the appropriate field range (~0.3 T), again reflecting the 2D nature of the WAL. Careful analysis on WAL shows how the surface states and the bulk/impurity states may interact with each other.

  11. Synthesis, Structural and Optical Characterization of CdTeSe/ZnSe and CdTeSe/ZnTe Core/Shell Ternary Quantum Dots for Potential Application in Solar Cells

    NASA Astrophysics Data System (ADS)

    Hung, Le Xuan; Thang, Pham Nam; Van Nong, Hoang; Yen, Nguyen Hai; Chinh, Vu Đuc; Van Vu, Le; Hien, Nguyen Thi Thuc; de Marcillac, Willy Daney; Hong, Phan Ngoc; Loan, Nguyen Thu; Schwob, Catherine; Maître, Agnès; Liem, Nguyen Quang; Bénalloul, Paul; Coolen, Laurent; Nga, Pham Thu

    2016-08-01

    This work presents the results on the fabrication, structural and optical properties of CdTeSe/ZnTe and CdTeSe/ZnSe n monolayers (ML) (with n = 0,1,2,4 and 6 being the nominal shell monolayer thickness) ternary alloyed core/shell quantum dots (QDs). Transmission electron microscopy has been used to observe the shape and size of the QDs. These QDs crystallize at the zinc-blende phase. Raman scattering has been used to characterize the CdTeSe QDs' alloy composition in the fabrication and coating processes. The Raman spectrum of CdTeSe QDs, in the frequency range from 100 cm-1 to 300 cm-1, is a composite band with two peaks at 160 cm-1 and 192 cm-1. When the thickness of the ZnTe shell is 4 ML, the peak of the Raman spectrum only appears at 160 cm-1. For the ZnSe 4 ML shell, the peak only appears at ˜200 cm-1. This shows that the nature of the CdTeSe QDs is either CdTe-rich or CdSe-rich depending on the shell of each sample. The shell thickness of 2 ML does not change the ternary core QDs' crystalline phase. The absorption and photoluminescence spectra show that the absorption and emission bands can be shifted to 900 nm, depending on each ternary alloyed QD core/shell sample. This near-infrared spectrum region is suitable for applications in solar cells.

  12. Thermoelectric properties of Tl-doped PbTeSe crystals grown by directional solidification

    NASA Astrophysics Data System (ADS)

    Su, Ching-Hua

    2016-04-01

    Three Tl-doped PbTe and two Tl-doped PbTeSe crystals were grown by vertical un-seeded directional solidification method. Among them, two Tl-doped PbTe ingots, with starting composition of (Pb0.99Tl0.01)Te, were grown under Pb or Te pressure over the melt provided by a Pb or Te reservoir, respectively, whereas another ingot, with starting composition of (Pb0.98Tl0.02)Te, was grown under Te overpressure. Two Tl-doped PbTeSe crystals, with starting composition of (Pb0.98Tl0.02)(Te0.85Se0.15) and (Pb0.96Tl0.04)(Te0.85Se0.15), were grown without any over-pressure. Disk-shaped samples were sliced at different locations along the growth axis and their thermal conductivities were determined from thermal diffusivity, density, and heat capacity measurements. The electrical conductivity and Seebeck coefficient were simultaneously measured as a function of temperature for each disk sample. The Figure of Merit for the thermoelectric application, zT, was calculated from these properties from room temperature to about 640 °C. The Tl-doped PbTeSe samples have the highest zT value of 1.63 at temperature range of 425 to 475 °C, comparing to 1.13 at 410 °C for the Tl-doped PbTe samples. By substituting 15% of the Te atoms in the Tl-doped PbTe by Se atoms, the Figure of Merit of PbTeSe was enhanced by reducing the thermal conductivity about 26% and, at the same time, increasing the electrical conductivity by 43%.

  13. Metalorganic vapor phase epitaxy growth of ternary tetradymite Bi2Te3-xSex compounds

    NASA Astrophysics Data System (ADS)

    Kuznetsov, P. I.; Yakushcheva, G. G.; Luzanov, V. A.; Temiryazev, A. G.; Shchamkhalova, B. S.; Jitov, V. A.; Sizov, V. E.

    2015-01-01

    We report on a metal organic vapor epitaxy (MOVPE) of Bi2Te3-xSex films over the entire range of compositions (0 ≤ x ≤ 3) for the first time. The films were grown on Al2O3(0001) substrates at 465 °C using trimethylbismuth (Bi2Me3), diethyltellurium (Et2Te) and diisopropylselenium (iPro2Se) as metalorganic sources. To realize the 2D growth mode and to grow films with flat surfaces and high crystalline quality, a thin ZnTe buffer layer was used. As-grown films were studied using optical and AFM microscopy techniques and X-ray diffraction. It was found that under steady growth conditions the composition of Bi2Te3-xSex films strongly depends on the film thickness. But a high rate of interdiffusion of chalcogens at the growth temperature rapidly leads to a homogeneous composition of the film in the growth direction. Dependence of the intensity of X-ray reflection (0012) on the composition of Bi2Te3-xSex films x has extremes near x=1 (Bi2Te2 Se) and x=2 (Bi2Se2 Te). The AFM micrographs and profiles show large (above 2 μm) triangle-shaped atomically flat terraces with step height of a quintuple layer (0.90 nm) of the tetradymite-type compounds. The electronic properties of the grown films have been characterized via four probe magnetotransport measurements.

  14. Pressure evolution of electrical transport in the 3D topological insulator (Bi,Sb)2(Te,Se)3

    NASA Astrophysics Data System (ADS)

    Jeffries, Jason; Butch, N. P.; Vohra, Y. K.; Weir, S. T.

    2014-03-01

    The group V-VI compounds--like Bi2Se3, Sb2Te3, or Bi2Te3--have been widely studied in recent years for their bulk topological properties. The high-Z members of this series form with the same crystal structure, and are therefore amenable to isostructural substitution studies. It is possible to tune the Bi-Sb and Te-Se ratios such that the material exhibits insulating behavior, thus providing an excellent platform for understanding how a topological insulator evolves with applied pressure. We report our observations of the pressure-dependent electrical transport and compare that behavior with other binary V-VI compounds under pressure. Lawrence Livermore National Laboratory is operated by Lawrence Livermore National Security, LLC, for the U.S. Department of Energy, National Nuclear Security Administration under Contract DE-AC52-07NA27344.

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

    NASA Astrophysics Data System (ADS)

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

    2014-02-01

    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 calculations, which accounts for the Bi and Sb bilayer formation. Excellent interlayer distances are obtained with a van der Waals density functional. It is shown that a CE solely based on pair interactions is sufficient to provide an accurate description of the ground-state energies of Bi-Sb-Te-Se binary and ternary systems without making the data set of ab initio calculated structures unreasonably large. For the binary alloys A1-xQx (A =Sb, Bi; Q =Te, Se), a ternary CE yields an almost continuous series of (meta)stable structures consisting of consecutive A bilayers next to consecutive A2Q3 for 00.6, the binary alloy segregates into pure Q and A2Q3. The Bi-Sb system is described by a quaternary CE and is found to be an ideal solid solution stabilized by entropic effects at T ≠0 K but with an ordered structure of alternating Bi and Sb layers for x =0.5 at T =0 K. A quintuple CE is used for the ternary Bi-Sb-Te system, where stable ternary layered compounds with an arbitrary stacking of Sb2Te3,Bi2Te3, and Te-Bi-Te-Sb-Te quintuple units are found, optionally separated by mixed Bi/Sb bilayers. Electronic properties of the stable compounds were studied taking spin-orbit coupling into account.

  16. Preliminary studies in the electrodeposition of PbSe/PbTe superlattice thin films via electrochemical atomic layer deposition (ALD).

    PubMed

    Vaidyanathan, Raman; Cox, Steven M; Happek, Uwe; Banga, Dhego; Mathe, Mkhulu K; Stickney, John L

    2006-12-01

    This paper concerns the electrochemical growth of compound semiconductor thin film superlattice structures using electrochemical atomic layer deposition (ALD). Electrochemical ALD is the electrochemical analogue of atomic layer epitaxy (ALE) and ALD, methods based on nanofilm formation an atomic layer at a time, using surface-limited reactions. Underpotential deposition (UPD) is a type of electrochemical surfaced-limited reaction used in the present studies for the formation of PbSe/PbTe superlattices via electrochemical ALD. PbSe/PbTe thin-film superlattices with modulation wavelengths (periods) of 4.2 and 7.0 nm are reported here. These films were characterized using electron probe microanalysis, X- ray diffraction, atomic force microscopy (AFM), and infrared reflection absorption measurements. The 4.2 nm period superlattice was grown after deposition of 10 PbSe cycles, as a prelayer, resulting in an overall composition of PbSe0.52Te0.48. The 7.0 nm period superlattice was grown after deposition of 100 PbTe cycle prelayer, resulting for an overall composition of PbSe0.44Te0.56. The primary Bragg diffraction peak position, 2theta, for the 4.2 superlattice was consistent with the average (111) angles for PbSe and PbTe. First-order satellite peaks, as well as a second, were observed, indicating a high-quality superlattice film. For the 7.0 nm superlattice, Bragg peaks for both the (200) and (111) planes of the PbSe/PbTe superlattice were observed, with satellite peaks shifted 1 degrees closer to the (111), consistent with the larger period of the superlattice. AFM suggested conformal superlattice growth on the Au on glass substrate. Band gaps for the 4.2 and 7.0 nm period superlattices were measured as 0.48 and 0.38 eV, respectively.

  17. Compositional Dependence of the Optical Properties of Vacuum Evaporated Thin GeSe2-GeTe-PbTe Films

    NASA Astrophysics Data System (ADS)

    Petkov, Kiril; Tasseva, Jordanka; Vassilev, Venceslav; Aljihmani, Lilia

    Chalcogenide glasses from the GeSe2-GeTe-PbTe system were synthesized by taking preliminary prepared GeSe2, GeTe and PbTe in their molecular percentages and melting them in an evacuated quartz ampoule. Thin films were deposited on optical glass substrates BK-7 and Si-wafer substrates by thermal evaporation. Using X-ray microanalysis it was found that the film composition differs to a certain degree from the bulk composition. The changes in the optical properties of thin GeSe2-GeTe-PbTe films were studied as a function of their composition, exposure to light and annealing. It is shown by XRD analysis that the thin films are amorphous up to layers with composition of Ge27Se51Te14Pb8. The optical constants (refractive index, n and absorption coefficient, α), the thickness, d as well as the optical band gap, Eg, depending on the film composition were determined by spectrophotometric measurements in the region 450-2500 nm applying the Swanepoel's envelop method and Tauc's procedure. With the increase of the Te content in the layers, the absorption edge is shifted to the higher wavelengths, the refractive index increases from 2.54 for Ge31Se66Te3 up to 3.37 for Ge32Se55Te13 while the optical band gap decreases from 1.86 eV for to 1.30 eV for the same compositions. Similar dependence was observed with the increase of the PbTe content in the layers. After annealing of thin films, the values of n decrease, the optical band gap increases and a shift of the absorption edge to the shorter wavelengths is observed.

  18. Crystal Growth of ZnSe and Related Ternary Compound Semiconductors by Vapor Transport

    NASA Technical Reports Server (NTRS)

    Su, Ching-Hua; Brebrick, R. F.; Burger, A.; Dudley, M.; Ramachandran, N.

    2003-01-01

    The objective of the project is to determine the relative contributions of gravity-driven fluid flows to the compositional distribution, incorporation of impurities and defects, and deviation from stoichiometry observed in the crystals grown by vapor transport as results of buoyance-driven convection and growth interface fluctuations caused by irregular fluid-flows. ZnSe and related ternary compounds, such as ZnSeS and ZnSeTe, were grown by vapor transport technique with real time in-situ non-invasive monitoring techniques. The grown crystals were characterized extensively to correlate the grown crystal properties with the growth conditions.

  19. Effect of Se treatment on the volatile compounds in broccoli.

    PubMed

    Lv, Jiayu; Wu, Jie; Zuo, Jinhua; Fan, Linlin; Shi, Junyan; Gao, Lipu; Li, Miao; Wang, Qing

    2017-02-01

    Broccoli contains high levels of bioactive compounds but deteriorates and senesces easily. In the present study, freshly harvested broccoli was treated with selenite and stored at two different temperatures. The effect of selenite treatment on sensory quality and postharvest physiology were analyzed. Volatile components were assessed by HS-SPME combined with GC-MS and EN. The metabolism of Se and S was also examined. Results indicated that Se treatment had a significant effect on maintaining the sensory quality, suppressing the respiration intensity and ethylene production, as well as increasing the content of Se and decreasing the content of S. In particular, significant differences in the composition of volatile compounds were present between control and Se-treated. The differences were mainly due to differences in alcohols and sulfide compounds. These results demonstrate that Se treatment can have a positive effect on maintaining quality and enhancing its sensory quality through the release of volatile compounds. PMID:27596413

  20. Electronic structure of titanium dichalcogenides TiX{sub 2} (X = S, Se, Te)

    SciTech Connect

    Shkvarin, A. S. Yarmoshenko, Yu. M.; Skorikov, N. A.; Yablonskikh, M. V.; Merentsov, A. I.; Shkvarina, E. G.; Titov, A. N.

    2012-01-15

    The electronic structure and the chemical bond in titanium dichalcogenides TiX{sub 2} (X = S, Se, Te), which are promising electrode materials for lithium batteries, are studied experimentally and theoretically. It is found that the X-ray photoelectron spectra of the valence bands and the core levels of titanium and its X-ray L{sub 2,3} absorption spectra demonstrate a change in the ionic and covalent components of the chemical bond in these compounds. The densities of states in these compounds are calculated by the full-potential augmented-plane-wave method, and multiplet calculations of the X-ray L{sub 2,3} absorption spectra of titanium are performed. It is shown that, in the row TiS{sub 2}-TiSe{sub 2}-TiTe{sub 2}, the covalence increases, the ionicity of the chemical bond decreases, and the effect of the crystal field of a ligand is weakened.

  1. Synthesis and characterization of FeSe{sub 1−x}Te{sub x} (x=0, 0.5, 1) superconductors

    SciTech Connect

    Zargar, Rayees A. Hafiz, A. K.; Awana, V. P. S.

    2015-08-28

    In this study, FeTe{sub 1-x}Se{sub x} (x=0,0.5,1) samples were prepared by conventional solid state reaction method and investigated by powder XRD, SEM, Raman and resistivity measurement techniques to reveal the effect of tellurium (Te) substitution in FeSe matrix. Rietveld analysis was performed on room temperature recorded, X-ray diffraction (XRD) patterns of pure FeSe, FeTe and FeSe{sub 0.5}Te{sub 0.5} which shows that all the compounds are crystallized in a tetragonal structure. SEM images show the dense surface morphology. Raman spectra recorded in the range from 100 to 700 cm{sup −1} at ambient temperature has been interpreted by P4/nmm space group of the lattice. The variation in intensity and shift in peak positions of some phonon modes has been discussed on the basis of variation in crystalline field effect by substituting Te in FeSe lattice. The resistivity versus temperature curves reveals that FeSe becomes superconductor at 7 K and FeSe{sub 0.5}Te{sub 0.5} shows superconductivity below 14 K while FeTe is non-superconducting compound.

  2. Synthesis and Characterization of a Series of Quaternary Chalcogenides Ba LnMQ3 ( Ln=Rare Earth, M=Coinage Metal, Q=Se or Te)

    NASA Astrophysics Data System (ADS)

    Yang, Yuting; Ibers, James A.

    1999-10-01

    The compounds BaGdAuSe3, BaLaCuTe3, BaYCuTe3, BaYAgTe3, BaLaAgTe3, BaYbCuTe3, BaGdAgTe3, BaNdCuTe3, and BaPrCuTe3 were prepared by the reaction in a BaBr2/KBr flux at 850°C of a rare earth, a coinage-group metal, a chalcogen, and BaSe or BaTe. The unit cells of all of the compounds and the crystal structures of the first four compounds were determined by single-crystal X-ray diffraction methods. With the exception of BaLaCuTe3, which crystallizes with four formula units in the orthorhombic space group Pnma, all of these compounds crystallize with four formula units in the orthorhombic space group Cmcm. BaLaCuTe3, isostructural with β-BaLaCuSe3 and Eu2CuS3 (i.e., Eu2+Eu3+Cu+(S2-)3), and BaGdAuSe3, BaYCuTe3, and BaYAgTe3, isostructural with KZrCuS3, crystallize in a layered structure in which there are 2∞[LnMQ2-3] layers separated by Ba2+ ions. Ln atoms are coordinated by six Q atoms at the corners of a distorted octahedron, and M atoms are coordinated by four Q atoms at the corners of a tetrahedron. The layers are formed by the connection of edge-sharing octahedral chains and corner-sharing tetrahedral chains. Ba atoms are coordinated by seven Q atoms in BaLaCuTe3 and by eight Q atoms in BaGdAuSe3, BaYCuTe3, and BaYAgTe3. BaNdAgTe3 shows temperature-dependent paramagnetism. Its magnetic susceptibility follows the Curie-Weiss law. The effective magnetic moment of 3.4(3) μB is in agreement with the theoretical value of 3.6 μB for Nd3+.

  3. Crystal Growth of ZnSe and Related Ternary Compound Semiconductors by Vapor Transport

    NASA Technical Reports Server (NTRS)

    Su, Ching-Hua; Brebrick, R. F.; Burger, A.; Dudley, M.; Matyi, R.; Ramachandran, N.; Sha, Yi-Gao; Volz, M.; Shih, Hung-Dah

    1999-01-01

    Complete and systematic ground-based experimental and theoretical analyses on the Physical Vapor Transport (PVT) of ZnSe and related ternary compound semiconductors have been performed. The analyses included thermodynamics, mass flux, heat treatment of starting material, crystal growth, partial pressure measurements, optical interferometry, chemical analyses, photoluminescence, microscopy, x-ray diffraction and topography as well as theoretical, analytical and numerical analyses. The experimental results showed the influence of gravity orientation on the characteristics of: (1) the morphology of the as-grown crystals as well as the as-grown surface morphology of ZnSe and Cr doped ZnSe crystals; (2) the distribution of impurities and defects in ZnSe grown crystals; and (3) the axial segregation in ZnSeTe grown crystals.

  4. Beneficial effect of Se substitution on thermoelectric properties of Co{sub 4}Sb{sub 11.9-x}Te{sub x}Se{sub 0.1} skutterudites

    SciTech Connect

    Duan, Bo; Zhai, Pengcheng; Liu, Lisheng; Zhang, Qingjie; Ruan, Xuefeng

    2012-09-15

    Skutterudite-based compounds, Co{sub 4}Sb{sub 12-x-y}Te{sub x}Se{sub y} (x=0.4, 0.5, 0.6 and y=0.0, 0.1), are synthesized by the solid state reaction and the spark plasma sintering methods, and their structure and the thermoelectric properties have been investigated systematically. It is found that Se doping results in decrease of the lattice parameter and refinement of the particle size compared with those of Se-free samples. The Se-doped samples do not yield a certain increase in the power factor, but show a significant depression in the lattice thermal conductivity. The highest dimensionless figure of merit ZT=1.09 is achieved at 800 K for the Co{sub 4}Sb{sub 11.3}Te{sub 0.6}Se{sub 0.1} compound, which is improved by 15% compared with that of Te alone doped Co{sub 4}Sb{sub 11.4}Te{sub 0.6} compound at the corresponding temperature. - Graphical abstract: The Te and Se co-doped Co{sub 4}Sb{sub 11.9-x}Te{sub x}Se{sub 0.1} skutterudites show amazingly lower thermal conductivity ({kappa}) and lattice thermal conductivity ({kappa}{sub L}) compared with those of Co{sub 4}Sb{sub 12-x}Te{sub x} skutterudites. Highlights: Black-Right-Pointing-Pointer Te and Se co-doped Co{sub 4}Sb{sub 12-x-y}Te{sub x}Se{sub y} compounds have been synthesized by the solid state reaction method. Black-Right-Pointing-Pointer Doping of Se resulted in decrease of the lattice parameter and refinement of the particle size. Black-Right-Pointing-Pointer The co-doped skutterudites show amazingly lower lattice thermal conductivity. Black-Right-Pointing-Pointer Co-doping with Te and Se is an attractive approach to enhance the TE performance of skutterudites.

  5. GW quasiparticle energy study of ternary tetradymite Bi{sub 2}Te{sub 2}Se and Bi{sub 2}Te{sub 2}S thin films

    SciTech Connect

    Shuaibu, Alhassan; Rahman, Md. Mahmudur; Zainuddin, Hishamuddin; Talib, Zainal Abidin; Muhida, Rifki

    2015-04-24

    In this work, we have evaluated the quasiparticle energies of ternary tetradymite Bi{sub 2}Te{sub 2}Se and Bi{sub 2}Te{sub 2}S using first-principles calculation within the G{sub 0}W{sub 0} methods. We have also performed a broad convergence tests in order to investigate the quasiparticle corrections to the structural parameters and to the semi core d electrons in both of the compounds. For each case, we have calculated the many-body corrections within a one-shot GW method of the compounds. Our results have shown that for Bi{sub 2}Te{sub 2}Se the GW corrections increase the band gap to almost 10%, and for specific atomic positions, the band structure shows a close value to the experimental one. For Bi{sub 2}Te{sub 2}S, despite increase in the band gap due to the GW corrections, possibility of bulk resistivity that can be significant for photovoltaic applications was observed.

  6. Superconductivity in Strong Spin Orbital Coupling Compound Sb2Se3

    PubMed Central

    Kong, P. P.; Sun, F.; Xing, L. Y.; Zhu, J.; Zhang, S. J.; Li, W. M.; Liu, Q. Q.; Wang, X. C.; Feng, S. M.; Yu, X. H.; Zhu, J. L.; Yu, R. C.; Yang, W. G.; Shen, G. Y.; Zhao, Y. S.; Ahuja, R.; Mao, H. K.; Jin, C. Q.

    2014-01-01

    Recently, A2B3 type strong spin orbital coupling compounds such as Bi2Te3, Bi2Se3 and Sb2Te3 were theoretically predicated to be topological insulators and demonstrated through experimental efforts. The counterpart compound Sb2Se3 on the other hand was found to be topological trivial, but further theoretical studies indicated that the pressure might induce Sb2Se3 into a topological nontrivial state. Here, we report on the discovery of superconductivity in Sb2Se3 single crystal induced via pressure. Our experiments indicated that Sb2Se3 became superconductive at high pressures above 10 GPa proceeded by a pressure induced insulator to metal like transition at ~3 GPa which should be related to the topological quantum transition. The superconducting transition temperature (TC) increased to around 8.0 K with pressure up to 40 GPa while it keeps ambient structure. High pressure Raman revealed that new modes appeared around 10 GPa and 20 GPa, respectively, which correspond to occurrence of superconductivity and to the change of TC slop as the function of high pressure in conjunction with the evolutions of structural parameters at high pressures. PMID:25327696

  7. Superconductivity in strong spin orbital coupling compound Sb2Se3

    DOE PAGES

    Kong, P. P.; Sun, F.; Xing, L. Y.; Zhu, J.; Zhang, S. J.; Li, W. M.; Liu, Q. Q.; Wang, X. C.; Feng, S. M.; Yu, X. H.; et al

    2014-10-20

    Recently, A2B3 type strong spin orbital coupling compounds such as Bi2Te3, Bi2Se3 and Sb2Te3 were theoretically predicated to be topological insulators and demonstrated through experimental efforts. The counterpart compound Sb2Se3 on the other hand was found to be topological trivial, but theoretical studies indicated that the pressure might induce Sb2Se3 into a topological nontrivial state. We report on the discovery of superconductivity in Sb2Se3 single crystal induced via pressure. Our experiments indicated that Sb2Se3 became superconductive at high pressures above 10 GPa proceeded by a pressure induced insulator to metal like transition at ~3 GPa which should be related tomore » the topological quantum transition. The superconducting transition temperature (TC) increased to around 8.0 K with pressure up to 40 GPa while it keeps ambient structure. As a result, high pressure Raman revealed that new modes appeared around 10 GPa and 20 GPa, respectively, which correspond to occurrence of superconductivity and to the change of TC slop as the function of high pressure in conjunction with the evolutions of structural parameters at high pressures.« less

  8. Crystal growth of ZnSe and related ternary compound semiconductors by physical vapor transport

    NASA Technical Reports Server (NTRS)

    Su, Ching-Hua

    1993-01-01

    The materials to be investigated are ZnSe and related ternary semiconducting alloys (e.g., ZnS(x)Se(1-x), ZnTe(x)Se(1-x), and Zn(1-x)Cd(x)Se). These materials are useful for opto-electronic applications such as high efficient light emitting diodes and low power threshold and high temperature lasers in the blue-green region of the visible spectrum. The recent demonstration of its optical bistable properties also makes ZnSe a possible candidate material for digital optical computers. The investigation consists of an extensive ground-based study followed by flight experimentation, and involves both experimental and theoretical work. The objectives of the ground-based work are to establish the characteristics of the crystals grown on Earth as a basis for subsequent comparative evaluations of the crystals grown in a low gravity environment and to obtain the experimental data and perform the analyses required to define the optimum parameters for the flight experiments. During the six months of the Preliminary Definition Phase, the research efforts were concentrated on the binary compound ZnSe - the purification of starting materials of Se by zone refining, the synthesis of ZnSe starting materials, the heat treatments of the starting materials, the vapor transport rate measurements, the vapor partial pressure measurements of ZnSe, the crystal growth of ZnSe by physical vapor transport, and various characterization on the grown ZnSe crystals.

  9. Emission variation in infrared (CdSeTe)/ZnS quantum dots conjugated to antibodies

    NASA Astrophysics Data System (ADS)

    Jaramillo Gómez, J. A.; Casas Espinola, J. L.; Douda, J.

    2014-11-01

    The paper presents the photoluminescence (PL) and Raman scattering investigations of infrared CdSeTe/ZnS quantum dots (QDs) with emission at 800 nm (1.60 eV) in nonconjugated states and after the conjugation to the anti-papilloma virus antibodies (Ab). The Raman scattering study has shown that the CdSeTe core includes two layers with different material compositions such as: CdSe0.5Te0.5 and CdSe0.7Te0.3. PL spectra of nonconjugated CdSeTe/ZnS QDs are characterized by two Gaussian shape PL bands related to exciton emission in the CdSeTe core and in intermediate layer at the core/shell interface. PL spectra of bioconjugated QDs have changed essentially: the main PL band related to the core emission shifts into high energy and become asymmetric. The energy diagram of double core/shell CdSeTe/ZnS QDs has been analyzed to explain the PL spectrum of nonconjugated QDs and its transformation at the bioconjugation to the papiloma virus antibodies. It is shown that the PL spectrum transformation in bioconjugated QDs can be a powerful technique for biology and medicine.

  10. Effects of Se substitution on the thermoelectric performance of n-type Co{sub 4}Sb{sub 11.3}Te{sub 0.7−x}Se{sub x} skutterudites

    SciTech Connect

    Duan, Bo; Zhai, Pengcheng; Liu, Lisheng; Zhang, Qingjie

    2012-07-15

    Highlights: ► The simple solid state reaction technique was employed to prepare Co{sub 4}Sb{sub 11.3}Te{sub 0.7−x}Se{sub x} skutterudites. ► The thermal conductivity decreases gradually with the increasing Se content. ► Doping with moderate Se is an effective way to enhance the thermoelectric performance of Co{sub 4}Sb{sub 11.3}Te{sub 0.7−x}Se{sub x}. ► The highest ZT of 1.11 at 800 K is obtained for the Co{sub 4}Sb{sub 11.3}Te{sub 0.58}Se{sub 0.12} sample. -- Abstract: A series of double-substituted Co{sub 4}Sb{sub 11.3}Te{sub 0.7−x}Se{sub x} skutterudites have been fabricated by combining the solid state reaction and the spark plasma sintering method, and the effects of Se substitution on the thermoelectric properties are characterized by measurements of the electrical conductivity, the Seebeck coefficient and the thermal conductivity in the temperature range of 300–800 K. Doping Se into the Co{sub 4}Sb{sub 11.3}Te{sub 0.7−x}Se{sub x} matrix suppresses the carrier concentration, and the electrical conductivity actually decreases with the Se content. However, moderate Se doping is effective in enhancing the thermoelectric performance of the n-type Co{sub 4}Sb{sub 11.3}Te{sub 0.7−x}Se{sub x}, because of the resulted dramatically decreased thermal conductivity. Analyses indicate that the heightened point-defect scattering induced by Se doping together with the electron–phonon scattering induced by Te doping is responsible for the reduction of lattice thermal conductivity of these compounds.

  11. Thermoelectric properties of CuAlCh{sub 2} (Ch = S, Se and Te)

    SciTech Connect

    Gudelli, Vijay Kumar; Kanchana, V.; Vaitheeswaran, G.

    2015-06-24

    Electronic and thermoelectric properties of ternary chalcopyrite-type CuAlCh{sub 2} (S, Se and Te) were studied using the first principles density functional calculations implemented in the full potential linear augmented plane wave (FP-LAPW) method. The thermoelectric properties are calculated by solving the Boltzmann transport equation within the constant relaxation time approximation. The calculated band gap using the Tran-Blaha modified Becke-Johnson potential (TB-mBJ), of all the compounds are in good agreement with the available experiment and other theoretical reports. Thermoelectric properties like thermopower, electrical conductivity scaled by relaxation time are calculated as a function of carrier concentrations at different temperatures. The calculated thermoelectric properties are compared with the available experiment and other theoretical calculations of similar materials.

  12. Optical properties change in laser-induced Te/As2Se3 chalcogenide thin films

    NASA Astrophysics Data System (ADS)

    Behera, Mukta; Naik, Ramakanta

    2016-10-01

    In the present work, we report the change in optical parameters due to the deposition and photo-induced diffusion of Te layer into the chalcogenide As2Se3 film. The photo-diffusion creates a solid solution of As-Se-Te which has potential application in optical devices. The Te/As2Se3 bilayer films prepared by thermal evaporation technique were studied by various experimental techniques. The photo-diffusion of Te into As2Se3 matrix was done by 532-nm laser irradiation. The structure of the As2Se3, as-prepared and irradiated Te/As2Se3 films was studied by X-ray diffraction which were amorphous in nature. The presence of all the elements was checked by energy-dispersive X-ray analysis, and the optical transmission spectra were recorded by Fourier transform infrared spectrometer. The optical band gap is reduced by the deposition and diffusion of Te into As2Se3 film which is due to the increase in density of defect states in the gap region. The transmission is decreased, whereas the absorption efficiency is increased with the increase in disorderness. The X-ray photoelectron spectroscopy carried out on these films gives information about the bonding change due to the photo-diffusion process. Therefore, this is an important result which will open up new directions for the application of this material in semiconducting devices.

  13. Three-dimensional topological insulators Bi{sub 2}Te{sub 3}, Bi{sub 2}Se{sub 3}, and Bi{sub 2}Te{sub 2}Se - a microwave spectroscopy study

    SciTech Connect

    Wolos, A.; Strzelecka, S. G.; Hruban, A.; Materna, A.; Piersa, M.

    2013-12-04

    We present results of investigations of three-dimensional topological insulators from a family of bismuth compounds performed in electron spin resonance spectrometer. Next to the standard spin resonance spectra in Bi{sub 2}Se{sub 3} originating from bulk conduction electrons (g{sub Verbar;} = 27.5 ± 0.1 and g{sub ⊥} = 19.5 ± 0.1), we observed also cyclotron resonance due to topological surface states in Bi{sub 2}Te{sub 3} and non-resonant signal related to weak anti-localization in Bi{sub 2}Te{sub 2}Se. The analysis of the cyclotron resonance signal yields low Fermi velocity equal to 3250 m/s in Bi{sub 2}Te{sub 3}. The phase coherence length determined from weak anti-localization signal equals to 550 nm at low temperatures in Bi{sub 2}Te{sub 2}Se. Relation of the signals to bulk, topological surface or two-dimensional quantum well states is discussed and where possible indicated.

  14. Optical properties change in Te diffused As50Se50 chalcogenide thin film

    NASA Astrophysics Data System (ADS)

    Naik, Ramakanta; Behera, M.; Panda, R.; Mishra, N. C.

    2016-05-01

    In the present report, we present the effect of Te diffusion into As50Se50 thin film which changes the optical properties. The Te/As50Se50 film was irradiated by a laser beam of 532 nm to study the diffusion mechanism due to photo induced effect. The As50Se50, Te/As50Se50 films show a completely amorphous nature from X-ray diffraction study. A non direct transition was found for these films on the basis of optical transmission data carried out by Fourier Transform infrared Spectroscopy. The optical bandgap is found to be decreased with Te deposition and photo darkening phenomena is observed for the diffused film. The change in the optical constants are well supported by the corresponding change in different types of bonds which are being studied by X-ray photoelectron spectroscopy.

  15. Hybrid InAsSb/CdSeTe heterostructures lattice-matched to GaSb

    NASA Astrophysics Data System (ADS)

    Sedova, I. V.; Sorokin, S. V.; Semenov, A. N.; L'vova, T. V.; Lyublinskaya, O. G.; Solov'ev, V. A.; Usikova, A. A.; Ivanov, S. V.

    2007-04-01

    We have studied molecular beam epitaxial growth of CdSeTe alloys on InAs1-xSbx layers (x˜0.06-0.1) nearly lattice-matched to GaSb(001) substrate. The preferential Se incorporation in the CdSeTe layers has been found. Sulfide passivation technique has been applied to the uncapped InAsSb surface to form the flat coherent InAsSb/CdSeTe heterovalent interface mediated by a ZnTe interface layer. The strong etching mode has been observed during the initial stage of InAsSb surface treatment in a 1M Na2S-water solution.

  16. Photoelectrochemical Characterization of Polycrystalline CdSe, CdTe and CuInSe2 Semiconductor Films

    NASA Astrophysics Data System (ADS)

    Koutsikou, R.; Bouroushian, M.

    2010-01-01

    Useful optical parameters of thin semiconducting films can be determined by electrochemical and electrical techniques. This work is an attempt to characterize cathodically electrodeposited binary cadmium chalcogenide (CdSe, CdTe) and ternary Cu-chalcopyrite (CuInSe2) films by photoelectrochemical techniques. Namely, photovoltammetry, photocurrent spectroscopy and onset potential method. Some fundamentals, regarding the estimation of band gap energy and flat band potential values of these semiconductors, are briefly discussed.

  17. Electronic properties of mixed molybdenum dichalcogenide MoTeSe: LCAO calculations and Compton spectroscopy

    NASA Astrophysics Data System (ADS)

    Ahuja, Ushma; Kumar, Kishor; Joshi, Ritu; Bhavsar, D. N.; Heda, N. L.

    2016-07-01

    We have employed linear combination of atomic orbitals (LCAO) method to compute the Mulliken's population (MP), energy bands, density of states (DOS) and Compton profiles for hexagonal MoTeSe. The density functional theory (DFT) and hybridization of Hartree-Fock with DFT (B3LYP) have been used within the LCAO approximation. Performance of theoretical models has been tested by comparing the theoretical momentum densities with the experimental Compton profile of MoTeSe measured using 137Cs Compton spectrometer. It is seen that the B3LYP prescription gives a better agreement with the experimental data than other DFT based approximations. The energy bands and DOS depict an indirect band gap character in MoTeSe. In addition, a relative nature of bonding in MoTeSe and its isovalent MoTe2 is discussed in terms of equal-valence-electron-density (EVED) profiles. On the basis of EVED profiles it is seen that MoTeSe is more covalent than MoTe2.

  18. Nano-sized Minerals of Elemental Selenium and Tellurium Formed by Bacterial Dissimilatory Reduction of Se- and Te-Oxyanions.

    NASA Astrophysics Data System (ADS)

    Oremland, R. S.

    2007-12-01

    biological formation of CdSe or perhaps CdTe type-nanomaterials that bypasses the need for highly reactive compounds required for chemical syntheses. Oremland, R.S. et al. (2004). Appl. Environ. Microbiol. 70: 52 - 60. Baesman, S.M., et al. (2007). Appl. Environ. Microbiol. 73: 2135 - 2143.

  19. Pseudogap behaviour in FeTe and FeSe probed by photoemission

    SciTech Connect

    Mishra, P. Lohani, H.; Sekhar, B. R.; Zargar, R. A.; Awana, V. P. S.

    2015-06-24

    This study reports the valence band photoelectron spectroscopic studies of FeTe and FeSe. A doping induced and temperature dependent pseudogap occur near the Fermi level. The spectral weight transfer occurs due to the change in chalcogen height due to lowering of temperature. This result is in analogy with the reduction in chalcogen height due to the replacement of Te by Se.

  20. Effects of Iodine Annealing on Fe1+yTe0.6Se0.4

    NASA Astrophysics Data System (ADS)

    Chen, Jingting; Sun, Yue; Yamada, Tatsuhiro; Pyon, Sunseng; Tamegai, Tsuyoshi

    2016-10-01

    Effects of iodine annealing to induce bulk superconductivity in Fe1+yTe0.6Se0.4 have been systematically studied by changing the molar ratio of iodine to the sample and annealing temperature. The optimal condition to induce bulk superconductivity with Tc ˜ 14.5 K and self-field Jc (2 K) ˜ 5 × 105 A/cm2 is found to be a molar ratio of iodine of 5-7% at the annealing temperature of 400 °C. Furthermore, the fact that no compounds containing iodine are detected in the crystal and a significant amount of FeTe2 is produced after the iodine annealing strongly indicate that the excess iron is consumed to form FeTe2 and iodine works as a catalyst in this process.

  1. Crystal Growth of ZnSe and Related Ternary Compound Semiconductors by Vapor Transport

    NASA Technical Reports Server (NTRS)

    Su, Ching-Hua; Brebrick, R. F.; Dudley, M.; Ramachandran, N.; Curreri, Peter A. (Technical Monitor)

    2002-01-01

    The objective of the project is to determine the relative contributions of gravity-driven fluid flows to the compositional distribution, incorporation of impurities and defects, and deviation from stoichiometry observed in the crystals grown by vapor transport as results of buoyance-driven convection and growth interface fluctuations caused by irregular fluid-flows. ZnSe and related ternary compounds, such as ZnSeS and ZnSeTe, were grown by vapor transport technique with real time in-situ non-invasive monitoring techniques. The grown crystals were characterized extensively to correlate the grown crystal properties with the growth conditions. The following are the research progress in the past two years. In-situ monitoring of partial pressure by optical absorption technique and visual observation of the growing crystal were performed during vapor growth of ZnSe. Low-temperature photoluminescence (PL) spectra and glow discharge mass spectroscopy (GDMS) were measured on ZnSe starting materials provided by various vendors and on bulk crystals grown from these starting materials by physical vapor transport (PVT) to study the effects of purification and contamination during crystal growth process. Optical characterization was performed on wafers sliced from the grown crystals of ZnSe, ZnTe and ZnSe(1-x),Te(x), (0Se and ZnTe were dominated by near band edge emissions and no deep donor-acceptor pairs were observed. The PL spectrum exhibited a broad emission for the ZnSe(1-x),Te(x), samples, 0.09Te clusters because of the high Te content in these samples. To validate

  2. Crystal Growth of ZnSe and Related Ternary Compound Semiconductors by Vapor Transport

    NASA Technical Reports Server (NTRS)

    2003-01-01

    The objective of the project is to determine the relative contributions of gravity-driven fluid flows to the compositional distribution, incorporation of impurities and defects, and deviation from stoichiometry observed in the crystals grown by vapor transport as results of buoyancy-driven convection and growth interface fluctuations caused by irregular fluid-flows. ZnSe and related ternary compounds, such as ZnSeS and ZnSeTe, were grown by vapor transport technique with real time in situ non-invasive monitoring techniques. The grown crystals were characterized extensively to correlate the grown crystal properties with the growth conditions. Significant effects of gravity vector orientation on the growth crystal morphology and point defect distribution were observed.

  3. Nanocrystal growth and morphology of PbTeSe-ZnSe composite thin films prepared by one-step synthesis method

    NASA Astrophysics Data System (ADS)

    Sato, Kazuhisa; Abe, Seishi

    2016-10-01

    The microstructure of polycrystalline PbTe1-xSex-ZnSe composite thin films has been studied by scanning transmission electron microscopy and electron diffraction. The films were prepared by the one-step synthesis method using simultaneous evaporation of PbTe and ZnSe. The nanocrystals of PbTe1-xSex are formed in a ZnSe matrix. Tellurium concentration can be tuned by controlling the PbTe evaporation source temperatures between 753 K and 793 K. Binary PbSe nanocrystals were formed at 753 K, while ternary PbTe1-xSex nanocrystals were formed at 793 K. The nanocrystals grow in a granular shape at the initial stage of film growth, and the morphology changes to nanowire-shape as the film grows, irrespective of the Te concentration. The ternary PbTe1-xSex nanocrystals were composed of two phases with different Te concentration; Te-rich (Se-poor) granular crystals were formed near the bottom half parts of the film and Te-poor (Se-rich) nanowires were formed at the upper half parts of the film. Columnar ZnSe crystals contain high-density {111} stacking faults due to the low stacking fault energy of ZnSe. A balance of deposition and re-evaporation on the substrate during the film growth will be responsible for the resultant nanocrystal morphology.

  4. First-principles study of homologous series of layered Bi-Sb-Te-Se and Sn-O structures

    NASA Astrophysics Data System (ADS)

    Govaerts, Kirsten

    In the first part of the thesis, we present a systematic study of the stable layered structures at T = 0 K for the Bi-Sb-Te-Se system by means of a combination of the Cluster Expansion (CE) method and first-principles electronic structure calculations. In order to account for the existence of long-periodic layered structures and the strong structural relaxations we have developed a one-dimensional CE with occupation variables explicitly accounting for the fact that Bi or Sb atoms are part of an even or odd number of layers. For the binary systems A1-xQx (A = Sb, Bi; Q = Te, Se) the resulting (meta)stable structures are the homologous series (A2) n(A2Q3)m built up from successive bilayers A 2 and quintuple units A2Q3. The Bi1-xSb x system is found to be an almost ideal solution. The CE for the ternary Bi-Sb-Te system not only reproduces the binary stable structures but also finds stable ternary layered compounds with an arbitrary stacking of Sb 2Te3, Bi2Te3 and Te-Bi-Te-Sb-Te quintuple units, optionally separated by mixed Bi/Sb bilayers. We also investigate the electronic properties of the newly found ground state structures, and in particular the effect of Bi bilayers on the electronic structure of the topological insulator Bi2Se3. Due to the charge transfer from the Bi bilayers to the quintuple layers, the top- and bottom-surface Dirac cones shift down in energy. Also the Rashba-split conduction band states shift down, resulting in a new Dirac cone. The bands of the additional Bi bilayer are just ordinary Rashba-split states originating from the dipole built up by the charge transfer. These results offer new insight in experimental results, where cones are not always correctly identified. In a second part of the thesis, we investigate the Sn-O system. First we show that a combination of current van der Waals-corrected functionals and many-body calculations within the GW approximation provide accurate values for both structural and electronic properties of Sn

  5. Thermal behavior in Se-Te chalcogenide system: Interplay of thermodynamics and kinetics

    SciTech Connect

    Svoboda, Roman Málek, Jiří

    2014-12-14

    Heat capacity measurements were performed for Se, Se{sub 90}Te{sub 10}, Se{sub 80}Te{sub 20}, and Se{sub 70}Te{sub 30} materials in the 230–630 K temperature range. Both glassy and crystalline C{sub p} dependences were found to be identical within the experimental error. The compositional dependence of the N-type undercooled liquid C{sub p} evolution was explained on the basis of free-volume theory; vibrational and chemical contributions to heat capacity were found to be roughly similar for all Se-Te compositions. The thermal behavior in the Se-Te chalcogenide system was thoroughly studied: glass transition, cold crystallization, and melting were investigated in dependence on composition and various experimental conditions (heating rate, particle size, and pre-nucleation period). The kinetics of the structural relaxation and crystallization processes are described in terms of the Tool-Narayanaswamy-Moynihan and Johnson-Mehl-Avrami models. The complexity of these processes is thoroughly discussed with regard to the compositionally determined changes of molecular structures. The discussion is conducted in terms of the mutual interplay between the thermodynamics and kinetics in this system.

  6. Band alignment of type I at (100)ZnTe/PbSe interface

    NASA Astrophysics Data System (ADS)

    Konovalov, Igor; Emelianov, Vitali; Linke, Ralf

    2016-06-01

    A junction of lattice-matched cubic semiconductors ZnTe and PbSe results in a band alignment of type I so that the narrow band gap of PbSe is completely within the wider band gap of ZnTe. The valence band offset of 0.27 eV was found, representing a minor barrier during injection of holes from PbSe into ZnTe. Simple linear extrapolation of the valence band edge results in a smaller calculated band offset, but a more elaborate square root approximation was used instead, which accounts for parabolic bands. PbSe was electrodeposited at room temperature with and without Cd2+ ions in the electrolyte. Although Cd adsorbs at the surface, the presence of Cd in the electrolyte does not influence the band offset.

  7. Wide emission-tunable CdTeSe/ZnSe/ZnS core–shell quantum dots and their conjugation with E. coli O-157

    SciTech Connect

    Zhou, Haifeng; Zhou, Guangjun; Zhou, Juan; Xu, Dong; Zhang, Xingshuang; Kong, Peng; Yang, Zhongsen

    2015-05-15

    Highlights: • QDs with variety morphology were obtained via an injection controlled process. • 3-D PL spectra of core–shell QDs show different excitation wavelength dependence. • The PL intensity of QDs with ZnSe transition layer increases dramatically. • Core–shell QDs were processed into aqueous phase and conjugated with E. coli O-157. - Abstract: Wide emission-tunable and different morphological alloyed CdTeSe quantum dots (QDs), CdTeSe/ZnS and CdTeSe/ZnSe/ZnS core–shell QDs were successfully synthesized via an injection controlled process. The effect of injection procedure and reaction temperature were systematically discussed and the growth mechanism was proposed. Most efficient PL wavelength was correlated with reaction time and temperature. The 3-D PL spectra of spherical bare CdTeSe and core–shell QDs with different passivation showed different excitation wavelength dependency. The PL intensity of CdTeSe/ZnSe/ZnS core–shell QDs increased greatly in comparison with that of CdTeSe and CdTeSe/ZnSe QDs. ZnSe transition layer played an important role in improving the PL intensity by providing a smoothened interface and gradient band offsets. The core–shell QDs were transferred into aqueous phase and successfully conjugated with Escherichia coli O-157. The proposed phase-transfer and bio-labeling strategy may be applicable to various QDs with different compositions.

  8. Development of ion-implantation confined, shallow mesa stripe (Pn,Sn)Te/Pb(Te,Se) DH laser diodes

    NASA Technical Reports Server (NTRS)

    Fonstad, C. G.; Harton, A.; Jiang, Y.-N.; Appelman, H.

    1983-01-01

    Preliminary results of a program to develop ion implantation confined, shallow mesa stripe (Pb,Sn)Te laser diodes are presented. The practicality of using a shallow mesa stripe to produce single mode laser output and to increase the single mode tuning range are demonstrated. The first results of p-type ion implantation in the lead-tin salts are also reported. It is shown that sodium and lithium both can be used to convert n-type Pb(Te,Se) to p-type. The implant and anneal procedures are described, and electrical characteristics of Li-implanted layers are presented.

  9. Atomic arrangement at ZnTe/CdSe interfaces determined by high resolution scanning transmission electron microscopy and atom probe tomography

    SciTech Connect

    Bonef, Bastien; Rouvière, Jean-Luc; Jouneau, Pierre-Henri; Bellet-Amalric, Edith; Gérard, Lionel; Mariette, Henri; André, Régis; Bougerol, Catherine; Grenier, Adeline

    2015-02-02

    High resolution scanning transmission electron microscopy and atom probe tomography experiments reveal the presence of an intermediate layer at the interface between two binary compounds with no common atom, namely, ZnTe and CdSe for samples grown by Molecular Beam Epitaxy under standard conditions. This thin transition layer, of the order of 1 to 3 atomic planes, contains typically one monolayer of ZnSe. Even if it occurs at each interface, the direct interface, i.e., ZnTe on CdSe, is sharper than the reverse one, where the ZnSe layer is likely surrounded by alloyed layers. On the other hand, a CdTe-like interface was never observed. This interface knowledge is crucial to properly design superlattices for optoelectronic applications and to master band-gap engineering.

  10. Electronic structure of metallic liquid Se-Te alloys

    NASA Astrophysics Data System (ADS)

    Kao, Shaw Shya; Cutler, Melvin

    1988-06-01

    Experimental data for the electrical conductivity σ, the thermopower S, and the magnetic susceptibility χ are analyzed for alloys SexTe100-x in the metallic and near-metallic range of compositions x=0 to 50. Comparison of the behavior of σ and S in the region where the metallic approximation to the transport coefficients is valid shows that σ(EF) is proportional to the Fermi energy EF for x=10 and 20. In view of the validity of the diffusive model for transport, this corresponds to a parabolic density of states N(EF). At x=30, it is found that N(EF) changes to a linear dependence on EF, in keeping with the beginning of band tailing as the Fermi energy approaches the edge of the valence band. For x<=30, the experimental behavior of the paramagnetic susceptibility χP confirms independently the shape of N(EF) deduced from σ and S, and comparison of the three experimental variables yields numerical values for the band parameters. At x=40 and 50, where analysis requires the use of Fermi-Dirac integrals, the behavior of σ and S is still consistent with a linear N(E), but the behavior of the experimental χP indicates that the spin states are separating from the valence band as the temperature is decreased.

  11. Electronic and spin structure of the topological insulator Bi2Te2.4Se0.6

    NASA Astrophysics Data System (ADS)

    Shikin, A. M.; Klimovskikh, I. I.; Eremeev, S. V.; Rybkina, A. A.; Rusinova, M. V.; Rybkin, A. G.; Zhizhin, E. V.; Sánchez-Barriga, J.; Varykhalov, A.; Rusinov, I. P.; Chulkov, E. V.; Kokh, K. A.; Golyashov, V. A.; Kamyshlov, V.; Tereshchenko, O. E.

    2014-03-01

    High-resolution spin- and angle-resolved photoemission spectroscopy measurements were performed on the three-dimensional topological insulator Bi2Te2.4Se0.6, which is characterized by enhanced thermoelectric properties. The Fermi level position is found to be located in the bulk energy gap independent of temperature and it is stable over a long time. Spin textures in the Dirac-cone state at energies above and below the Dirac point as well as in the Rashba-type valence band surface state are observed in agreement with theoretical prediction. The calculations of the surface electronic structure demonstrate that the fractional stoichiometry induced disorder within the Te/Se sublattice does not influence the Dirac-cone state dispersion. In spite of relatively high resistivity, temperature dependence of conductivity shows a weak metallic behavior that could explain the effective thermoelectric properties of the Bi2Te2.4Se0.6 compound with the in-plane Seebeck coefficient reaching -330 μV/K at room temperature.

  12. Thermoelectric transport properties of pristine and Na-doped SnSe(1-x)Te(x) polycrystals.

    PubMed

    Wei, Tian-Ran; Wu, Chao-Feng; Zhang, Xiaozhi; Tan, Qing; Sun, Li; Pan, Yu; Li, Jing-Feng

    2015-11-28

    SnSe, a "simple" and "old" binary compound composed of earth-abundant elements, has been reported to exhibit a high thermoelectric performance in single crystals, which stimulated recent interest in its polycrystalline counterparts. This work investigated the electrical and thermal transport properties of pristine and Na-doped SnSe1-xTex polycrystals prepared by mechanical alloying and spark plasma sintering. It is revealed that SnSe1-xTex solid solutions are formed when x ranges from 0 to 0.2. An energy barrier scattering mechanism is suitable for understanding the electrical conducting behaviour observed in the present SnSe polycrystalline materials, which may be associated with abundant defects at grain boundaries. The thermal conductivity was greatly reduced upon Te substitution due to alloy scattering of phonons as well explained by the Debye model. Due to the increased carrier concentration by Na-doping, thermoelectric figure of merit (ZT) was enhanced in the whole temperature range with a maximum value of 0.72 obtained at a relatively low temperature (773 K) for Sn0.99Na0.01Se0.84Te0.16. PMID:26496971

  13. Controlling electronic structure through epitaxial strain in ZnSe/ZnTe nano-heterostructures

    SciTech Connect

    Yadav, S. K. E-mail: yadav.satyesh@gmail.com; Sharma, V.; Ramprasad, R.

    2015-07-07

    Using first-principles computations, we study the effect of epitaxial strains on electronic structure variations across ZnSe/ZnTe nano-heterostructures. Epitaxial strains of various types are modeled using pseudomorphic ZnSe/ZnTe heterostructures. We find that a wide range of band gaps (spanning the visible solar spectrum) and band offsets (0–1.5 eV) is accessible across the heterostructures in a controllable manner via reasonable levels of epitaxial strain. In addition to quantum confinement effects, strain in ZnSe/ZnTe heterostructures may thus be viewed as a powerful degree of freedom that can enable the rational design of optoelectronic devices.

  14. Diverse lattice dynamics in ternary Cu-Sb-Se compounds

    PubMed Central

    Qiu, Wujie; Wu, Lihua; Ke, Xuezhi; Yang, Jihui; Zhang, Wenqing

    2015-01-01

    Searching and designing materials with extremely low lattice thermal conductivity (LTC) has attracted considerable attention in material sciences. Here we systematically demonstrate the diverse lattice dynamics of the ternary Cu-Sb-Se compounds due to the different chemical-bond environments. For Cu3SbSe4 and CuSbSe2, the chemical bond strength is nearly equally distributed in crystalline bulk, and all the atoms are constrained to be around their equilibrium positions. Their thermal transport behaviors are well interpreted by the perturbative phonon-phonon interactions. While for Cu3SbSe3 with obvious chemical-bond hierarchy, one type of atoms is weakly bonded with surrounding atoms, which leads the structure to the part-crystalline state. The part-crystalline state makes a great contribution to the reduction of thermal conductivity that can only be effectively described by including a rattling-like scattering process in addition to the perturbative method. Current results may inspire new approaches to designing materials with low lattice thermal conductivities for high-performance thermoelectric conversion and thermal barrier coatings. PMID:26328765

  15. Electron beam crystallization of Te 1-xSe x films

    NASA Astrophysics Data System (ADS)

    Vermaak, J. S.; Raubenheimer, D.

    1987-11-01

    In situ transmission electron microscopy has been used to study the effect of high energy electrons on the amorphous-to-crystalline phase transformation, the isothermal growth rates, as well as the structure and orientation of the recrystallized Te 0.7Se 0.3 thin films. It is shown that the beam effect is not a pure thermal effect. It is proposed that the electron beam initiates nucleation and promotes growth by the interaction of the high energy electrons with the van der Waals type bonds between the short composite Te-Se chains.

  16. Specific features of the electronic, spin, and atomic structures of a topological insulator Bi2Te2.4Se0.6

    NASA Astrophysics Data System (ADS)

    Filyanina, M. V.; Klimovskikh, I. I.; Eremeev, S. V.; Rybkina, A. A.; Rybkin, A. G.; Zhizhin, E. V.; Petukhov, A. E.; Rusinov, I. P.; Kokh, K. A.; Chulkov, E. V.; Tereshchenko, O. E.; Shikin, A. M.

    2016-04-01

    The specific features of the electronic and spin structures of a triple topological insulator Bi2Te2.4Se0.6, which is characterized by high-efficiency thermoelectric properties, have been studied with the use of angular- and spin-resolved photoelectron spectroscopy and compared with theoretical calculations in the framework of the density functional theory. It has been shown that the Fermi level for Bi2Te2.4Se0.6 falls outside the band gap and traverses the topological surface state (the Dirac cone). Theoretical calculations of the electronic structure of the surface have demonstrated that the character of distribution of Se atoms on the Te-Se sublattice practically does not influence the dispersion of the surface topological electronic state. The spin structure of this state is characterized by helical spin polarization. Analysis of the Bi2Te2.4Se0.6 surface by scanning tunnel microscopy has revealed atomic smoothness of the surface of a sample cleaved in an ultrahigh vacuum, with a lattice constant of ~4.23 Å. Stability of the Dirac cone of the Bi2Te2.4Se0.6 compound to deposition of a Pt monolayer on the surface is shown.

  17. Analysis of the Influence of Thermal Treatment on the Stability of Ag1-xSb1+xTe2+x and Se-Doped AgSbTe2

    NASA Astrophysics Data System (ADS)

    Wyzga, P. M.; Wojciechowski, K. T.

    2016-03-01

    In order to systematize the knowledge on thermodynamic stability and thermoelectric properties of AgSbTe2-based alloys, several experiments examining the influence of thermal treatment on their structural and thermoelectric properties were performed. Samples with a nominal composition of AgSbTe2 and AgSbTe1.98Se0.02 were prepared and then annealed in various temperature conditions. It was confirmed that Ag1-xSb1+xTe2+x ( β phase) is the only thermodynamically stable ternary compound in the Ag2Te-Sb2Te3 pseudobinary system. It was also proved that thermal stability of β phase is limited—it slowly decomposes below 633 K. In contrast to some reports, it was also indicated that a small amount of Se does not lead to stabilisation of AgSbTe2 crystal structure. Despite slow kinetics of the decomposition processes, thermoelectric properties of the material are notably affected by thermal treatment and amount of Ag2Te precipitations. Maximal ZT value of prepared materials varies from 0.65 at 575 K to 1.07 at 563 K.

  18. Connecting thermoelectric performance and topological-insulator behavior: Bi2Te3 and Bi2Te2Se from first principles

    SciTech Connect

    Shi, Hongliang; Parker, David S.; Du, Mao-Hua; Singh, David J.

    2015-01-20

    Thermoelectric performance is of interest for numerous applications such as waste-heat recovery and solid-state energy conversion and will be seen to be closely connected to topological-insulator behavior. In this paper, we here report first-principles transport and defect calculations for Bi2Te2Se in relation to Bi2Te3. The two compounds are found to contain remarkably different electronic structures in spite of being isostructural and isoelectronic. We also discuss these results in terms of the topological-insulator characteristics of these compounds.

  19. Tuning of thermoelectric properties with changing Se content in Sb2Te3

    NASA Astrophysics Data System (ADS)

    Das, D.; Malik, K.; Deb, A. K.; Kulbachinskii, V. A.; Kytin, V. G.; Chatterjee, S.; Das, D.; Dhara, S.; Bandyopadhyay, S.; Banerjee, A.

    2016-02-01

    Polycrystalline Sb2Te3-x Se x (0.0≤ x≤1.0) samples were synthesized by the solid-state reaction method. The structural analysis showed that up to the maximal concentration of Se, the samples possess rhombohedral crystal symmetry (space group R\\bar{3}m ). The increase of Se content increases the resistivity of the samples. The variation of phonon frequencies, observed from the Raman spectroscopic study, depicts an anomalous behaviour around x=0.2 . The sample Sb2Te2.8Se0.2 also shows maximum Seebeck coefficient, carrier concentration and thermoelectric power factor. The nature of the scattering mechanism controlling the thermopower data has been explored. The thermoelectric properties of the synthesized materials have been analyzed theoretically in the frame of the Boltzmann equation approach.

  20. Direct bandgap materials based on the thin films of Se x Te100 - x nanoparticles

    NASA Astrophysics Data System (ADS)

    Salah, Numan; Habib, Sami S.; Khan, Zishan H.

    2012-09-01

    In this study, we fabricated thin films of Se x Te100 - x ( x = 0, 3, 6, 9, 12, and 24) nanoparticles using thermal evaporation technique. The results obtained by X-ray diffraction show that the as-synthesized nanoparticles have polycrystalline structure, but their crystallinity decreases by increasing the concentration of Se. They were found to have direct bandgap ( E g), whose value increases by increasing the Se content. These results are completely different than those obtained in the films of Se x Te100 - x microstructure counterparts. Photoluminescence and Raman spectra for these films were also demonstrated. The remarkable results obtained in these nanoparticles specially their controlled direct bandgap might be useful for the development of optical disks and other semiconductor devices.

  1. Thermoelectric properties of indium doped PbTe{sub 1-y}Se{sub y} alloys

    SciTech Connect

    Bali, Ashoka; Mallik, Ramesh Chandra; Wang, Heng; Snyder, G. Jeffrey

    2014-07-21

    Lead telluride and its alloys are well known for their thermoelectric applications. Here, a systematic study of PbTe{sub 1-y}Se{sub y} alloys doped with indium has been done. The powder X-Ray diffraction combined with Rietveld analysis confirmed the polycrystalline single phase nature of the samples, while microstructural analysis with scanning electron microscope results showed densification of samples and presence of micrometer sized particles. The temperature dependent transport properties showed that in these alloys, indium neither pinned the Fermi level as it does in PbTe, nor acted as a resonant dopant as in SnTe. At high temperatures, bipolar effect was observed which restricted the zT to 0.66 at 800 K for the sample with 30% Se content.

  2. Spray Deposition of High Quality CuInSe2 and CdTe Films: Preprint

    SciTech Connect

    Curtis, C. J.; van Hest, M.; Miedaner, A.; Leisch, J.; Hersh, P.; Nekuda, J.; Ginley, D. S.

    2008-05-01

    A number of different ink and deposition approaches have been used for the deposition of CuInSe2 (CIS), Cu(In,Ga)Se2 (CIGS), and CdTe films. For CIS and CIGS, soluble precursors containing Cu, In, and Ga have been developed and used in two ways to produce CIS films. In the first, In-containing precursor films were sprayed on Mo-coated glass substrates and converted by rapid thermal processing (RTP) to In2Se3. Then a Cu-containing film was sprayed down on top of the In2Se3 and the stacked films were again thermally processed to give CIS. In the second approach, the Cu-, In-, and Ga-containing inks were combined in the proper ratio to produce a mixed Cu-In-Ga ink that was sprayed on substrates and thermally processed to give CIGS films directly. For CdTe deposition, ink consisting of CdTe nanoparticles dispersed in methanol was prepared and used to spray precursor films. Annealing these precursor films in the presence of CdCl2 produced large-grained CdTe films. The films were characterized by x-ray diffraction (XRD) and scanning electron microscopy (SEM). Optimized spray and processing conditions are crucial to obtain dense, crystalline films.

  3. Low-temperature photoluminescence analysis of CdTeSe crystals for radiation-detector applications

    SciTech Connect

    YANG G.; Roy, U. N.; Bolotnikov, A. E.; Cui, Y.; Camarda, G.S.; Hossain, A.; and James, R. B.

    2015-10-05

    Goal: Understanding the changes of material defects in CdTeSe following annealing. Experimental results and discussions: Infrared (IR) transmission microscopy; current-voltage measurements (Highlight: Improvement of resistivity of un-doped crystals after annealing); low-temperature photoluminescence (PL) spectrum of as-grown and annealed samples.

  4. Atomistic simulations of the optical absorption of type-II CdSe/ZnTe superlattices

    PubMed Central

    2012-01-01

    We perform accurate tight binding simulations to design type-II short-period CdSe/ZnTe superlattices suited for photovoltaic applications. Absorption calculations demonstrate a very good agreement with optical results with threshold strongly depending on the chemical species near interfaces. PMID:23031315

  5. Cd and Te-based ohmic contact materials to p-Type ZnSe

    NASA Astrophysics Data System (ADS)

    Hashimoto, K.; Koide, Y.; Tadanaga, O.; Oku, T.; Teraguchi, N.; Tomomuea, Y.; Suzuki, A.; Murakami, Masanori

    1996-12-01

    In order to explore a possibility of forming an intermediate semiconductor layer with low Schottky barrier by the conventional deposition and annealing technique, the electrical properties of Cd and Te-based contacts on the nitrogendoped ZnSe substrates have been investigated. Cd in the Cd/W contact reacted with the ZnSe substrate after annealing at temperatures above 250°C and formed epitaxial Ccx}Zn1-xSe layers, leading to reduction of the “turn-on” voltage (VT) from about 11 to 6 V (here, a slash “/” between Cd and W means the deposition sequence). The reduction of the Vn} value by annealing at elevated temperatures was also observed for the Bi-Cd/W and In-Cd/W contacts. The average Cd composition (x) in the Cdn}Zn1-xSe layers was measured to be larger than 0.9, which agreed with the values estimated from the calculated Cd-Zn-Se phase diagrams. The ohmic behavior was strongly influenced by the thickness of the CdxZn1-xSe layer, the density of misfit dislocations formed at the interface between the Cdx Zn1-x Se and the ZnSe, and/or the total area of the Cd Zn. Se layers covering the ZnSe surface. The present result suggests that formation of the large-areal CcxZn1-xSe layers with thin thickness is crucial to achieve further reduction of the VT value by the conventional deposition and annealing technique. Also, the VT reduction was not obtained for the Te/W contact even after annealing at temperatures close to 300°C, which was explained to be due to absence of ternary ZnSe1-xTen intermediate layers.

  6. Structural Study of Liquid Se-Te Alloys by Neutron Diffraction

    NASA Astrophysics Data System (ADS)

    Takeda, Shin'ichi; Tamaki, Shigeru; Waseda, Yoshio

    1986-12-01

    The neutron diffraction study of liquid Se-Te system has been carried out to reveal the origin of characteristic temperature dependence of various properties related to the structural order in atomic scale. The temperature dependence of measured structural functions of liquid SexTe1-x system could be explained by a gradual transition from two-fold coordinated component (non-metallic) to the three-fold coordinated one (metallic). The partial structure factors of these two-fold and three-fold coordinations are separated with the help of the thermodynamic data. A configurational model satisfying these situations is also presented.

  7. Superconductivity in strong spin orbital coupling compound Sb2Se3

    SciTech Connect

    Kong, P. P.; Sun, F.; Xing, L. Y.; Zhu, J.; Zhang, S. J.; Li, W. M.; Liu, Q. Q.; Wang, X. C.; Feng, S. M.; Yu, X. H.; Zhu, J. L.; Yu, R. C.; Yang, W. G.; Shen, G. Y.; Zhao, Y. S.; Ahuja, R.; Mao, H. K.; Jin, C. Q.

    2014-10-20

    Recently, A2B3 type strong spin orbital coupling compounds such as Bi2Te3, Bi2Se3 and Sb2Te3 were theoretically predicated to be topological insulators and demonstrated through experimental efforts. The counterpart compound Sb2Se3 on the other hand was found to be topological trivial, but theoretical studies indicated that the pressure might induce Sb2Se3 into a topological nontrivial state. We report on the discovery of superconductivity in Sb2Se3 single crystal induced via pressure. Our experiments indicated that Sb2Se3 became superconductive at high pressures above 10 GPa proceeded by a pressure induced insulator to metal like transition at ~3 GPa which should be related to the topological quantum transition. The superconducting transition temperature (TC) increased to around 8.0 K with pressure up to 40 GPa while it keeps ambient structure. As a result, high pressure Raman revealed that new modes appeared around 10 GPa and 20 GPa, respectively, which correspond to occurrence of superconductivity and to the change of TC slop as the function of high pressure in conjunction with the evolutions of structural parameters at high pressures.

  8. New application of scintillator ZnSe(Te) in scintielectronic detectors for detection of neutrons, medical imaging, explosive detection, and NDT

    NASA Astrophysics Data System (ADS)

    Ryzhikov, Volodymyr D.; Opolonin, Oleksandr D.; Fedorov, Alexander G.; Lysetska, Olena K.; Kostioukevitch, Sergey A.

    2008-08-01

    Scintillators on the basis of AIIBVI compounds, such as ZnSe(Te), can be used for detection of secondary charged particles coming from nuclear reactions in which neutrons interact with target nuclei of atoms present in transparent materials of dispersion scintillation detectors matrices. Using unique properties of scintillator ZnSe(Te) we show possibility of increase detection efficiency for soft x-ray radiation (20 - 90 keV). The amorphous silicon flat panels and the photodiode arrays wide used for non-destructive testing and medical imaging (spatial resolution 20 - 400 mkm). By our estimations, using of such detectors in combination with thin film of ZnSe(Te) can increase efficiency of registration of x-ray radiation (for the source of 60-140kV) in 1,2 - 2 times. We obtained thin films (10-450mkm) of scintillator ZnSe(Te) on the different substrate materials and estimated the relative light yield of the layers deposited on the graphite and Al2O3 ceramic substrates and the bulk ZnSe(Te) crystal. Use of ZnSe(Te) in the low-energy "scintillator - photodiode" type detector allowed to increase accuracy of authentication of explosives (HEIMANN X-RAY INSPECTION SYSTEM EDtS10080). Using the dual energy digital radiography system prototype we obtained the x-ray images (60 projections of each object). These images are basic data for computer tomography and three-dimensional reconstruction of density and effective atomic number. The color identification palette provides clearly show variations of effective atomic number in biological and inorganic objects. So, for example, changes of calcium concentration in a bone. The research described in this publication was supported by STCU #4115 and NATO SfP-982823.

  9. Physical properties, crystal and magnetic structure of layered Fe[subscript 1.11]Te[subscript 1;#8722;x]Se[subscript x] superconductors

    SciTech Connect

    Xiao, Y.; Su, Y.; Kumar, C.M.N.; Ritter, C.; Mittal, R.; Price, S.; Perßon, J.; Brückel, Th.

    2012-10-23

    The physical and structural properties of Fe1.11Te and Fe1.11Te0.5Se0.5 have been investigated by means of X-ray and neutron diffraction as well as physical property measurements. For the Fe1.11Te compound, the structure distortion from a tetragonal to monoclinic phase takes place at 64 K accompanied with the onset of antiferromagnetic order upon cooling. The magnetic structure of the monoclinic phase was confirmed to be of antiferromagnetic configuration with a propagation vector k = (1/2, 0, 1/2) based on Rietveld refinement of neutron powder diffraction data. The structural/magnetic transitions are also clearly visible in magnetic, electronic and thermodynamic measurements. For superconducting Fe1.11Te0.5Se0.5 compound, the superconducting transition with T c = 13.4 K is observed in the resistivity and ac susceptibility measurements. The upper critical field H c2 is obtained by measuring the resistivity under different magnetic fields. The Kim's critical state model is adopted to analyze the temperature dependence of the ac susceptibility and the intergranular critical current density is calculated as a function of both field amplitude and temperature. Neutron diffraction results show that Fe1.11Te0.5Se0.5 crystalizes in tetragonal structure at 300 K as in the parent compound Fe1.11Te and no structural distortion is detected upon cooling to 2 K. However an anisotropic thermal expansion anomaly is observed around 100 K.

  10. Modelling potential photovoltaic absorbers Cu3MCh4(M = V, Nb, Ta; Ch = S, Se, Te) using density functional theory.

    PubMed

    Kehoe, Aoife B; Scanlon, David O; Watson, Graeme W

    2016-05-01

    The geometric and electronic properties of a series of potential photovoltaic materials, the sulvanite structured Cu3MCh4(M = V, Nb, Ta; Ch = S, Se, Te), have been computationally examined using both PBEsol+U and HSE06 methods to assess the materials' suitability for solar cell application and to compare the predictions of the two theoretical approaches. The lattice parameters, electronic density of states, and band gaps of the compounds have been calculated to ascertain the experimental agreement obtained by each method and to determine if any of the systems have an optical band gap appropriate for photovoltaic absorber materials. The PBEsol+U results are shown to achieve better agreement with experiment than HSE06 in terms of both lattice constants and band gaps, demonstrating that higher level theoretical methods do not automatically result in a greater level of accuracy than their computationally less expensive counterparts. The PBEsol+U calculated optical band gaps of five materials suggest potential suitability as photovoltaic absorbers, with values of 1.72 eV, 1.49 eV, 1.19 eV, 1.46 eV, and 1.69 eV for Cu3VS4, Cu3VSe4, Cu3VTe4, Cu3NbTe4, and Cu3TaTe4, respectively, although it should be noted that all fundamental band gaps are indirect in nature, which could lower the open-circuit voltage and hence the efficiency of prospective devices.

  11. Competition between applied and exchange magnetic fields in (Zn,Mn)Se/ZnTe quantum dots

    NASA Astrophysics Data System (ADS)

    Barman, Biplob; Tsai, Y.; Scrace, T.; Zutic, I.; McCombe, B. D.; Petrou, A.; Chou, W.-C.; Tsou, M.-H.; Yang, C.-S.; Sellers, I. R.; Oszwaldowski, R.; SUNY Buffalo Collaboration; National Chiao Tung University, Taiwan Collaboration; Graduate Institute of Electro-Optical Engineering, Tatung University, Taiwan Collaboration; University of Oklahoma Collaboration; South Dakota School of Mines; Technology Collaboration

    2015-03-01

    We have measured the peak energy of the photoluminescence (PL) emission and its circular polarization from type II (Zn,Mn)Se/ZnTe Quantum Dot structures in the Faraday and Voigt geometries. In the Faraday geometry the PL energy shows a 6 meV red shift at B =6 tesla. This result verifies that the holes are confined in the non-magnetic ZnTe QDs, while the electrons move in the magnetic (Zn,Mn)Se matrix. The PL circular polarization saturates at 45%. In the Voigt geometry, the circular polarization is near-zero and the red shift is 2 meV. These results are discussed using a model that takes into account that electrons are influenced by the combination of the externally applied magnetic field and the exchange field due to the interaction between the Mn-spins and the carriers. This work is supported by DOE-BES and NSF-DMR.

  12. Thermal annealing induced structural and optical properties of Se72Te25In3 thin films

    NASA Astrophysics Data System (ADS)

    Pathak, H. P.; Shukla, Nitesh; Kumar, Vipin; Dwivedi, D. K.

    2016-05-01

    Thin films of a- Se72Te25In3 were prepared by vacuum evaporation technique in a base pressure of 10-6 Torr on to well cleaned glass substrate. a-Se72Te25In3 thin films were annealed at different temperatures below their crystallization temperatures for 2h. The structural analysis of the films has been investigated using X-ray diffraction technique. The optical absorption spectra of these films were measured in the wavelength range 400-1100 nm in order to derive the absorption coefficient of these films. The optical band gap of as prepared and annealed films as a function of photon energy has been studied. It has been found that the optical band gap decreases with increasing annealing temperatures in the present system.

  13. Photoluminescence studies of type-II CdSe/CdTe superlattices

    SciTech Connect

    Li Jingjing; Johnson, Shane R.; Wang Shumin; Ding Ding; Ning Cunzheng; Zhang Yonghang; Yin Leijun; Skromme, B. J.; Liu Xinyu; Furdyna, Jacek K.

    2012-08-06

    CdSe/CdTe type-II superlattices grown on GaSb substrates by molecular beam epitaxy are studied using time-resolved and steady-state photoluminescence (PL) spectroscopy at 10 K. The relatively long carrier lifetime of 188 ns observed in time-resolved PL measurements shows good material quality. The steady-state PL peak position exhibits a blue shift with increasing excess carrier concentration. Self-consistent solutions of the Schroedinger and Poisson equations show that this effect can be explained by band bending as a result of the spatial separation of electrons and holes, which is critical confirmation of a strong type-II band edge alignment between CdSe and CdTe.

  14. Glass-forming ability and rigidity percolation in SeTePb lone-pair semiconductors

    NASA Astrophysics Data System (ADS)

    Sharma, Pankaj

    2016-04-01

    Correlating the various physical parameters of known semiconductors and pointing the properties of new ones, a number of parameters have been employed recently with different levels of success. Taking this into account an attempt has been made to correlate the physical properties of Pb-doped Se-Te lone-pair semiconductors. The small band gap and large Bohr radius of lead (Pb) containing lone-pair semiconductors assist them with specific optical, electrical and thermal properties. The various physical parameters like number of constraints, lone pair of electron, heat of atomization, density, compactness, free volume percentage have been analyzed in terms of mean coordination number for (Se90Te10)100- x Pb x (x = 0, 4, 8, 12, 16, 20, 24). The band gap for the compositions has been determined theoretically, and the obtained results are very well explained in terms of cohesive energy, electronegativity and average single bond energy.

  15. Preparation and thermoelectric properties of Bi2Te2.7Se0.3 nanocomposites

    NASA Astrophysics Data System (ADS)

    Kim, Il-Ho; Choi, Soon-Mok; Seo, Won-Seon; Cheong, Dong-Ik

    2012-11-01

    Cu- or Ag-dispersed Bi2Te2.7Se0.3 nanocomposites were prepared by using metal-acetate decomposition and hot pressing. Cu or Ag nanoparticles were well-dispersed in the Bi2Te2.7Se0.3 matrix, and thereby the power factor was greatly increased due to the increase in the effective mass of a carrier. However, Cu or Ag dispersion did not affect the carrier concentration and could not reduce the lattice thermal conductivity because Cu or Ag nanoparticles did not act as phonon scattering centers effectively. The thermoelectric figure of merit was enhanced remarkably over a wide temperature range of 323-523 K due to the high power factor. Compared to Ag dispersion, Cu dispersion was much more effective in enhancing the thermoelectric performance.

  16. Modified magnetism within the coherence volume of superconducting FeSeTe

    SciTech Connect

    Leiner, Jonathan C; Thampy, Vivek; Christianson, Andrew D; Abernathy, D.; Stone, Matthew B; Lumsden, Mark D; Sales, Brian C; Safa-Sefat, Athena; Hu, Jin; Mao, Zhiqiang; Bao, Wei; Broholm, Collin L

    2014-01-01

    Neutron Scattering is used to probe magnetic interactions as superconductivity develops in opti- mally doped Fe_(1+ )Se_xTe_(1 x). Applying the first moment sum-rule to comprehensive neutron scatter- ing data, we extract the change in magnetic exchange energy [J_(R-R ) S_R S_R ] in the superconducting state referenced to the normal state. Oscillatory changes are observed for Fe-Fe displacements | R| < , where = 1.3(1) nm is the superconducting coherence length. Dominated by a large reduction in the second nearest neighbor exchange energy (-1.2(2) meV/Fe), the overall reduction in magnetic interaction energy is Hmag = 0.31(9) meV/Fe. Comparison to the superconducting condensation energy E_sc = 0.013(1) meV/Fe, which we extract from specific heat data, suggests the modified magnetism we probe drives superconductivity in Fe_(1+ )Se_xTe_(1 x)

  17. ZnSe interlayer effects on properties of (CdS/ZnSe)/BeTe superlattices grown by molecular beam epitaxy

    SciTech Connect

    Li, B.S.; Akimoto, R.; Akita, K.; Hasama, T.

    2006-02-15

    We study the dependence of structural properties on the thickness of the ZnSe interlayer (IL) in (CdS/ZnSe)/BeTe superlattices (SLs); this is crucial for improving the growth mode in this heterostructure. The in situ reflection of high-energy electron diffraction oscillation and high-resolution x-ray diffraction spectra show a perfect structure that is obtained by introducing a ZnSe IL between CdS and BeTe. An intersubband transition (ISB-T) down to 1.57 {mu}m with a full width at half maximum of 90 meV has been observed in (CdS/ZnSe)/BeTe SLs. A strong ISB-T is observed when the ZnSe IL {>=}1 monolayer (ML); however, it completely disappears with the introduction of a 0.5 ML ZnSe IL in (CdS/ZnSe)/BeTe SLs. High-resolution transmission electron microscopy images reveal that a sharp interface is formed in the barrier and well transition region in the structure with ZnSe IL {>=}1 ML; however, the interfaces become rough and thick in those with a 0.5 ML ZnSe IL. This indicates that the properties of the interface in (CdS/ZnSe)/BeTe SLs play an important role in the performance of ISB absorption. A growth model is proposed to explain two-dimensional growth with the insertion of a ZnSe ML into the BeTe/CdS heterostructure. Based on this growth model, the properties of the interface in this structure are explained.

  18. Thermoelectric properties of Nb3SbxTe7-x compounds

    NASA Technical Reports Server (NTRS)

    Snyder, J.; Wang, S.; Caillat, T.

    2002-01-01

    Niobium antimony telluride, Nb3Sbx,Te7-x, was synthesized and tested for thermoelectric properties in the Thermoelectrics group at the Jet Propulsion Laboratory. The forty atoms per unit cell of Nb3Sb2Te5 and its varied mixture of atoms yield acomplicated structure, suggesting that Nb3Sb2Te5 and related compounds may exhibit low thermal conductivity and hence a higher ZT value. Nb3SbxTe7-x, compounds were synthesized and subsequently analyzed for their Seebeck voltage, heat conduction, and electrical resistivity. Results indicate that Nb3Sb2Te5 is a heavily doped semiconductor whose thermoelectric properties are compromised by compensating n-type and p-type carriers. Attempts to dope in favor of either carrier by varying the Sb:Te ratio yielded samples containing secondary metallic phases that dominated the transport properties of the resulting compounds.

  19. Normal state above the upper critical feld in Fe1+y Te1-x (Se,S)x

    NASA Astrophysics Data System (ADS)

    Wang, Aifeng; Kampert, Erik; Saadaoui, H.; Luetkens, H.; Hu, Rongwei; Morenzoni, E.; Wosnitza, J.; Petrovic, Cedomir

    We have investigated characteristics of the normal state above the upper critical field (Hc2) in Fe1.14Te0.7Se0.3, Fe1.02Te0.61Se0.39, Fe1.05Te0.89Se0.11, and Fe1.06Te0.86S0.14. Superconductivity is suppressed in high magnetic fields above 60 Tesla, allowing for the insight into normal state below the superconducting transition temperature (Tc). We show that Fe1.14Te0.7Se0.3 and Fe1.02Te0.61Se0.39 resistivity above the Hc2 is metallic as T -->0, just like the normal state resistivity above Tc. On the other hand, Fe1.05Te0.89Se0.11 and Fe1.06Te0.86S0.14 normal state resistivity is nonmetallic as T -->0, reflecting the normal state resistivity above Tc. These results suggest that conductivity of normal states above Hc2 is connected with the details of crystal structure inhomogeneity.

  20. Phase correlations in the CuAlSe2-CuAlTe2 system

    NASA Astrophysics Data System (ADS)

    Korzun, B. V.; Fadzeyeva, A. A.; Bente, K.; Schmitz, W.; Kommichau, G.

    2005-07-01

    Alloys in the CuAlSe2-CuAlTe2 system were synthesized in BN-crucibles in silica tubes under vacuum to obtain the corresponding phase equilibria. X-ray powder diffraction and thermal analytic data of the T-x phase diagram revealed a complete solid solutions series in the subsolidus region. Within the CuAlSe2xTe2(1-x) system the refined lattice parameters a and c approximately obey the Vegard rule and also the cell volume and the heat of fusion confirm linear correlations with the composition of the mixed crystals. The anion position parameter calculated after S. C. Abrahams & J. L. Bernstein (uAB) and J. E Jaffe & A. Zunger (uJZ) is greater than 0.25 and reveals a linear dependence on composition. The liquidus part of the CuAlSe2xTe2(1-x) system with x < 0.35 exhibits vertical section behaviour with a ternary peritectic followed up by a ternary monotectic whereas the region with x > 0.35 shows quasibinary equilibria.

  1. Tunable Intrinsic Spin Hall Conductivities in Bi2(Se,Te)3 Topological Insulators

    NASA Astrophysics Data System (ADS)

    Şahin, Cüneyt; Flatté, Michael E.

    2015-03-01

    It has been recently shown by spin-transfer torque measurements that Bi2Se3 exhibits a very large spin Hall conductivity (SHC). It is expected that Bi2Te3, a topological insulator with similar crystal and band structures as well as large spin-orbit coupling, would also exhibit a giant SHC. In this study we have calculated intrinsic spin Hall conductivities of Bi2Se3andBi2Te3 topological insulators from a tight-binding Hamiltonian including two nearest-neighbor interactions. We have calculated the Berry curvature, used the Kubo formula in the static, clean limit and shown that both materials exhibit giant spin Hall conductivities, consistent with the results of Ref. 1 and larger than previously reported Bi1-xSbx alloys. The density of Berry curvature has also been computed from the full Brillouin zone in order to compute the dependence of the SHC in these materials on the Fermi energy. Finally we report the intrinsic SHC for Bi2(Se,Te)3 topological insulators, which changes dramatically with doping or gate voltage. This work was supported in part by C-SPIN, one of six centers of STARnet, a Semiconductor Research Corporation program, sponsored by MARCO and DARPA.

  2. Magnetic polarons in type-II (Zn,Mn)Se/ZnTe quantum dots

    NASA Astrophysics Data System (ADS)

    Murphy, J. R.; Barman, B.; Tsai, Y.; Scrace, T.; Pientka, J. M.; Zutic, I.; McCombe, B. D.; Petrou, A.; Cartwright, A. N.; Chou, W. C.; Tsou, M. H.; Yang, C. S.; Sellers, I. R.; Oszwaldowski, R.; Petukhov, A. G.

    2014-03-01

    We have studied magnetic polaron formation dynamics in (Zn,Mn)Se/ZnTe quantum dots2 (QDs) using time-resolved photoluminescence (TRPL) spectroscopy. The emitted light was spectrally and temporally analyzed; the emission spectra were recorded as function of time delay (Δt) from the exciting laser pulse. The recombination time at T = 10 K in our samples is 2.3 ns. The peak energy of the emission red shifts with increasing Δt due to the lowering of the hole-Mn spin complex (magnetic polaron) energy. From this shift we determined the magnetic polaron formation energy (EMP) at T = 10 K to be 20 meV, which is half the value observed in the ZnSe/(Zn,Mn)Te system studied previously.3EMP decreases with increasing temperature, in contrast to the behavior of the ZnSe/(Zn,Mn)Te system3 in which EMP is temperature independent. These results are discussed in terms of a theoretical model. This work is supported by DOE-BES, ONR and NSF.

  3. Conduction Mechanism in n-CdSe/ p-ZnTe Heterojunction

    NASA Astrophysics Data System (ADS)

    Acharya, Shashidhara; Bangera, Kasturi V.; Shivakumar, G. K.

    2016-07-01

    This work reports on fabrication using vacuum evaporation and characterization of n-CdSe/ p-ZnTe heterojunctions. Before forming the junction, CdSe and ZnTe layers were characterized for crystal structure and chemical composition to account for observed electrical properties. The heterojunction was characterized by current-voltage ( I- V) measurements, temperature dependence of reverse saturation current, admittance, and capacitance-voltage ( C- V) measurements. I- V characteristics of the heterojunction exhibited clear diode nature with rectification ratio of 9.05 at ±0.5 V and ideality factor n = 3.34. From the temperature dependence of the I- V characteristic, a barrier height ϕ b of 0.36 eV was determined for the CdSe-ZnTe junction. Conduction mechanism analysis revealed contributions from both thermionic and space-charge-limited conduction. Furthermore, the shunt leakage current was found to be space-charge limited, showing symmetry in current near V = 0 V. The dependence of capacitance on frequency and bias voltage has been analyzed to identify the bulk and interface defects. These measurements indicate the presence of bulk defects and high series resistance, severely affecting current transport.

  4. Transport Properties of SbTeSe Phase-Change Media

    NASA Astrophysics Data System (ADS)

    Wu, Chih; Yao, Yeong; Huang, Der

    1998-04-01

    The low-temperature electrical resistivities ρ, magneticsusceptibility χ and structure of Sb2Te3-xSex compounds (x=0, 0.6, 0.9, 1.2, 3) have been investigated. In all the samples, the ρbehavior with temperature T is metallic except in the case of the samplewith x = 3. We extract the electron-phonon coupling constant λ bycomparing our experimental results with the Boltzmann transport theory. Thehigh residual electrical resistivity is explained as being due to thelow-conduction electron density. All the compounds exhibit diamagneticbehavior, however, the magnetic susceptibility χ(T) exhibitsparamagnetic behavior with T.

  5. Structural and optical properties of CdTe/CdSe heterostructure multilayer thin films prepared by physical vapor deposition technique

    NASA Astrophysics Data System (ADS)

    David Kumar, M. Melvin; Devadason, Suganthi

    2013-10-01

    CdTe/CdSe heterostructure multilayer thin films and single layers of CdSe and CdTe thin films were prepared. Sequential thermal evaporation technique is made possible to adjust the layer thickness precisely. XRD studies were used to calculate average size of the crystallites and confirmed the (111) and (100) planes of CdTe and CdSe, respectively. Bulk CdTe has band gap energy of 1.54 eV that can be shifted to larger values by reducing the crystallite size to dimensions smaller than the Bohr radius of the exciton. Experimentally measured energy levels show the spin-orbit split of valance band of CdTe. Crystallite sizes (7-12 nm) were calculated with the predictions of effective mass approximation model (i.e., Brus model) which shows that the diameter of crystallites were much smaller than the Bohr exciton diameter (14 nm) of CdTe. It is found that the emission peaks of the prepared CdTe/CdSe ML samples were shifted from the peaks of CdSe and CdTe single layers toward red region as a characteristic of type II band alignment.

  6. Ternary chalcogenides Cs2Zn3Se4 and Cs2Zn3Te4 : Potential p -type transparent conducting materials

    DOE PAGES

    Shi, Hongliang; Saparov, Bayrammurad; Singh, David J.; Sefat, Athena S.; Du, Mao-Hua

    2014-11-11

    Here we report prediction of two new ternary chalcogenides that can potentially be used as p-type transparent conductors along with experimental synthesis and initial characterization of these previously unknown compounds, Cs2Zn3Ch4 (Ch = Se, Te). In particular, the structures are predicted based on density functional calculations and confirmed by experiments. Phase diagrams, electronic structure, optical properties, and defect properties of Cs2Zn3Se4 and Cs2Zn3Te4 are calculated to assess the viability of these materials as p-type TCMs. Cs2Zn3Se4 and Cs2Zn3Te4, which are stable under ambient air, display large optical band gaps (calculated to be 3.61 and 2.83 eV, respectively) and have smallmore » hole effective masses (0.5-0.77 me) that compare favorably with other proposed p-type TCMs. Defect calculations show that undoped Cs2Zn3Se4 and Cs2Zn3Te4 are p-type materials. However, the free hole concentration may be limited by low-energy native donor defects, e.g., Zn interstitials. Lastly, non-equilibrium growth techniques should be useful for suppressing the formation of native donor defects, thereby increasing the hole concentration.« less

  7. Vapor Growth and Characterization of ZnSeTe Solid Solutions

    NASA Technical Reports Server (NTRS)

    Su, Ching-Hua; Sha, Yi-Gao; Volz, M. P.; Carpenter, P.; Lehoczky, S. L.

    2000-01-01

    Six ZnSe(1-x)Te(x) crystals were grown by the physical vapor transport technique. For each of the source material compositions, x = 0.10, 0.20 and 0.30, two crystals were grown - one under the horizontal and the other under the vertical stabilized configurations. The axial and radial compositional uniformity were measured by precision density measurements, wavelength dispersive X-ray spectroscopy (WDS) and optical transmission mappings. The measured radial ZnTe content was quite uniform for all the grown crystals except the horizontally grown crystal for x = 0.30. The WDS results on this crystal indicated a core with uniform ZnTe content, about 0.38, surrounded by a thin region of high ZnTe content with x = 0.8. This feature was confirmed by the SEM back scattering electron images. For the three source compositions the axial compositional variations for the vertically grown crystals were more uniform than that for the horizontally grown crystals. The measured compositions in the crystals grown from source composition of x = 0.10 suggest that the transport mechanism in the system can not be interpreted by a simple one-dimensional diffusion limited model.

  8. Possible mixed coupling mechanism in FeTe1-x Se x within a multiband Eliashberg approach

    NASA Astrophysics Data System (ADS)

    Ummarino, G. A.; Daghero, D.

    2015-11-01

    We show that the phenomenology of the iron chalcogenide superconductor FeTe1-x Se x can be explained within an effective three-band s+/- -wave Eliashberg model. In particular, various experimental data reported in literature—the critical temperature, the energy gaps, the upper critical field, the superfluid density—can be reproduced by this model in a moderate strong-coupling regime provided that both an intraband phononic term and an interband antiferromagnetic spin-fluctuations term are included in the coupling matrix. The intraband coupling is unusual in Fe-based compounds and is required to explain the somehow anomalous association between gap amplitudes and Fermi surfaces, already evidenced by ARPES.

  9. Parity violation energies of C4H4X2 molecules for X = O, S, Se, Te and Po†

    NASA Astrophysics Data System (ADS)

    Pelloni, Stefano; Faglioni, Francesco; Lazzeretti, Paolo

    2013-09-01

    Parity-violating contributions, with the same magnitude but opposite sign, to the energies of 1,2 enantiomers of dioxin, dithiin, diselenin, ditellurin and dipolonin have been calculated. Theoretical predictions, which can be classified among the largest reported so far, indicate that the P enantiomer is energetically more stable than M. As expected, parity-violating effects increase with the first power of the neutron number and the fourth power of the atomic number for X = O, S, Se, Te and Po. The trend predicted by Laerdahl and Schwerdtfeger [Phys. Rev. A 60, 4439 (1999)] and by Berger [J. Chem. Phys. 129, 154105 (2008)] for H2X2 molecules, characterised by free rotation about the X-X internuclear axis, is therefore confirmed for the series of more rigid C4H4X2 compounds, in which limited deformations can take place.

  10. A magnetic glassy phase in Fe(1+y)Se(x)Te(1-x) single crystals.

    PubMed

    Lamura, G; Shiroka, T; Bonfà, P; Sanna, S; Bernardini, F; De Renzi, R; Viennois, R; Giannini, E; Piriou, A; Emery, N; Cimberle, M R; Putti, M

    2013-04-17

    The evolution of magnetic order in Fe1+ySexTe1-x crystals as a function of Se content was investigated by means of ac/dc magnetometry and muon-spin spectroscopy. Experimental results and self-consistent density functional theory calculations both indicate that muons are implanted in vacant iron-excess sites, where they probe a local field mainly of dipolar origin, resulting from an antiferromagnetic (AFM) bicollinear arrangement of iron spins. This long-range AFM phase becomes progressively disordered with increasing Se content. At the same time all the tested samples manifest a marked glassy character that vanishes for high Se contents. The presence of local electronic/compositional inhomogeneities most likely favours the growth of clusters whose magnetic moment 'freezes' at low temperature. This glassy magnetic phase justifies both the coherent muon precession seen at short times in the asymmetry data, as well as the glassy behaviour evidenced by both dc and ac magnetometry.

  11. Role of chalcogen vapor annealing in inducing bulk superconductivity in Fe1+yTe1-xSex [How does annealing in chalcogen vapor induce superconductivity in Fe1+yTe-xSex?

    SciTech Connect

    Lin, Wenzhi; Ganesh, P.; Gianfrancesco, Anthony; Berlijn, Tom; Maier, Thomas A.; Kalinin, Sergei V.; Sales, Brian C.; Pan, Minghu

    2015-02-01

    Recent investigations have shown that Fe1+yTe1-xSex can be made superconducting by annealing it in Se and O vapors. The current lore is that these chalcogen vapors induce superconductivity by removing the magnetic excess Fe atoms. To investigate this phenomenon we performed a combination of magnetic susceptibility, specific heat and transport measurements together with scanning tunneling microscopy and spectroscopy and density functional theory calculations on Fe1+yTe1-xSex treated with Te vapor. We conclude that the main role of the Te vapor is to quench the magnetic moments of the excess Fe atoms by forming FeTem (m ≥ 1) complexes. We show that the remaining FeTem complexes are still damaging to the superconductivity and therefore that their removal potentially could further improve superconductive properties in these compounds.

  12. Strain-controlled switch between ferromagnetism and antiferromagnetism in 1 T -Cr X2 (X =Se , Te) monolayers

    NASA Astrophysics Data System (ADS)

    Lv, H. Y.; Lu, W. J.; Shao, D. F.; Liu, Y.; Sun, Y. P.

    2015-12-01

    We report on the strain-induced switch between ferromagnetic (FM) and antiferromagnetic (AFM) orderings in 1 T -Cr X2 (X =Se , Te) monolayers based on first-principles calculations. The CrSe2 and CrTe2 monolayers without strains are found to be AFM and FM, respectively. Under biaxial tensile strain, the CrSe2 monolayer tends to be FM when the strain is larger than 2%. The FM state is further stabilized when the strain is increased. Moreover, the CrSe2 monolayer becomes half metallic when the tensile strain is larger than 10%, while for the CrTe2 monolayer, the critical strain at which the transition between the FM and AFM states occurs is compressive, of -1 % . Relatively small tensile strains of 4% and 2%, respectively, can enhance the Curie temperature of the CrSe2 and CrTe2 monolayers above room temperature. The strain-induced switch between the FM and AFM states in a CrSe2 (CrTe2) monolayer can be understood by the competition between the AFM Cr-Cr direct exchange interaction and the FM Cr-Se(Te)-Cr superexchange interaction. Tunable and attractive magnetic and electronic properties controlled by flexible strain are desirable for future nanoelectronic applications.

  13. Electron conductivity in GeTe and GeSe upon ion implantation of Bi

    SciTech Connect

    Fedorenko, Ya. G.

    2015-12-15

    This paper presents results on ion implantation of bismuth in GeTe and GeSe films. The conductivity and the thermopower of amorphous chalcogenide films are investigated. Electron conductivity in the films is attained at the Bi implantation doses higher than (1.5–2) × 10{sup 16} cm{sup −2}. In conjunction with the structural modification in the films as revealed Raman spectroscopy, the results suggest the structural re-arrangement of the amorphous network occurs via weakening the bonds of a lower energy. The onset of electron conductivity is hindered by a stronger bond in an alloy. In GeTe, this is the Ge-Ge bond.

  14. Hybrid morphology dependence of CdTe:CdSe bulk-heterojunction solar cells.

    PubMed

    Tan, Furui; Qu, Shengchun; Zhang, Weifeng; Wang, Zhanguo

    2014-01-01

    A nanocrystal thin-film solar cell operating on an exciton splitting pattern requires a highly efficient separation of electron-hole pairs and transportation of separated charges. A hybrid bulk-heterojunction (HBH) nanostructure providing a large contact area and interpenetrated charge channels is favorable to an inorganic nanocrystal solar cell with high performance. For this freshly appeared structure, here in this work, we have firstly explored the influence of hybrid morphology on the photovoltaic performance of CdTe:CdSe bulk-heterojunction solar cells with variation in CdSe nanoparticle morphology. Quantum dot (QD) or nanotetrapod (NT)-shaped CdSe nanocrystals have been employed together with CdTe NTs to construct different hybrid structures. The solar cells with the two different hybrid active layers show obvious difference in photovoltaic performance. The hybrid structure with densely packed and continuously interpenetrated two phases generates superior morphological and electrical properties for more efficient inorganic bulk-heterojunction solar cells, which could be readily realized in the NTs:QDs hybrid. This proved strategy is applicable and promising in designing other highly efficient inorganic hybrid solar cells.

  15. Thermal Stability and Anisotropic Sublimation of Two-Dimensional Colloidal Bi2Te3and Bi2Se3Nanocrystals

    NASA Astrophysics Data System (ADS)

    Buha, Joka; Gaspari, Roberto; Del Rio Castillo, Antonio Esau; Bonaccorso, Francesco; Manna, Liberato

    2016-07-01

    The structural and compositional stabilities of two dimensional 2D Bi2Te3 and Bi2Se3 nanocrystals, produced by both colloidal synthesis and by liquid phase exfoliation, were studied by in situ transmission electron microscopy TEM during annealing at temperatures between 350 and 500 C. The sublimation process induced by annealing is structurally and chemically anisotropic and takes place through the preferential dismantling of the prismatic 011-0 type planes, and through the preferential sublimation of Te or Se.

  16. Effect of vacancies on the structure and properties of Ga2(Se0.33Te0.67)3

    NASA Astrophysics Data System (ADS)

    Abdul-Jabbar, N. M.; Forrest, T. R.; Gronsky, R.; Bourret-Courchesne, E. D.; Wirth, B. D.

    2015-08-01

    Ga2(Se0.33Te0.67)3 belongs to a family of materials with large intrinsic vacancy concentrations that are being actively studied due to their potential for diverse applications that include thermoelectrics and phase-change memory. In this article, the Ga2(Se0.33Te0.67)3 structure is investigated via synchrotron x-ray diffraction, electron microscopy, and x-ray absorption experiments. Diffraction and microscopy measurements showed that the extent of vacancy ordering in Ga2(Se0.33Te0.67)3 is highly dependent on thermal annealing. It is posited that stoichiometric vacancies play a role in local atomic distortions in Ga2(Se0.33Te0.67)3 (based on the fine structure signals in the collected x-ray absorption spectra). The effect of vacancy ordering on Ga2(Se0.33Te0.67)3 material properties is also examined through band gap and Hall effect measurements, which reveal that the Ga2(Se0.33Te0.67)3 band gap redshifts by ≈0.05 eV as the vacancies order and accompanied by gains in charge carrier mobility. The results serve as an encouraging example of altering material properties via intrinsic structural rearrangement as opposed to extrinsic means, such as doping.

  17. Band-overlap metallization of BaS, BaSe and BaTe

    NASA Technical Reports Server (NTRS)

    Carlsson, A. E.; Wilkins, J. W.

    1983-01-01

    The insulator-metal transition volumes for BaS, BaSe, and BaTe are calculated for the first time, using the self-consistent augmented spherical wave technique. The metallized transition volumes are smaller than those corresponding to the NaCl yields CsCl structural transitions, but, 10 to 15% larger than those obtained by the Herzfeld dielectric theory. The calculated equilibrium energy gaps in the NaCl structure underestimate the measured ones by 50 to 60%.

  18. CdTe and CdSe quantum dots: synthesis, characterizations and applications in agriculture

    NASA Astrophysics Data System (ADS)

    Dieu Thuy Ung, Thi; Tran, Thi Kim Chi; Nga Pham, Thu; Nghia Nguyen, Duc; Khang Dinh, Duy; Liem Nguyen, Quang

    2012-12-01

    This paper highlights the results of the whole work including the synthesis of highly luminescent quantum dots (QDs), characterizations and testing applications of them in different kinds of sensors. Concretely, it presents: (i) the successful synthesis of colloidal CdTe and CdSe QDs, their core/shell structures with single- and/or double-shell made by CdS, ZnS or ZnSe/ZnS; (ii) morphology, structural and optical characterizations of the synthesized QDs; and (iii) testing examples of QDs as the fluorescence labels for agricultural-bio-medical objects (for tracing residual pesticide in agricultural products, residual clenbuterol in meat/milk and for detection of H5N1 avian influenza virus in breeding farms). Overall, the results show that the synthesized QDs have very good crystallinity, spherical shape and strongly emit at the desired wavelengths between ˜500 and 700 nm with the luminescence quantum yield (LQY) of 30-85%. These synthesized QDs were used in fabrication of the three testing fluorescence QD-based sensors for the detection of residual pesticides, clenbuterol and H5N1 avian influenza virus. The specific detection of parathion methyl (PM) pesticide at a content as low as 0.05 ppm has been realized with the biosensors made from CdTe/CdS and CdSe/ZnSe/ZnS QDs and the acetylcholinesterase (AChE) enzymes. Fluorescence resonance energy transfer (FRET)-based nanosensors using CdTe/CdS QDs conjugated with 2-amino-8-naphthol-6-sulfonic acid were fabricated that enable detection of diazotized clenbuterol at a content as low as 10 pg ml-1. For detection of H5N1 avian influenza virus, fluorescence biosensors using CdTe/CdS QDs bound on the surface of chromatophores extracted and purified from bacteria Rhodospirillum rubrum were prepared and characterized. The specific detection of H5N1 avian influenza virus in the range of 3-50 ng μl-1 with a detection limit of 3 ng μL-1 has been performed based on the antibody-antigen recognition.

  19. Size-dependent absorption properties of CdX (X = S, Se, Te) quantum dots

    NASA Astrophysics Data System (ADS)

    Yang, C. C.; Mai, Y.-W.

    2012-05-01

    A unified nanothermodynamic model was developed to study the size effects on first absorption peak energy and molar extinction coefficient of semiconductor quantum dots (QDs) based on size-dependent cohesive energy and quantum confinement effect. It is found that: (1) the first absorption peak energy increases as QD size decreases; (2) the molar extinction coefficient decreases with decreasing QD size in strong confinement regime and (3) tunable absorption properties of semiconductor QDs are caused by size-induced cohesive energy variation owing to severe bond dangling. The accuracy of the developed model was verified with experimental data of CdS, CdSe and CdTe QDs.

  20. ARPES studies on FeTe1-x Se x iron chalcogenides epitaxial thin films

    NASA Astrophysics Data System (ADS)

    Innocenti, Davide; Moreschini, Luca; Chang, Young Jun; Walter, Andrew; Bostwick, Aaron; di Castro, Daniele; Tebano, Antonello; Medaglia, Pier Gianni; Bellingeri, Emilio; Pallecchi, Ilaria; Ferdeghini, Carlo; Balestrino, Giuseppe; Rotenberg, Eli

    2011-03-01

    The physics of iron-based chalcogenides raises fundamental questions on the interplay of magnetic order and electron pairing at the origin of the superconducting state. We have performed angle-resolved photemission spectroscopy (ARPES) studies on high-quality epitaxial thin films of FeTe 1-x Se x , grown by in situ pulsed laser deposition (PLD) on beamline 7.0.1 at the ALS. Specifically, we are able to show the evolution of the band structure as a function of x. We discuss our experimental results in comparison to the available theoretical band calculations.

  1. The linear magnetoresistance from surface state of the Sb2SeTe2 topological insulator

    NASA Astrophysics Data System (ADS)

    Huang, Shiu-Ming; Yu, Shih-Hsun; Chou, Mitch

    2016-06-01

    A non-saturating linear magnetoresistance (MR) is observed in Sb2SeTe2 topological insulator. The results show that the MR slope and the critical magnetic field of the linear MR are proportional to the carrier mobility and inverse mobility, respectively. These are consistent with the prediction of a model, which is constructed by Parish and Littlewood [Nature 426, 162 (2003)], in the weak mobility fluctuation condition. The Kohler plot of the magnetoresistance does not collapse onto a single curve that supports the multi-carriers scattering mechanisms.

  2. Electronic structure and structural phase stability in BaS, BaSe, and BaTe

    NASA Astrophysics Data System (ADS)

    Kalpana, G.; Palanivel, B.; Rajagopalan, M.

    1994-11-01

    The self-consistent scalar-relativistic band structures for BaS, BaSe, and BaTe in NaCl-type and CsCl-type structures were obtained using the tight-binding linear muffin-tin orbital method. From atomic-sphere approximation (ASA) total-energy calculations the structural phase stability in these compounds has been studied. The equilibrium lattice constant for all three compounds agrees well with the experimental results. The pressures at which these compounds undergo a structural phase transition from NaCl-type to CsCl-type were calculated. The calculated pressures and volumes at transition agree well with the experimental results. The energy band gaps at ambient conditions in the NaCl-type structure and the volume dependence of band gaps in the CsCl-type structure were calculated. In addition the pressures and the volumes at which band overlap metallization occurs were also calculated and compared with experimental and other theoretical results.

  3. Thermal physics of the lead chalcogenides PbS, PbSe, and PbTe from first principles

    NASA Astrophysics Data System (ADS)

    Skelton, Jonathan M.; Parker, Stephen C.; Togo, Atsushi; Tanaka, Isao; Walsh, Aron

    2014-05-01

    The lead chalcogenides represent an important family of functional materials, in particular due to the benchmark high-temperature thermoelectric performance of PbTe. A number of recent investigations, experimental and theoretical, have aimed to gather insight into their unique lattice dynamics and electronic structure. However, the majority of first-principles modeling has been performed at fixed temperatures, and there has been no comprehensive and systematic computational study of the effect of temperature on the material properties. We report a comparative lattice-dynamics study of the temperature dependence of the properties of PbS, PbSe, and PbTe, focusing particularly on those relevant to thermoelectric performance, viz. phonon frequencies, lattice thermal conductivity, and electronic band structure. Calculations are performed within the quasiharmonic approximation, with the inclusion of phonon-phonon interactions from many-body perturbation theory, which are used to compute phonon lifetimes and predict the lattice thermal conductivity. The results are critically compared against experimental data and other calculations, and add insight to ongoing research on the PbX compounds in relation to the off-centering of Pb at high temperatures, which is shown to be related to phonon softening. The agreement with experiment suggests that this method could serve as a straightforward, powerful, and generally applicable means of investigating the temperature dependence of material properties from first principles.

  4. Electronic properties of an exciton in CdTe/CdSe/CdTe/CdSe type-II nano-heterostructure.

    PubMed

    Suseel Rahul, K; Salini, K; Mathew, Vincent

    2016-11-30

    In this study, we have carried out a detailed theoretical investigation on the binding energy of an exciton in type-II CdTe/CdSe core/shell/well/shell (CSWS) nanocrystal quantum dot (NCQD) in the strong confinement region. The calculations are based on the effective mass approximation, and the coulombic interaction between electron and hole is introduced using Hartree approximation. With these theoretical basis, the coupled Poisson-Schrodinger equations are solved in a self consistent iterative manner. In strong confinement regime, the binding energy variation with core radius in type-II NCQD shows a peak. And this peak widens for larger well width and inner shell thickness. Our study suggests that, this anomalous behavior of exciton binding energy is due to an effect called 'positional flip of exciton', caused by the faster tunneling of hole to the inner layer in comparison with electron. Our results can be applied in laser and optoelectronic engineering for designing more efficient optoelectronic devices. PMID:27662525

  5. Electronic properties of an exciton in CdTe/CdSe/CdTe/CdSe type-II nano-heterostructure

    NASA Astrophysics Data System (ADS)

    Suseel Rahul, K.; Salini, K.; Mathew, Vincent

    2016-11-01

    In this study, we have carried out a detailed theoretical investigation on the binding energy of an exciton in type-II CdTe/CdSe core/shell/well/shell (CSWS) nanocrystal quantum dot (NCQD) in the strong confinement region. The calculations are based on the effective mass approximation, and the coulombic interaction between electron and hole is introduced using Hartree approximation. With these theoretical basis, the coupled Poisson-Schrodinger equations are solved in a self consistent iterative manner. In strong confinement regime, the binding energy variation with core radius in type-II NCQD shows a peak. And this peak widens for larger well width and inner shell thickness. Our study suggests that, this anomalous behavior of exciton binding energy is due to an effect called ‘positional flip of exciton’, caused by the faster tunneling of hole to the inner layer in comparison with electron. Our results can be applied in laser and optoelectronic engineering for designing more efficient optoelectronic devices.

  6. Neutron Scattering Study of Low Energy Magnetic Excitation in superconducting Te-vapor annealed under-doped FeTeSe

    NASA Astrophysics Data System (ADS)

    Xu, Zhijun; Yi, Ming; Xu, Guangyong; Shneeloch, J. A.; Matsuda, Masaaki; Chi, Songxue; Gu, Genda; Tranquada, J. M.; Birgeneau, R. J.

    To study the interplay between magnetism and superconductivity, we have performed neutron scattering and magnetization measurements on a Te vapor annealed single crystal Fe1 +yTe0.8Se0.2 (Tc~13K) sample. Te vapor annealed process is found to reduce/remove the excess Fe in the as-grown sample and make the under-doped originally non-superconducting sample become good superconducting sample. Our neutron scattering studies show both spin gap and spin resonance found in the Te vapor annealed superconducting sample. Comparing to commensurate spin resonance in as-grown optimal-doped sample, the spin resonance of Te annealed sample only shows up at the clearly incommensurate positions. The temperature and energy dependence of low energy magnetic excitations are also measured in the sample. This work is supported by the Office of Basic Energy Sciences, DOE.

  7. Modelling potential photovoltaic absorbers Cu3MCh4(M = V, Nb, Ta; Ch = S, Se, Te) using density functional theory.

    PubMed

    Kehoe, Aoife B; Scanlon, David O; Watson, Graeme W

    2016-05-01

    The geometric and electronic properties of a series of potential photovoltaic materials, the sulvanite structured Cu3MCh4(M = V, Nb, Ta; Ch = S, Se, Te), have been computationally examined using both PBEsol+U and HSE06 methods to assess the materials' suitability for solar cell application and to compare the predictions of the two theoretical approaches. The lattice parameters, electronic density of states, and band gaps of the compounds have been calculated to ascertain the experimental agreement obtained by each method and to determine if any of the systems have an optical band gap appropriate for photovoltaic absorber materials. The PBEsol+U results are shown to achieve better agreement with experiment than HSE06 in terms of both lattice constants and band gaps, demonstrating that higher level theoretical methods do not automatically result in a greater level of accuracy than their computationally less expensive counterparts. The PBEsol+U calculated optical band gaps of five materials suggest potential suitability as photovoltaic absorbers, with values of 1.72 eV, 1.49 eV, 1.19 eV, 1.46 eV, and 1.69 eV for Cu3VS4, Cu3VSe4, Cu3VTe4, Cu3NbTe4, and Cu3TaTe4, respectively, although it should be noted that all fundamental band gaps are indirect in nature, which could lower the open-circuit voltage and hence the efficiency of prospective devices. PMID:27033972

  8. Time-resolved photoluminescence of type-II quantum dots and isoelectronic centers in Zn-Se-Te superlattice structures

    NASA Astrophysics Data System (ADS)

    Cheung, M. C.-K.; Cartwright, A. N.; Sellers, I. R.; McCombe, B. D.; Kuskovsky, I. L.

    2008-01-01

    Spectrally and time-resolved photoluminescence of a ZnTe /ZnSe superlattice reveals a smooth transition of the photoluminescence (PL) lifetime from ˜100ns at 2.35eV to less than a few nanoseconds at 2.8eV. The significant increase of the lifetime in the low energy region is strong evidence to support the formation of type-II quantum dots (QDs), since in these nanostructures the spatial separation of carriers is increased. The shorter lived emission above 2.5eV is attributed to excitons bound to Te isoelectronic centers in the ZnSe matrix. The smooth transition of the PL lifetime confirms that clusters of these Te atoms evolve into type-II ZnTe /ZnSe QDs.

  9. Rich structural chemistry in scandium selenium/tellurium oxides: mixed-valent selenite-selenates, Sc2(SeO3)2(SeO4) and Sc2(TeO3)(SeO3)(SeO4), and ternary tellurite, Sc2(TeO3)3.

    PubMed

    Song, Seung Yoon; Lee, Dong Woo; Ok, Kang Min

    2014-07-01

    Both single crystals and pure bulk phases of three new scandium selenium/tellurium oxides, Sc2(SeO3)2(SeO4), Sc2(TeO3)(SeO3)(SeO4), and Sc2(TeO3)3, have been synthesized through hydrothermal and solid-state reactions. X-ray diffractions were used to determine the structures and confirm the phase purities of the reported materials. Isostructural Sc2(SeO3)2(SeO4) and Sc2(TeO3)(SeO3)(SeO4) reveal three-dimensional frameworks with ScO7 pentagonal bipyramids, SeO3 (and TeO3) trigonal pyramids, and SeO4 tetrahedra. A novel ternary scandium tellurite, Sc2(TeO3)3, also shows a three-dimensional framework that is composed of ScO6 octahedra, ScO7-capped octahedra, and TeO3 trigonal pyramids. All three materials accommodate local asymmetric coordination moieties owing to the lone pairs on Se(4+) and Te(4+) cations. The effect of coordination environments of constituent cations on the frameworks, dimensionalities, and centricities of products is discussed. Thorough characterizations including elemental analyses, infrared and UV-vis diffuse reflectance spectroscopies, thermal analyses, and dipole moment calculations for the reported materials are reported. Crystal data: Sc2(SeO3)2(SeO4), monoclinic, space group P21/c (No. 14), a = 6.5294(2) Å, b = 10.8557(4) Å, c = 12.6281(6) Å, β = 103.543(3)°, V = 870.21(6) Å(3), and Z = 4; Sc2(TeO3)(SeO3)(SeO4), monoclinic, space group P21/c (No. 14), a = 6.5345(12) Å, b = 10.970(2) Å, c = 12.559(2) Å, β = 102.699(10)°, V = 878.3(6) Å(3), and Z = 4; Sc2(TeO3)3, monoclinic, space group P21/n (No. 14), a = 5.2345(3) Å, b = 24.3958(15) Å, c = 6.8636(4) Å, β = 106.948(2)°, V = 838.42(9) Å(3), and Z = 4.

  10. Temperature dependent EXAFS study on transition metal dichalcogenides MoX2 (X  =  S, Se, Te).

    PubMed

    Caramazza, S; Marini, C; Simonelli, L; Dore, P; Postorino, P

    2016-08-17

    The local structure of molybdenum dichalcogenide MoX2 (X  =  S, Se, Te) single crystal has been studied by means of multi-edge (Mo, Se, and Te K-edges) extended x-ray absorption fine-structure spectroscopy as function of temperature. The temperature dependences of the interatomic distances Mo-X, Mo-Mo and X-X (X  =  S, Se, and Te) and of the corresponding Debye-Waller factors have been extracted over the 70-500 K temperature range. Exploiting the correlated Einstein model, we found that the Einstein frequencies of Mo-X and X-X bonds obtained by present data are in close agreement with the frequencies of the optical (Raman and infrared) stretching modes for both MoS2 and MoSe2, whereas a significant deviation has been found for MoTe2. A similar anomaly has been found for the force constants related to the Mo-X bonds in the MoTe2 case. Our findings, accordingly with the results reported in a recent theoretical paper, support the idea that the optical vibrational modes have a dominant role in MoS2 and MoSe2, whereas the effects of acoustic vibrational modes cannot be neglected in the case of MoTe2. PMID:27345937

  11. Temperature dependent EXAFS study on transition metal dichalcogenides MoX2 (X  =  S, Se, Te).

    PubMed

    Caramazza, S; Marini, C; Simonelli, L; Dore, P; Postorino, P

    2016-08-17

    The local structure of molybdenum dichalcogenide MoX2 (X  =  S, Se, Te) single crystal has been studied by means of multi-edge (Mo, Se, and Te K-edges) extended x-ray absorption fine-structure spectroscopy as function of temperature. The temperature dependences of the interatomic distances Mo-X, Mo-Mo and X-X (X  =  S, Se, and Te) and of the corresponding Debye-Waller factors have been extracted over the 70-500 K temperature range. Exploiting the correlated Einstein model, we found that the Einstein frequencies of Mo-X and X-X bonds obtained by present data are in close agreement with the frequencies of the optical (Raman and infrared) stretching modes for both MoS2 and MoSe2, whereas a significant deviation has been found for MoTe2. A similar anomaly has been found for the force constants related to the Mo-X bonds in the MoTe2 case. Our findings, accordingly with the results reported in a recent theoretical paper, support the idea that the optical vibrational modes have a dominant role in MoS2 and MoSe2, whereas the effects of acoustic vibrational modes cannot be neglected in the case of MoTe2.

  12. Temperature dependent EXAFS study on transition metal dichalcogenides MoX2 (X  =  S, Se, Te)

    NASA Astrophysics Data System (ADS)

    Caramazza, S.; Marini, C.; Simonelli, L.; Dore, P.; Postorino, P.

    2016-08-01

    The local structure of molybdenum dichalcogenide MoX2 (X  =  S, Se, Te) single crystal has been studied by means of multi-edge (Mo, Se, and Te K-edges) extended x-ray absorption fine-structure spectroscopy as function of temperature. The temperature dependences of the interatomic distances Mo-X, Mo-Mo and X-X (X  =  S, Se, and Te) and of the corresponding Debye-Waller factors have been extracted over the 70-500 K temperature range. Exploiting the correlated Einstein model, we found that the Einstein frequencies of Mo-X and X-X bonds obtained by present data are in close agreement with the frequencies of the optical (Raman and infrared) stretching modes for both MoS2 and MoSe2, whereas a significant deviation has been found for MoTe2. A similar anomaly has been found for the force constants related to the Mo-X bonds in the MoTe2 case. Our findings, accordingly with the results reported in a recent theoretical paper, support the idea that the optical vibrational modes have a dominant role in MoS2 and MoSe2, whereas the effects of acoustic vibrational modes cannot be neglected in the case of MoTe2.

  13. Temperature dependent EXAFS study on transition metal dichalcogenides MoX2 (X  =  S, Se, Te)

    NASA Astrophysics Data System (ADS)

    Caramazza, S.; Marini, C.; Simonelli, L.; Dore, P.; Postorino, P.

    2016-08-01

    The local structure of molybdenum dichalcogenide MoX2 (X  =  S, Se, Te) single crystal has been studied by means of multi-edge (Mo, Se, and Te K-edges) extended x-ray absorption fine-structure spectroscopy as function of temperature. The temperature dependences of the interatomic distances Mo–X, Mo–Mo and X–X (X  =  S, Se, and Te) and of the corresponding Debye–Waller factors have been extracted over the 70–500 K temperature range. Exploiting the correlated Einstein model, we found that the Einstein frequencies of Mo–X and X–X bonds obtained by present data are in close agreement with the frequencies of the optical (Raman and infrared) stretching modes for both MoS2 and MoSe2, whereas a significant deviation has been found for MoTe2. A similar anomaly has been found for the force constants related to the Mo–X bonds in the MoTe2 case. Our findings, accordingly with the results reported in a recent theoretical paper, support the idea that the optical vibrational modes have a dominant role in MoS2 and MoSe2, whereas the effects of acoustic vibrational modes cannot be neglected in the case of MoTe2.

  14. Structural inhomogeneities in FeTe0.6Se0.4: Relation to superconductivity

    NASA Astrophysics Data System (ADS)

    Prokeš, K.; Schulze, M.; Hartwig, S.; Schäfer, N.; Landsgesell, S.; Blum, C. G. F.; Abou-Ras, D.; Hacisalihoglu, M. Y.; Ressouche, E.; Ouladdiaf, B.; Büchner, B.; Wurmehl, S.

    2015-12-01

    Chemical and structural phase compositions of two single-crystalline samples prepared with different cooling rates from stoichiometric FeTe0.6Se0.4 melts were studied. Both types of samples were investigated in a very comprehensive way using magnetic and electrical transport measurements combined with X-ray, neutron and electron backscatter diffraction. We show that slowly cooled samples are homogeneous on a microscopic scale with only a small excess of iron. Those slowly cooled samples do not exhibit bulk superconductivity down to 1.8 K. In contrast, fast-cooled samples are superconducting below about 14 K but are composed of several chemical phases: they consist of a matrix preserving the crystal structure of slow-cooled samples, and of core-shell structured dendritic inclusions (about 20-30 vol%). These have different crystal structures and chemical compositions and order magnetically at temperatures far above the superconducting transition temperature of the inhomogeneous samples. These structural and chemical inhomogeneities seem to play a vital role in the superconducting properties of this and similar iron-based systems as they lead to internal stress and act in a similar way as the application of the external pressure that reportedly increase the superconducting transition temperature in many iron pnictides and chalcogenides. We argue that a phase pure, homogeneous and stress-free FeTe0.6Se0.4 is non-superconducting.

  15. Assessing the anticancer compounds Se-methylselenocysteine and glucosinolates in Se-biofortified broccoli (brassica oleracea L. var. italica) sprouts and florets

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Broccoli (Brassica oleracea L. var. italica) is a rich source of chemopreventive compounds. Here, we evaluated and compared the effect of selenium (Se) treatment on the accumulation of anticancer compound Se-methylselenocysteine (SeMSCys) and glucosinolates in broccoli sprouts and florets. Total Se ...

  16. Upper critical field and AC-Susceptibility studies on FeTe0.5Se0.5 superconductor

    NASA Astrophysics Data System (ADS)

    Zargar, Rayees A.; Pal, Anand; Hafiz, A. K.; Awana, V. P. S.

    2015-06-01

    In this study we present synthesis and characterization of FeTe0.5Se0.5 sample that has been prepared by solid state reaction route by encapsulation of stoichiometric high purity (5N) ingredients in an evacuated quartz tube at 750 °C. The resultant compound is crystallized in single phase tetragonal structure with space group P4/nmm, having lattice parameters a = 3.792(1) Å and c = 6.0081(3) Å. The studied compound is superconducting at below 13K in both magnetic and transport measurements. Further superconductivity is barely affected by external applied magnetic field, giving rise to upper critical field of above 180 Tesla at 0 K. The sample is studied extensively for AC susceptibility measurements in superconducting state. The AC drive field and frequency are varied from 1-13 Oe and 33-9999 Hz respectively. It is concluded that though the grain boundaries of this superconductor are mainly metallic the minor (undetectable in XRD) foreign phases and the role of porosity cannot be ruled out completely. This is because both frequency and amplitude affects slightly the superconductivity coupling temperature of the grains.

  17. Structural, elastic, electronic and optical properties of KAlQ2 (Q = Se, Te): A DFT study

    NASA Astrophysics Data System (ADS)

    Benmakhlouf, A.; Bentabet, A.; Bouhemadou, A.; Maabed, S.; Khenata, R.; Bin-Omran, S.

    2015-10-01

    First-principles calculations in the framework of density functional theory have been conducted to explore the structural, elastic, electronic and optical properties of two layered ternary compounds chalcogenides of aluminum KAlSe2 and KAlTe2. We have calculated all of the equilibrium structural parameters; the lattice parameters (a, b and c), angle β and twenty three internal atomic coordinates. The obtained results are in excellent agreement with the available experimental data. We have predicted the single-crystal elastic constants Cij of the title materials using stress-strain approach and then derived the elastic moduli of the polycrystalline aggregates and related properties via the Voigt-Reuss-Hill approximations. The band structure and density of states diagrams have been calculated and analyzed. Both compounds demonstrate semiconducting behavior with direct band gap. The linear optical properties, namely the frequency-dependent dielectric function, absorption coefficient, refractive index, extinction coefficient, reflectivity and energy-loss function, have been calculated and analyzed in a wide energy range up to 20 eV.

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

    PubMed

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

    2015-11-01

    (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. PMID:26465820

  19. Growth of Lattice-Matched ZnTeSe Alloys on (100) and (211)B GaSb

    NASA Astrophysics Data System (ADS)

    Chai, J.; Lee, K.-K.; Doyle, K.; Dinan, J. H.; Myers, T. H.

    2012-10-01

    A key issue with the current HgCdTe/Si system is the high dislocation density due to the large mismatch between HgCdTe and Si. An alternative system that has superior lattice matching is HgCdSe/GaSb. A buffer layer to mitigate issues with direct nucleation of HgCdSe on GaSb is ZnTe1- x Se x . We have performed preliminary studies into the growth of lattice-matched ZnTe1- x Se x on both (100) and (211)B GaSb. The effects of substrate orientation, substrate temperature, and growth conditions on the morphology and crystallography of ZnTe0.99Se0.01 alloys were investigated. The lattice-matching condition yielded minimum root-mean-square (rms) roughness of 1.1 nm, x-ray rocking curve full-width at half-maximum (FWHM) value of ~29 arcsec, and density of nonradiative defects of mid-105 cm-2 as measured by imaging photoluminescence.

  20. Kinetic limitation of chemical ordering in Bi2Te3-x Se x layers grown by molecular beam epitaxy.

    PubMed

    Schreyeck, S; Brunner, K; Kirchner, A; Bass, U; Grauer, S; Schumacher, C; Gould, C; Karczewski, G; Geurts, J; Molenkamp, L W

    2016-04-13

    We study the chemical ordering in Bi2Te3-x Se x grown by molecular beam epitaxy on Si substrates. We produce films in the full composition range from x = 0 to 3, and determine their material properties using energy dispersive x-ray spectroscopy, x-ray diffraction and Raman spectroscopy. By fitting the parameters of a kinetic growth model to these results, we obtain a consistent description of growth at a microscopic level. Our main finding is that despite the incorporation of Se in the central layer being much more probable than that of Te, the formation of a fully ordered Te-Bi-Se-Bi-Te layer is prevented by kinetic of the growth process. Indeed, the Se concentration in the central layer of Bi2Te2Se1 reaches a maximum of only ≈ 75% even under ideal growth conditions. A second finding of our work is that the intensity ratio of the 0 0 12 and 0 0 6 x-ray reflections serves as an experimentally accessible quantitative measure of the degree of ordering in these films.

  1. Study of optical properties of vacuum evaporated carbon nanotube containing Se80Te16Cu4 thin films

    NASA Astrophysics Data System (ADS)

    Upadhyay, A. N.; Tiwari, R. S.; Singh, Kedar

    2016-08-01

    Thin films of Se80Te16Cu4 glassy alloy and 3 wt.% of carbon nanotubes (CNTs) containing Se80Te16Cu4 glassy composite were deposited on clean glass substrate by thermal evaporation technique. The scanning electron microscope and energy dispersive x-ray analysis were performed to investigate the surface morphology and elemental composition of as synthesised samples. The reflectance and transmittance spectra of as-deposited thin films were recorded (200-1100 nm) by using UV/VIS/NIR spectrophotometer. The optical band gap and optical constants such as absorption coefficient (α), refractive index (n) and extinction coefficient (k) of Se80Te16Cu4 and 3 wt.% CNTs-Se80Te16Cu4 glassy composite thin films were calculated. It is observed that optical properties alter due to CNTs incorporation in Se80Te16Cu4 glassy alloy. Effect on optical properties due to CNTs incorporation can be explained in terms of concentration of unsaturated bonds/defects in the localised states.

  2. Study of optical properties of vacuum evaporated carbon nanotube containing Se80Te16Cu4 thin films

    NASA Astrophysics Data System (ADS)

    Upadhyay, A. N.; Tiwari, R. S.; Singh, Kedar

    2016-08-01

    Thin films of Se80Te16Cu4 glassy alloy and 3 wt.% of carbon nanotubes (CNTs) containing Se80Te16Cu4 glassy composite were deposited on clean glass substrate by thermal evaporation technique. The scanning electron microscope and energy dispersive x-ray analysis were performed to investigate the surface morphology and elemental composition of as synthesised samples. The reflectance and transmittance spectra of as-deposited thin films were recorded (200–1100 nm) by using UV/VIS/NIR spectrophotometer. The optical band gap and optical constants such as absorption coefficient (α), refractive index (n) and extinction coefficient (k) of Se80Te16Cu4 and 3 wt.% CNTs–Se80Te16Cu4 glassy composite thin films were calculated. It is observed that optical properties alter due to CNTs incorporation in Se80Te16Cu4 glassy alloy. Effect on optical properties due to CNTs incorporation can be explained in terms of concentration of unsaturated bonds/defects in the localised states.

  3. Kinetic limitation of chemical ordering in Bi2Te3-x Se x layers grown by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Schreyeck, S.; Brunner, K.; Kirchner, A.; Bass, U.; Grauer, S.; Schumacher, C.; Gould, C.; Karczewski, G.; Geurts, J.; Molenkamp, L. W.

    2016-04-01

    We study the chemical ordering in Bi2Te3-x Se x grown by molecular beam epitaxy on Si substrates. We produce films in the full composition range from x  =  0 to 3, and determine their material properties using energy dispersive x-ray spectroscopy, x-ray diffraction and Raman spectroscopy. By fitting the parameters of a kinetic growth model to these results, we obtain a consistent description of growth at a microscopic level. Our main finding is that despite the incorporation of Se in the central layer being much more probable than that of Te, the formation of a fully ordered Te-Bi-Se-Bi-Te layer is prevented by kinetic of the growth process. Indeed, the Se concentration in the central layer of Bi2Te2Se1 reaches a maximum of only  ≈75% even under ideal growth conditions. A second finding of our work is that the intensity ratio of the 0 0 12 and 0 0 6 x-ray reflections serves as an experimentally accessible quantitative measure of the degree of ordering in these films.

  4. Crystal Growth of ZnSe and Related Ternary Compound Semiconductors by Vapor Transport in Low Gravity

    NASA Technical Reports Server (NTRS)

    Su, Ching-Hua; Ramachandran, N.

    2013-01-01

    Crystals of ZnSe and related ternary compounds, such as ZnSeS and ZnSeTe, will be grown by physical vapor transport in the Material Science Research Rack (MSRR) on International Space Station (ISS). The objective of the project is to determine the relative contributions of gravity-driven fluid flows to the compositional distribution, incorporation of impurities and defects, and deviation from stoichiometry observed in the crystals grown by vapor transport as results of buoyance-driven convection and growth interface fluctuations caused by irregular fluid-flows on Earth. The investigation consists of extensive ground-based experimental and theoretical research efforts and concurrent flight experimentation. The objectives of the ground-based studies are (1) obtain the experimental data and conduct the analyses required to define the optimum growth parameters for the flight experiments, (2) perfect various characterization techniques to establish the standard procedure for material characterization, (3) quantitatively establish the characteristics of the crystals grown on Earth as a basis for subsequent comparative evaluations of the crystals grown in a low-gravity environment and (4) develop theoretical and analytical methods required for such evaluations. ZnSe and related ternary compounds have been grown by vapor transport technique with real time in-situ non-invasive monitoring techniques. The grown crystals have been characterized extensively by various techniques to correlate the grown crystal properties with the growth conditions.

  5. Investigation of the third-order nonlinear property of Ge-Se-Te glasses at mid-infrared

    NASA Astrophysics Data System (ADS)

    Sun, Lihong; Chen, Feifei; Xu, Yinsheng; Huang, Yicong; Liu, Shuo; Zhao, Zheming; Wang, Xunsi; Zhang, Peiqing; Dai, Shixun; Zhang, Xianghua

    2016-09-01

    In this study, a series of Ge20Te x Se(80- x) ( x = 0, 5, 10, 20, 30, 60, 70) chalcogenide glasses were prepared using conventional melt-quenching technique. Through absorption spectra analysis, the optical Tauc gaps were derived in detail along the increase in the Te content which can be supported by structural changing of glass network shown by Raman spectra. The third-order optical nonlinearity of the glasses at mid-infrared wavelength of 3.1 μm was investigated by traditional Z-scan method. The nonlinear refractive index of the glasses increased with the increase in the Te content, typically the measured nonlinear refractive index of Ge20Se50Te30 glass increased to 8.2 ± 1.2 × 10-18 m2/W. The relationship between the nonlinear refractive index and the optical band gap was analyzed.

  6. AC conductivity and Dielectric Study of Chalcogenide Glasses of Se-Te-Ge System

    NASA Astrophysics Data System (ADS)

    Salman, Fathy

    2004-01-01

    The ac conductivity and dielectric properties of glassy system SexTe79 - xGe21, with x = 11, 14, 17 at.%, has been studied at temperatures 300 to 450 K and over a wide range of frequencies (50 Hz to 500 kHz). Experimental results indicate that the ac conductivity and the dielectric constants depend on temperature, frequency and Se content. The conductivity as a function of frequency exhibited two components: dc conductivity s dc, and ac conductivity s ac, where s ac ˜ w s. The mechanism of ac conductivity can be reasonably interpreted in terms of the correlated barrier hopping model (CBH). The activation energies are estimated and discussed. The dependence of ac conductivity and dielectric constants on the Se content x can be interpreted as the effect of Se fraction on the positional disorder. The impedance plot at each temperature appeared as a semicircle passes through the origin. Each semicircle is represented by an equivalent circuit of parallel resistance Rb and capacitance Cb.

  7. Observation of amorphous to crystalline phase transformation in Te substituted Sn-Sb-Se thin films

    SciTech Connect

    Chander, Ravi

    2015-05-15

    Thin films of Sn-Sb-Se-Te (8 ≤ x ≤ 14) chalcogenide system were prepared by thermal evaporation technique using melt quenched bulk samples. The as-prepared thin films were found amorphous as evidenced from X-ray diffraction studies. Resistivity measurement showed an exponential decrease with temperature upto critical temperature (transition temperature) beyond which a sharp decrease was observed and with further increase in temperature showed an exponential decrease in resistivity with different activation energy. The transition temperature showed a decreasing trend with tellurium content in the sample. The resistivity measurement during cooling run showed no abrupt change in resistivity. The resistivity measurements of annealed films did not show any abrupt change revealing the structural transformation occurring in the material. The transition width showed an increase with tellurium content in the sample. The resistivity ratio showed two order of magnitude improvements for sample with higher tellurium content. The observed transition temperature in this system was found quite less than already commercialized Ge-Sb-Te system for optical and electronic memories.

  8. Surface oxidation effect on the electrical behaviour of Bi2Te2Se nanoplatelets.

    PubMed

    Gehring, Pascal; Reusch, Frieder B; Mashhadi, Soudabeh S; Burghard, Marko; Kern, Klaus

    2016-07-15

    Charge transport in topological insulators is notably influenced by moisture and air in the surrounding environment. At present, however, little is known about the detailed composition of the oxidized surface and its impact on the electrical characteristics of these materials. Here, we investigate the surface oxide formation on the topological insulator Bi2Te2Se (BTS) and how this affects its electrical behavior. While ambient exposure of BTS nanoplatelets predominantly creates surface hydroxyl groups, oxygen plasma treatment yields a compact, few-nanometer thick surface oxide layer. The plasma causes p-type doping, accompanied by a decrease of the effective platelet thickness, the interplay of which is manifested in a resistance maximum as a function of plasma treatment time. It is furthermore demonstrated that the structural integrity of the plasma-derived surface oxide is sufficient to enable its use as a gate insulator layer in combination with a top gate.

  9. CdTe and CdSe Quantum Dots Cytotoxicity: A Comparative Study on Microorganisms

    PubMed Central

    Gomes, Suzete A.O.; Vieira, Cecilia Stahl; Almeida, Diogo B.; Santos-Mallet, Jacenir R.; Menna-Barreto, Rubem F. S.; Cesar, Carlos L.; Feder, Denise

    2011-01-01

    Quantum dots (QDs) are colloidal semiconductor nanocrystals of a few nanometers in diameter, being their size and shape controlled during the synthesis. They are synthesized from atoms of group II–VI or III–V of the periodic table, such as cadmium telluride (CdTe) or cadmium selenium (CdSe) forming nanoparticles with fluorescent characteristics superior to current fluorophores. The excellent optical characteristics of quantum dots make them applied widely in the field of life sciences. Cellular uptake of QDs, location and translocation as well as any biological consequence, such as cytotoxicity, stimulated a lot of scientific research in this area. Several studies pointed to the cytotoxic effect against micoorganisms. In this mini-review, we overviewed the synthesis and optical properties of QDs, and its advantages and bioapplications in the studies about microorganisms such as protozoa, bacteria, fungi and virus. PMID:22247686

  10. Switching phenomenon in a Se{70}Te{30-x}Cd{x} films

    NASA Astrophysics Data System (ADS)

    Afifi, M. A.; Bekheet, A. E.; Hegab, N. A.; Wahab, L. A.; Shehata, H. A.

    2007-11-01

    Amorphous Se{70}Te{30-x}Cd{x} (x = 0, 10) are obtained by thermal evaporation under vacuum of bulk materials on pyrographite and glass substrates. The I-V characteristic curves for the two film compositions are typical for a memory switch. They exhibited a transition from an ohmic region in the lower field followed by non-ohmic region in the high field region in the preswitching region, which has been explained by the Poole-Frenkel effect. The temperature dependence of current in the ohmic region is found to be of thermally activated process. The mean value of the threshold voltage bar{V}th increases linearly with increasing film thickness in the thickness range (100 491 nm), while it decreases exponentially with increasing temperature in the temperature range (293 343 K) for both compositions. The results are explained in accordance with the electrothermal model for the switching process. The effect of Cd on these parameters is also investigated.

  11. Surface oxidation effect on the electrical behaviour of Bi2Te2Se nanoplatelets.

    PubMed

    Gehring, Pascal; Reusch, Frieder B; Mashhadi, Soudabeh S; Burghard, Marko; Kern, Klaus

    2016-07-15

    Charge transport in topological insulators is notably influenced by moisture and air in the surrounding environment. At present, however, little is known about the detailed composition of the oxidized surface and its impact on the electrical characteristics of these materials. Here, we investigate the surface oxide formation on the topological insulator Bi2Te2Se (BTS) and how this affects its electrical behavior. While ambient exposure of BTS nanoplatelets predominantly creates surface hydroxyl groups, oxygen plasma treatment yields a compact, few-nanometer thick surface oxide layer. The plasma causes p-type doping, accompanied by a decrease of the effective platelet thickness, the interplay of which is manifested in a resistance maximum as a function of plasma treatment time. It is furthermore demonstrated that the structural integrity of the plasma-derived surface oxide is sufficient to enable its use as a gate insulator layer in combination with a top gate. PMID:27257792

  12. Impact of Pb content on the physical parameters of Se-Te-Pb system

    SciTech Connect

    Anjali,; Sharma, Raman; Thakur, Nagesh; Patial, Balbir Singh; Tripathi, S. K.

    2015-05-15

    In the present study, we have investigated the impact of Pb content on the physical parameters in Se-Te-Pb system via average coordination number, constraints, the fraction of floppy modes, cross-linking density, lone pairs electrons, heat of atomization, mean bond energy, cohesive energy and electronegativity. The bulk samples have been prepared by using melt quenching technique. X-ray diffraction pattern of various samples indicates the amorphous nature of investigated glassy alloys. It is observed that average coordination number, average number of constraints and cross-linking density increase with Pb content. However, lone-pair electrons, floppy modes, average heat of atomization, cohesive energy and mean bond energy are found to decrease with Pb atomic percentage.

  13. Surface oxidation effect on the electrical behaviour of Bi2Te2Se nanoplatelets

    NASA Astrophysics Data System (ADS)

    Gehring, Pascal; Reusch, Frieder B.; Mashhadi, Soudabeh S.; Burghard, Marko; Kern, Klaus

    2016-07-01

    Charge transport in topological insulators is notably influenced by moisture and air in the surrounding environment. At present, however, little is known about the detailed composition of the oxidized surface and its impact on the electrical characteristics of these materials. Here, we investigate the surface oxide formation on the topological insulator Bi2Te2Se (BTS) and how this affects its electrical behavior. While ambient exposure of BTS nanoplatelets predominantly creates surface hydroxyl groups, oxygen plasma treatment yields a compact, few-nanometer thick surface oxide layer. The plasma causes p-type doping, accompanied by a decrease of the effective platelet thickness, the interplay of which is manifested in a resistance maximum as a function of plasma treatment time. It is furthermore demonstrated that the structural integrity of the plasma-derived surface oxide is sufficient to enable its use as a gate insulator layer in combination with a top gate.

  14. Quantized steps and topological nature of universal conductance fluctuation in Bi2Te2Se

    NASA Astrophysics Data System (ADS)

    Song, Fengqi

    Here we report the experimental observation of universal conductance fluctuations (UCF) in Bi2Te2Se. Four aspects were addressed to support the UCF's topological nature of the electronic state. i) The irregular fluctuations are repeatable in different temperature and reversal magnetic fields. ii) All the UCF features coincide after the field is normalized to the perpendicular direction. This points to a two-dimensional electronic state. iii) A parallel field is applied to suppress the bulk coherent paths, while the UCF features stays similar. This excludes a quasi-2D bulk state. iv). The intrinsic UCF magnitude is extracted, which is close to the predicted values of a topological surface state. v). Quantized steps of the UCF magnitudes are observed when the magnetic field is modulated. (Sci.Rep. 2012, 2,595; Appl. Phys. Expre. 2014,7,065202; arxiv 2015)

  15. Optical studies of SnTe xSe 1-x sintered films

    NASA Astrophysics Data System (ADS)

    Saini, R. K.; Kumar, R.; Jain, Garima

    2009-12-01

    Large scale applications are based on the economical polycrystalline material prepared by convenient, reproducible and commercially viable methods. Polycrystalline sintered films of SnTe xSe 1-x were deposited on glass substrate by screen printing technique. The optical and structural studies of the films were carried out by UV-Vis-NIR spectrophotometer and X-ray diffraction, respectively. The films were polycrystalline in nature with the average grain size 27.77 nm. The solid solution shows a change from orthorhombic to cubic in structure. The energy band gap of the films was determined using absorption spectra. It was found to vary with composition from 1.02 to 0.35 eV.

  16. Microwave synthesis of CdSe and CdTe nanocrystals in nonabsorbing alkanes.

    PubMed

    Washington, Aaron L; Strouse, Geoffrey F

    2008-07-16

    Controlling nanomaterial growth via the "specific microwave effect" can be achieved by selective heating of the chalcogenide precursor. The high polarizability of the precursor allows instantaneous activation and subsequent nucleation leading to the synthesis of CdSe and CdTe in nonmicrowave absorbing alkane solvents. Regardless of the desired size, narrow dispersity nanocrystals can be isolated in less than 3 min with high quantum efficiencies and elliptical morphologies. The reaction does not require a high temperature injection step, and the alkane solvent can be easily removed. In addition, batch-to-batch variance in size is 4.2 +/- 0.14 nm for 10 repeat experimental runs. The use of a stopped-flow reactor allows near continuous automation of the process leading to potential industrial benefits.

  17. Microwave synthesis of CdSe and CdTe nanocrystals in nonabsorbing alkanes.

    PubMed

    Washington, Aaron L; Strouse, Geoffrey F

    2008-07-16

    Controlling nanomaterial growth via the "specific microwave effect" can be achieved by selective heating of the chalcogenide precursor. The high polarizability of the precursor allows instantaneous activation and subsequent nucleation leading to the synthesis of CdSe and CdTe in nonmicrowave absorbing alkane solvents. Regardless of the desired size, narrow dispersity nanocrystals can be isolated in less than 3 min with high quantum efficiencies and elliptical morphologies. The reaction does not require a high temperature injection step, and the alkane solvent can be easily removed. In addition, batch-to-batch variance in size is 4.2 +/- 0.14 nm for 10 repeat experimental runs. The use of a stopped-flow reactor allows near continuous automation of the process leading to potential industrial benefits. PMID:18576624

  18. Te-As-Se glass microstructured optical fiber for the middle infrared

    SciTech Connect

    Desevedavy, Frederic; Renversez, Gilles; Troles, Johann; Brilland, Laurent; Houizot, Patrick; Coulombier, Quentin; Smektala, Frederic; Traynor, Nicholas; Adam, Jean-Luc

    2009-07-01

    We present the first fabrication, to the best of our knowledge, of chalcogenide microstructured optical fibers in Te-As-Se glass, their optical characterization, and numerical simulations in the middle infrared. In a first fiber, numerical simulations exhibit a single-mode behavior at 3.39 and 9.3 {mu}m, in good agreement with experimental near-field captures at 9.3 {mu}m. The second fiber is not monomode between 3.39 and 9.3 {mu}m, but the fundamental losses are 9 dB/m at 3.39 {mu}m and 6 dB/m at 9.3 {mu}m. The experimental mode field diameters are compared to the theoretical ones with a good accordance.

  19. N-type Doped PbTe and PbSe Alloys for Thermoelectric Applications

    NASA Technical Reports Server (NTRS)

    Snyder, G. Jeffrey (Inventor); LaLonde, Aaron (Inventor); Pei, Yanzhong (Inventor); Wang, Heng (Inventor)

    2014-01-01

    The present invention demonstrates that weak scattering of carriers leads to a high mobility and therefore helps achieve low electric resistivity with high Seebeck coefficient for a thermoelectric material. The inventors demonstrate this effect by obtaining a thermoelectric figure of merit, zT, higher than 1.3 at high temperatures in n-type PbSe, because of the weak scattering of carriers in the conduction band as compared with that in the valence band. The invention further demonstrates favorable thermoelectric transport properties of n-type PbTe.sub.1-xI.sub.x with carrier concentrations ranging from 5.8.times.10.sup.18-1.4.times.10.sup.20 cm.sup.-3.

  20. Quasiparticle electronic structure of bulk and slab Bi2Se3 and Bi2Te3

    NASA Astrophysics Data System (ADS)

    Barker, Bradford; Deslippe, Jack; Yazyev, Oleg; Louie, Steven G.

    2014-03-01

    We present ab initio calculations of the quasiparticle electronic band structure of three-dimensional topological insulator materials Bi2Se3 and Bi2Te3. The mean-field DFT calculation is performed with fully relativistic pseudopotentials, generating spinor wavefunctions in a plane-wave basis. Quasiparticle properties are computed with a one-shot ab initio GW calculation. We use both bulk and slab forms of the materials to better understand the quasiparticle band gaps and Fermi velocities of the topological surface states of these materials. This work was supported by NSF grant No. DMR10-1006184 and U.S. DOE under Contract No. DE-AC02-05CH11231. Computational resources have been provided by DOE at LBNL's NERSC facility and the NSF through XSEDE resources at NICS.

  1. Study of optical nonlinearities in Se-Te-Bi thin films

    NASA Astrophysics Data System (ADS)

    Sharma, Ambika; Yadav, Preeti; Kumari, Anshu

    2014-04-01

    The present work reports the nonlinear refractive index of Se85-xTe15Bix thin films calculated by Ticha and Tichy relation. The nonlinear refractive index of Chalcogenide amorphous semiconductor is well correlated with the linear refractive index and WDD parameters which in turn depend on the density and molar volume of the system. The density of the system is calculated theoretical as well as experimentally by using Archimedes principle. The linear refractive index and WDD parameters are calculated using single transmission spectra in the spectral range of 400-1500 nm. It is observed that linear as well as nonlinear refractive index increases with Bi content. The results are analyzed on the basis of increasing polarizability due to larger radii of Bi.

  2. Coupling of Spin and Orbital Excitation in the Iron-based Superconductor FeSeTe

    SciTech Connect

    Lee, S.; Xu, G; Ku, W; Wen, J; Lee, C; Katayama, N; Xu, Z; Ji, S; Lin, Z; Gu, G

    2010-01-01

    We present a combined analysis of neutron scattering and photoemission measurements on superconducting FeSe{sub 0.5}Te{sub 0.5}. The low-energy magnetic excitations disperse only in the direction transverse to the characteristic wave vector (1/2,0,0) whereas the electronic Fermi surface near (1/2,0,0) appears to consist of four incommensurate pockets. While the spin resonance occurs at an incommensurate wave vector compatible with nesting, neither spin-wave nor Fermi-surface-nesting models can describe the magnetic dispersion. We propose that a coupling of spin and orbital correlations is key to explaining this behavior. If correct, it follows that these nematic fluctuations are involved in the resonance and could be relevant to the pairing mechanism.

  3. Comparison of magneto-optical properties of various excitonic complexes in CdTe and CdSe self-assembled quantum dots

    NASA Astrophysics Data System (ADS)

    Kobak, J.; Smoleński, T.; Goryca, M.; Rousset, J.-G.; Pacuski, W.; Bogucki, A.; Oreszczuk, K.; Kossacki, P.; Nawrocki, M.; Golnik, A.; Płachta, J.; Wojnar, P.; Kruse, C.; Hommel, D.; Potemski, M.; Kazimierczuk, T.

    2016-07-01

    We present a comparative study of two self-assembled quantum dot (QD) systems based on II-VI compounds: CdTe/ZnTe and CdSe/ZnSe. Using magneto-optical techniques we investigated a large population of individual QDs. The systematic photoluminescence studies of emission lines related to the recombination of neutral exciton X, biexciton XX, and singly charged excitons (X+, X-) allowed us to determine average parameters describing CdTe QDs (CdSe QDs): X-XX transition energy difference 12 meV (24 meV); fine-structure splitting δ1=0.14 meV (δ1=0.47 meV); g-factor g  =  2.12 (g  =  1.71) diamagnetic shift γ=2.5 μeV T-2 (γ =1.3 μeV T-2). We find also statistically significant correlations between various parameters describing internal structure of excitonic complexes.

  4. Effects of Composition and Compositional Distribution on the Electronic Structure of ZnSe(1-x)Te(x) Ternary Quantum Dots

    SciTech Connect

    Pandey, Sumeet C.; Maroudas, Dimitrios

    2011-01-01

    We report results of first-principles density functional theory(DFT) calculations for the electronic structure of ZnSe1- x Te x ternary quantum dots (TQDs) and the effects of composition and compositional distribution on the electron density distribution, electronic density of states, and band gap. We analyze the electronic structure of five types of nanocrystal configurations, namely, pristine ZnSe and ZnTe quantum dots, as well as ZnSe/ZnTe core/shell, ZnTe/ZnSe reverse core/shell, and randomly alloyed ZnSe1- x Te x TQDs. We find that the band gaps for ZnSe/ZnTe core/shell TQDs are nonlinearly dependent on the number of Te atoms in the shell, whereas presence of Te in the core of alloyed ZnSe1- x Te x TQDs modifies the electronic energy levels abruptly and significantly in the limits of x → 0 and x → 1. Our results imply that distribution of Te atoms in the TQD in the form of a ZnSe/ZnTe core/shell configuration allows for optimum tunability of the band gap and wave function confinement in TQDs.

  5. Composition Dependence of the Hydrostatic Pressure Coefficients of the Bandgap of ZnSe(1-x)Te(x) Alloys

    NASA Technical Reports Server (NTRS)

    Wu, J.; Yu, K. M.; Walukiewicz, W.; Shan, W.; Ager, J. W., III; Haller, E. E.; Miotkowski, I.; Ramdas, A. K.; Su, Ching-Hua

    2003-01-01

    Optical absorption experiments have been performed using diamond anvil cells to measure the hydrostatic pressure dependence of the fundamental bandgap of ZnSe(sub 1-xTe(sub x) alloys over the entire composition range. The first and second-order pressure coefficients are obtained as a function of composition. Starting from the ZnSe side, the magnitude of both coefficients increases slowly until x approx. 0.7, where the ambient-pressure bandgap reaches a minimum. For larger values of x the coefficients rapidly approach the values of ZnTe. The large deviations of the pressure coefficients from the linear interpolation between ZnSe and ZnTe are explained in terms of the band anticrossing model.

  6. Inelastic x-ray scattering measurements of phonon dispersion and lifetimes in PbTe1-x Se x alloys.

    PubMed

    Tian, Zhiting; Li, Mingda; Ren, Zhensong; Ma, Hao; Alatas, Ahmet; Wilson, Stephen D; Li, Ju

    2015-09-23

    PbTe1-x Se x alloys are of special interest to thermoelectric applications. Inelastic x-ray scattering determination of phonon dispersion and lifetimes along the high symmetry directions for PbTe1-x Se x alloys are presented. By comparing with calculated results based on the virtual crystal model calculations combined with ab initio density functional theory, the validity of virtual crystal model is evaluated. The results indicate that the virtual crystal model is overall a good assumption for phonon frequencies and group velocities despite the softening of transverse acoustic phonon modes along [1 1 1] direction, while the treatment of lifetimes warrants caution. In addition, phonons remain a good description of vibrational modes in PbTe1-x Se x alloys.

  7. Fluorescence properties of alloyed ZnSeS quantum dots overcoated with ZnTe and ZnTe/ZnS shells

    NASA Astrophysics Data System (ADS)

    Adegoke, Oluwasesan; Mashazi, Philani; Nyokong, Tebello; Forbes, Patricia B. C.

    2016-04-01

    Fluorescent alloyed ternary ZnSeS quantum dots (QDs) have been synthesized via the pyrolysis of organometallic precursors. The effects of passivation of ZnTe and ZnTe/ZnS shells on the optical properties of the ternary alloyed ZnSeS core have been studied. A ligand exchange reaction using L-cysteine as a capping ligand was used to obtain water-soluble nanocrystals. The nanocrystals were each characterized by UV/vis absorption and fluorescence spectroscopy, transmission electron microscopy, X-ray diffractometry (XRD) and X-ray photoelectron spectroscopy (XPS). The photoluminescence (PL) quantum yield (QY) of alloyed ZnSeS QDs was 14% and this value increased to 27% when ZnTe was overcoated around the surface but further coating with a ZnS shell decreased the PL QY slightly to 24%. This implies that ZnTe shell suppressed non-radiative recombination exciton states in the alloyed core while further layering with a ZnS shell offered no further improvement in suppressing the defect states. XPS analysis confirmed the presence of the first shell layering but showed a weakened intensity signal of S (2p) and Se (3d) for the ZnSeS/ZnTe/ZnS QDs. Our work demonstrates for the first time that shell passivation of alloyed Zn-based QDs can offer improved optical properties. We hope the optical information presented in this work will be useful in the selection of alloyed Zn-based QDs appropriate for the intended application.

  8. Effect of thermal annealing on structure and optical band gap of Se66Te25In9 thin films

    NASA Astrophysics Data System (ADS)

    Dwivedi, D. K.; Pathak, H. P.; Shukla, Nitesh; Kumar, Vipin

    2015-05-01

    Thin films of a-Se66Te25In9 have been deposited onto a chemically cleaned glass substrate by thermal evaporation technique under vacuum. Glassy nature of the films has been ascertained by X-ray diffraction pattern. The analysis of absorption spectra, measured at normal incidence, in the spectral range 400-1100 nm has been used for the optical characterization of thin films under investigation. The effect of thermal annealing on structure and optical band gap (Eg) of a-Se66Te25In9 have been studied.

  9. Investigation of Optical Nonlinearities in Bi-Doped Se-Te Chalcogenide Thin Films

    NASA Astrophysics Data System (ADS)

    Yadav, Preeti; Sharma, Ambika

    2015-03-01

    The present paper reports the nonlinear optical properties of chalcogenide Se85- x Te15Bi x (0 ≤ x ≤ 5) thin films. The formulation proposed by Boling, Fournier, and Snitzer and Tichy and Ticha has been used to compute the nonlinear refractive index n 2. The two-photon absorption coefficient β 2, and first- and third-order susceptibilities [ χ (1) and χ (3)] are also reported. The nonlinear refractive index n 2 is well correlated with the linear refractive index n and Wemple-DiDomenico (WDD) parameters, in turn depending on the density ρ and molar volume V m of the system. The density of the system is calculated experimentally by using Archimedes' principle. The linear optical parameters, viz. n, WDD parameters, and optical bandgap E g, are measured experimentally using ellipsometric curves obtained by spectrophotometry. The composition-dependent behavior of n 2 is analyzed on the basis of various parameters, viz. density, bond distribution, cohesive energy (CE), and optical bandgap E g, of the system. The variation of n 2 and β 2 with changing bandgap E g is also reported. The values of n 2 and χ (3) of the investigated chalcogenides are compared with those of pure silica, oxide, and other Se-based glasses.

  10. Compounds in the system Cu 2SeAs 2Se 3

    NASA Astrophysics Data System (ADS)

    Blachnik, R.; Kurz, G.

    1984-11-01

    The phase diagram Cu 2SeAs 2Se 3 was investigated by thermal and X-ray methods. Cu 2Se has a limited solubility for As 2Se 3 (5 mole% at 769 K). The stoichiometric compound Cu 3AsSe 3 exists between 696 and 769 K. Cu 4As 2Se 5, a phase at 66.6 mole% Cu 2Se, decomposes peritectically at 746 K. The narrow homogeneity range (4 mole% at 683 K) extends far into the ternary space. CuAsSe 2 also decomposes peritectically at 683 K. A degenerated eutectic between CuAsSe 2 and As 2Se 3 was found at 641 K. Single crystals of Cu 4As 2Se 5 were grown in a salt melt. A metastable modification of the high-temperature phase Cu 3AsSe 3 can be obtained by quenching. Cu 4As 2Se 5 (space group R3, lattice constants a = 1404.0(1) pm, c = 960.2(1) pm), Cu 6As 4Se 9, obtained by Cambi and Elli, and Cu 7As 6Se 13 of Takeuchi and Horiuchi are different versions of a sphalerite-type compound with a broad homogeneity range in the system CuAsSe. CuAsSe 2 is possibly monoclinic with lattice parameters of a = 946.5(1) pm, b = 1229.3(1) pm, c = 511.7(1) pm, and β = 98.546(4)°. The enthalpy of mixing of Cu 2Se and As 2Se 3 in the liquid state is endothermic.

  11. Metal-free inorganic ligands for colloidal nanocrystals: S2-, HS-, Se2-, HSe-, Te2-, HTe-, TeS3(2-), OH-, and NH2- as surface ligands.

    PubMed

    Nag, Angshuman; Kovalenko, Maksym V; Lee, Jong-Soo; Liu, Wenyong; Spokoyny, Boris; Talapin, Dmitri V

    2011-07-13

    All-inorganic colloidal nanocrystals were synthesized by replacing organic capping ligands on chemically synthesized nanocrystals with metal-free inorganic ions such as S(2-), HS(-), Se(2-), HSe(-), Te(2-), HTe(-), TeS(3)(2-), OH(-) and NH(2)(-). These simple ligands adhered to the NC surface and provided colloidal stability in polar solvents. The versatility of such ligand exchange has been demonstrated for various semiconductor and metal nanocrystals of different size and shape. We showed that the key aspects of Pearson's hard and soft acids and bases (HSAB) principle, originally developed for metal coordination compounds, can be applied to the bonding of molecular species to the nanocrystal surface. The use of small inorganic ligands instead of traditional ligands with long hydrocarbon tails facilitated the charge transport between individual nanocrystals and opened up interesting opportunities for device integration of colloidal nanostructures.

  12. Phonon conduction in PbSe, PbTe, and PbTe1-xSex from first-principles calculations

    NASA Astrophysics Data System (ADS)

    Tian, Zhiting; Garg, Jivtesh; Esfarjani, Keivan; Shiga, Takuma; Shiomi, Junichiro; Chen, Gang

    2012-05-01

    We apply first-principles calculations to lead selenide (PbSe) and lead telluride (PbTe) and their alloys (PbTe1-xSex), which are potentially good thermoelectric materials, to investigate their phonon transport properties. By accurately reproducing the lattice thermal conductivity, we validate the approaches adopted in this work. We, then, compare and contrast PbSe and PbTe, evaluate the importance of the optical phonons to lattice thermal conductivity, and estimate the impacts of nanostructuring and alloying on further reducing the lattice thermal conductivity. The results indicate that (1) the optical phonons are important not only because they directly comprise over 20% of the lattice thermal conductivity but also because they provide strong scattering channels for acoustic phonons, which is crucial for the low thermal conductivity; (2) nanostructures of less than ˜10 nm are needed to reduce the lattice thermal conductivity for pure PbSe and PbTe; and (3) alloying should be a relatively effective way to reduce the lattice thermal conductivity.

  13. Theory of electron spin resonance in bulk topological insulators Bi2Se3, Bi2Te3 and Sb2Te3.

    PubMed

    Ly, O; Basko, D M

    2016-04-20

    We report a theoretical study of electron spin resonance in bulk topological insulators, such as Bi2Se3, Bi2Te3 and Sb2Te3. Using the effective four-band model, we find the electron energy spectrum in a static magnetic field and determine the response to electric and magnetic dipole perturbations, represented by oscillating electric and magnetic fields perpendicular to the static field. We determine the associated selection rules and calculate the absorption spectra. This enables us to separate the effective orbital and spin degrees of freedom and to determine the effective g factors for electrons and holes.

  14. Enhancement of thermoelectric performance in n-type PbTe1-ySey by doping Cr and tuning Te:Se ratio

    SciTech Connect

    Chere, Eyob K.; Zhang, Qian; McEnaney, Kenneth; Yao, Mengliang; Cao, Feng; Sun, Jingying; Chen, Shuo; Opeil, Cyril; Chen, Gang; Ren, Zhifeng

    2015-04-01

    Lead telluride and its alloys have been extensively studied for medium temperature thermoelectric applications due to decent figure-of-merit (ZT) at temperature close to 900 K. However, little emphasis has been given to improve the ZT near room temperature. In this investigation, we report a systematic study of Cr doping in PbTe1-ySey with y=0, 0.25, 0.5, 0.75, 0.85, and 1. We found the peak ZT temperature increased with increasing concentration of Se. The highest ZT of ~0.6 at room temperature in Te-rich Cr0.015Pb0.985Te0.75Se0.25 was obtained due to a lowered thermal conductivity and enhanced power factor resulted from high Seebeck coefficient of about -220 µV K-1 and high Hall mobility ~1120 cm2 V-1 s-1 at room temperature. A room temperature ZT of ~0.5 and peak ZT of ~1 at about 573–673 K is shown by Se-rich sample Cr0.01Pb0.99Te0.25Se0.75. This improvement of the room temperature ZTimproved the average ZT over a wide temperature range and could potentially lead to a single leg efficiency of thermoelectric conversion for Te-rich Cr0.015Pb0.985Te0.75Se0.25 up to ~11% and Se-rich Cr0.01Pb0.99Te0.25Se0.75 up to ~13% with cold side and hot side temperature at 300 K and 873 K, respectively, if matched with appropriate p-type legs.

  15. Effects of Pnictogen Atmosphere Annealing on Fe1+yTe0.6Se0.4

    NASA Astrophysics Data System (ADS)

    Yamada, Tatsuhiro; Sun, Yue; Pyon, Sunseng; Tamegai, Tsuyoshi

    2016-02-01

    It has been clarified that bulk superconductivity in Fe1+yTe0.6Se0.4 can be induced by annealing in an appropriate atmosphere to remove the harmful effects of excess iron. In order to clarify the details of the annealing process, we studied the changes in the physical properties and reaction products of Fe1+yTe0.6Se0.4 annealed in pnictogen (P, As, Sb) atmospheres. Crystals annealed in a pnictogen atmosphere show bulk superconductivity and the values of Tc and Jc are about 14 K and (2-4) × 105 A/cm2 (2 K, self-field), respectively. It is also found that the reaction rate increases with the increase in the saturated vapor pressure of the pnictogen. Unexpectedly, the reaction products of Fe1+yTe0.6Se0.4 after annealing in a P atmosphere mainly consist of FeTe2. In addition, the amount of P required to obtain the optimal Tc is much smaller than the amount of excess iron, which is similar to the case of oxygen annealing. P, oxygen, and to some extent As could serve as catalysts to form FeTe2 to remove excess iron.

  16. Electronic and optical properties of BaTe, BaSe and BaS from first principles

    NASA Astrophysics Data System (ADS)

    Pourghazi, A.; Dadsetani, M.

    2005-12-01

    Electronic and optical properties of barium chalcogenide compounds BaX (X=S, Se and Te) in NaCl crystal structure are calculated using the band structure results obtained through the full potential linearized augmented plane wave (FP-LAPW) method. The exchange correlation potential is treated by the generalized gradient approximation. The real and imaginary parts of the dielectric function ε(ω), the optical absorption coefficient I(ω), the reflectivity R(ω) and the energy loss function are calculated. The calculated results show good agreement with the available experimental results, particularly in the low-energy region of the spectra. Furthermore the interband transitions responsible for the structures seen in the spectra are specified. It is shown that the chalcogen p states and Ba 5d states play a major role in optical transitions as initial and final states, respectively. The effect of the spin-orbit coupling on the optical properties is also investigated and found to be significant, especially in high-energy regions.

  17. Air sensitivity of MoS2, MoSe2, MoTe2, HfS2, and HfSe2

    NASA Astrophysics Data System (ADS)

    Mirabelli, Gioele; McGeough, Conor; Schmidt, Michael; McCarthy, Eoin K.; Monaghan, Scott; Povey, Ian M.; McCarthy, Melissa; Gity, Farzan; Nagle, Roger; Hughes, Greg; Cafolla, Attilio; Hurley, Paul K.; Duffy, Ray

    2016-09-01

    A surface sensitivity study was performed on different transition-metal dichalcogenides (TMDs) under ambient conditions in order to understand which material is the most suitable for future device applications. Initially, Atomic Force Microscopy and Scanning Electron Microscopy studies were carried out over a period of 27 days on mechanically exfoliated flakes of 5 different TMDs, namely, MoS2, MoSe2, MoTe2, HfS2, and HfSe2. The most reactive were MoTe2 and HfSe2. HfSe2, in particular, showed surface protrusions after ambient exposure, reaching a height and width of approximately 60 nm after a single day. This study was later supplemented by Transmission Electron Microscopy (TEM) cross-sectional analysis, which showed hemispherical-shaped surface blisters that are amorphous in nature, approximately 180-240 nm tall and 420-540 nm wide, after 5 months of air exposure, as well as surface deformation in regions between these structures, related to surface oxidation. An X-ray photoelectron spectroscopy study of atmosphere exposed HfSe2 was conducted over various time scales, which indicated that the Hf undergoes a preferential reaction with oxygen as compared to the Se. Energy-Dispersive X-Ray Spectroscopy showed that the blisters are Se-rich; thus, it is theorised that HfO2 forms when the HfSe2 reacts in ambient, which in turn causes the Se atoms to be aggregated at the surface in the form of blisters. Overall, it is evident that air contact drastically affects the structural properties of TMD materials. This issue poses one of the biggest challenges for future TMD-based devices and technologies.

  18. Distinguishability of stacks in ZnTe/ZnSe quantum dots via spectral analysis of Aharonov-Bohm oscillations

    NASA Astrophysics Data System (ADS)

    Roy, Bidisha; Ji, Haojie; Dhomkar, Siddharth; Cadieu, Fred J.; Peng, Le; Moug, Richard; Tamargo, Maria C.; Kuskovsky, Igor L.

    2013-02-01

    A spectral analysis of the Aharonov-Bohm (AB) oscillations in photoluminescence intensity was performed for stacked type-II ZnTe/ZnSe quantum dots (QDs) fabricated within multilayered Zn-Se-Te system with sub-monolayer insertions of Te. Robust AB oscillations allowed for fine probing of distinguishable QDs stacks within the ensemble of QDs. The AB transition magnetic field, B AB , changed from the lower energy side to the higher energy side of the PL spectra revealing the presence of different sets of QDs stacks. The change occurs within the spectral range, where the contributing green and blue bands of the spectra overlapped. "Bundling" in lifetime measurements is seen at transition spectral regions confirming the results.

  19. Thermoelectric properties of topological insulator Bi2Te3, Sb2Te3, and Bi2Se3 thin film quantum wells

    NASA Astrophysics Data System (ADS)

    Osterhage, Hermann; Gooth, Johannes; Hamdou, Bacel; Gwozdz, Paul; Zierold, Robert; Nielsch, Kornelius

    2014-09-01

    The thermoelectric (TE) figure of merit ZT of topological insulator Bi2Te3, Sb2Te3, and Bi2Se3 thin film quantum wells is calculated for thicknesses below 10 nm, for which hybridization of the surface states as well as quantum confinement in the bulk are individually predicted to enhance ZT. Here, the question is addressed what ZT can be expected from coexisting surface and bulk states in such quantum wells. It is demonstrated that the parallel contributing bulk and surface channels tend to cancel each other out. This is because the surface-to-volume ratios of the thin films prevent the domination of transport through a single channel and because the individual bulk and surface ZTs are optimized at different Fermi levels.

  20. Growth of Compound Semiconductors in a Low Gravity Environment: Microgravity Growth of PbSnTe

    NASA Technical Reports Server (NTRS)

    Fripp, Archibald L.; Debnam, William J.; Rosch, William R.; Baker, N. R.; Narayanan, R.

    1999-01-01

    The growth of the alloy compound semiconductor lead tin telluride (PbSnTe) was chosen for a microgravity flight experiment in the Advanced Automated Directional Solidification Furnace (AADSF), on the United States Microgravity Payload-3 (USMP-3) and on USMP-4 Space Shuttle flights in February, 1996, and November, 1997. The objective of these experiments was to determine the effect of the reduction in convection, during the growth process, brought about by the microgravity environment. The properties of devices made from PbSnTe are dependent on the ratio of the elemental components in the starting crystal. Compositional uniformity in the crystal is only obtained if there is no significant mixing in the liquid during growth. Lead tin telluride is an alloy of PbTe and SnTe. The technological importance of PbSnTe lies in its band gap versus composition diagram which has a zero energy crossing at approximately 40% SnTe. This facilitates the construction of long wavelength (>6 micron) infrared detectors and lasers. Observations and experimental methods of crystal growth of PbSnTe on both Space Shuttle Flights are presented.

  1. Adsorption and dissociation of O2 on MoSe2 and MoTe2 monolayers: ab initio study

    NASA Astrophysics Data System (ADS)

    Zhu, X. F.; Wang, L.; Chen, L. F.

    2014-07-01

    Adsorption and dissociation of O2 molecule on the MoSe2 and MoTe2 monolayers are studied by using density functional theory (DFT) within the generalized gradient approximation (GGA) and a supercell approach. The physisorbed O2 molecule on MoSe2 and MoTe2 with a magnetic moment (MM) close to that for an isolated O2 molecule has small adsorption energy and long distance from the surface. The dissociative adsorption of configuration R5(R6) is the most stable adsorption site, whereas the chemisorption of O2 is unfavorable at all adsorption sites. The dissociative adsorption of configuration R4 induces dramatic changes of electronic structures and localized spin polarization both for monolayer MoSe2 and MoTe2. The analysis of electronic density of states (DOSs) shows that the contribution of spin polarization is mainly from the hybridization between O-p, Se(Te)-p and Mo-d orbitals.

  2. Pulsed electrodeposition and characterization of Bi{sub 2}Te{sub 3−y}Se{sub y} films

    SciTech Connect

    Zou, Z.G.; Cai, K.F.; Chen, S.; Qin, Z.

    2012-11-15

    Highlights: ► Bi{sub 2}Te{sub 3−y}Se{sub y} films synthesized by pulsed electrodeposition. ► The thermoelectric properties of the film were measured at room temperature. ► The films show much better properties then galvanostatically deposited film. -- Abstract: Bi{sub 2}Te{sub 3−y}Se{sub y} films were synthesized by pulsed electrodeposition on indium tin oxide (ITO)-coated glass substrates from aqueous acidic solution at room temperature. The films were deposited at the same average current density but different cathodic current density. The crystal structure, surface morphology and elemental composition of the films were investigated. Smooth and compact Bi{sub 2}Te{sub 3−y}Se{sub y} films were obtained. As the cathodic current density increased, the grain size of the films decreased. The electrical resistivity and Seebeck coefficient of each Bi{sub 2}Te{sub 3−y}Se{sub y} film were measured after the film being transferred onto a non-conductive rubberized fabric support. The films showed n-type conduction, with Seebeck coefficient in the range of ∼−84 to −92 μV/K and electrical resistivity in the range of 102.9–109.4 μΩ m. The films showed much better thermoelectric properties compared with the film galvanostatically deposited at the same average current density.

  3. Optical and structural properties of amorphous Se x Te100- x aligned nanorods

    NASA Astrophysics Data System (ADS)

    Al-Agel, Faisal A.

    2013-12-01

    In the present work, we report studies on optical and structural phenomenon in as-deposited thin films composed of aligned nanorods of amorphous Se x Te100- x ( x = 3, 6, 9, and 12). In structural studies, field emission scanning electron microscopic (FESEM) images suggest that these thin films contain high yield of aligned nanorods. These nanorods show a completely amorphous nature, which is verified by X-ray diffraction patterns of these thin films. Optical studies include the measurement of spectral dependence of absorption, reflection, and transmission of these thin films, respectively. On the basis of optical absorption data, a direct optical band gap is observed. This observation of a direct optical band gap in these nanorods is interesting as chalcogenides normally show an indirect band gap, and due to this reason, these materials could not become very popular for semiconducting devices. Therefore, this is an important report and will open up new directions for the application of these materials in semiconducting devices. The value of this optical band gap is found to decrease with the increase in selenium (Se) concentration. The reflection and absorption data are employed to estimate the values of optical constants (extinction coefficient ( k) and refractive index ( n)). From the spectral dependence of these optical constants, it is found that the values of refractive index ( n) increase, whereas the values of extinction coefficient ( k) decrease with the increase in photon energy. The real and imaginary parts of dielectric constants calculated with the values of extinction coefficient ( k) and refractive index ( n), are found to vary with photon energy and dopant concentration.

  4. Thermal Stability and Anisotropic Sublimation of Two-Dimensional Colloidal Bi2Te3 and Bi2Se3 Nanocrystals.

    PubMed

    Buha, Joka; Gaspari, Roberto; Del Rio Castillo, Antonio Esau; Bonaccorso, Francesco; Manna, Liberato

    2016-07-13

    The structural and compositional stabilities of two-dimensional (2D) Bi2Te3 and Bi2Se3 nanocrystals, produced by both colloidal synthesis and by liquid phase exfoliation, were studied by in situ transmission electron microscopy (TEM) during annealing at temperatures between 350 and 500 °C. The sublimation process induced by annealing is structurally and chemically anisotropic and takes place through the preferential dismantling of the prismatic {011̅0} type planes, and through the preferential sublimation of Te (or Se). The observed anisotropic sublimation is independent of the method of nanocrystal's synthesis, their morphology, or the presence of surfactant molecules on the nanocrystals surface. A thickness-dependent depression in the sublimation point has been observed with nanocrystals thinner than about 15 nm. The Bi2Se3 nanocrystals were found to sublimate below 280 °C, while the Bi2Te3 ones sublimated at temperatures between 350 and 450 °C, depending on their thickness, under the vacuum conditions in the TEM column. Density functional theory calculations confirm that the sublimation of the prismatic {011̅0} facets is more energetically favorable. Within the level of modeling employed, the sublimation occurs at a rate about 700 times faster than the sublimation of the {0001} planes at the annealing temperatures used in this work. This supports the distinctly anisotropic mechanisms of both sublimation and growth of Bi2Te3 and Bi2Se3 nanocrystals, known to preferentially adopt a 2D morphology. The anisotropic sublimation behavior is in agreement with the intrinsic anisotropy in the surface free energy brought about by the crystal structure of Bi2Te3 or Bi2Se3. PMID:27231980

  5. Non-isothermal crystallization kinetics of ternary Se90Te10-xPbx glasses

    NASA Astrophysics Data System (ADS)

    Atyia, H. E.; Farid, A. S.

    2016-02-01

    Ternary Se90Te10-xPbx with (x=2 and 6 at%) glass compositions have been prepared using a melt quenching technique and performed the non-isothermal kinetics by differential thermal analysis (DTA) at various heating rates. The glassy state of the studied samples has been characterized using x-ray diffraction analysis. The glass transition temperature Tg, the onset temperature of crystallization Tc and the peak temperature of crystallization Tp are found to be composition and heating rate dependent. From heating rate dependence of Tg and Tp, the glass transition activation energies Eg and the crystallization activation energies Ec have been determined according to different methods. The transformation mechanisms have been examined by the values of Avrami exponent n and dimensionality of growth m. Thermal stability and glass formation ability have been monitored through the calculation of the thermal stability S, temperature difference ΔT, Hurby parameter Hr, frequency factor Ko, crystallization rate factor K and fragility index F. The compositional dependence of the above-mentioned parameters indicate that, the stability of the studied glass samples decreases with increasing Pb at% content.

  6. MBE growth of topological insulator Bi2Se3 and Bi2Te3 films

    NASA Astrophysics Data System (ADS)

    Zhang, Tong; Levy, Niv; Song, Young Jae; Chae, Jungseok; Stroscio, Joseph A.

    2011-03-01

    Three-dimensional (3D) topological insulators are a new state of quantum matter with a band gap in bulk but gapless states on the surface. The surface states with spin helicity can be the host of many striking quantum phenomena. In this work, we use ultrahigh vacuum molecular beam epitaxy to grow atomically flat topological insulator (TI) Bi2Se3 and Bi2Te3 films. High quality TI films were obtained using epitaxial graphene on SiC as a substrate for TI growth. The growth dynamics was characterized by real time reflection high-energy electron diffraction (RHEED). The growth condition was optimized by adjusting for proper flux rate and substrate temperature while monitoring the RHEED patterns. In situ Auger spectroscopy and scanning tunneling microscopy (STM) measurements at 5K are used to study the as-grown films for their stoichiometry and defect density. We expect these MBE grown samples will provide a good candidate for studying the topological surface states and related phenomena, which will be studied using scanning tunneling spectroscopy at millikelvin temperatures

  7. Current induced Optical Activity in Topological Insulator Bi2Te2Se1

    NASA Astrophysics Data System (ADS)

    Mandal, Nirajan; Mitkowski, Irek; Glazov, Mikhail; Chen, Yong

    Current induced polarization rotation of light (provided by a laser with wavelength =635nm) was studied from topological insulator (TI), Bi2Te2Se1, grown by Bridgman method. The magnitude of the observed response increases linearly with the applied current and reverses sign upon reversing the current direction. Possible origins of the rotation can include the linear electro-optic Pockels effect (linear birefringence) and spin-Kerr effect due to the current induced spin polarization (e.g, resulting from the spin momentum locking of the surface states) at the sample surface. At room temperature, the rotation was measured as a function of the angle of incidence and laser polarization. Dependence of the rotation angle on the polarization of light (S or P) was used to isolate contributions from these two effects. The contribution from the electro optic effect was found to dominate over that from the current-induced spin- Kerr effect. Birck Nanotechnology Center, Purdue University, West Lafayette, IN 47907.

  8. Linear magneto-resistance in Bi2SeTe2 topological insulator

    NASA Astrophysics Data System (ADS)

    Amaladass, E. P.; Sharma, Shilpam; Devidas, T. R.; Mani, Awadhesh

    2016-05-01

    Magnetic field and temperature dependent electronic transport measurements have been carried out on Bi2SeTe2 topological insulator single crystals. The measurements reveal an insulating behavior and the carriers were found to be electrons (n-type) from Hall measurement. Magneto-resistance (MR) measurements in the field range (B) of 15 T to -15 T carried out at 4.2 K showed a cusp like weak anti-localization behavior for lower fields (-5T 5T. Upon increasing temperature, MR transforms to linear dependence of B at 40, 50 and 100 K. On further increasing temperatures (> 200K), a parabolic MR is observed. Temperature dependent Hall data also showed a transition from a nonlinear to linear behavior upon increasing temperatures. Disorder induced changes in the electronic transport characteristics of bulk and surface electrons are believed to cause such changes in the magneto-transport behavior of this system.

  9. Structural, half-metallic magnetism and elastic properties of the KMnQ2 (Q=O, S, Se, Te) chalcogenides from first-principles calculations

    NASA Astrophysics Data System (ADS)

    Benmakhlouf, A.; Bentabet, A.; Bouhemadou, A.; Maabed, S.; Benghia, A.; Khenata, R.; Bin-Omran, S.

    2016-06-01

    The structural, electronic, magnetic and elastic properties of the ternary chalcogenides KMnQ2 (Q=O, S, Se, Te) crystals were investigated by means of spin-polarized density functional theory calculations. The 3d orbitals of the Mn atoms were treated using the GGA+U approach. The calculated equilibrium structural parameters agree well with the experimental data. Based on the analysis of the spin-polarized band structures and density of states, we predict the half-metallic character of the studied compounds, with a half-metallic gap of 1.38 eV, 0.53 eV, 0.37 eV and 0.14 eV for KMnO2, KMnS2, KMnSe2 and KMnTe2, respectively, and a total magnetic moment of 4.00μB per unit-cell for all considered structures. The examined properties for the title compounds include also the single-crystal elastic constants, bulk modulus, shear modulus, Young's modulus and Poisson's ratio.

  10. Reaction Routes for the Synthesis of CuInSe2 Using Bilayer Compound Precursors

    SciTech Connect

    Krishnan, Rangarajan; Wood, David; Chaudhari, Vaibhav U.; Payzant, E Andrew; Noufi, Rommel; Rozeveld, Steve; Kim, Woo Kyoung; Anderson, Timothy J

    2012-01-01

    The reaction pathways and phase evolution during synthesis of CuInSe{sub 2} (CIS) by a novel bilayer approach were investigated using in situ high-temperature X-ray diffraction. Two bilayer precursor structures, glass/Mo/{gamma}-In{sub 2}Se{sub 3}/{beta}-CuSe + {beta}-Cu{sub 2}Se/Se and glass/Mo/{gamma}-In{sub 2}Se{sub 3}/{beta}-Cu{sub 2}Se/Se, were examined in this study. Temperature ramp experiments revealed that the phase transformation sequence for each bilayer precursor qualitatively follows that predicted by the phase diagram and that the onset temperatures for decomposition of the sub-binary compounds depend on the Se partial pressure. Measurement of the isothermal rate of formation of CuInSe{sub 2} at six temperatures in the range 260 to 310 C for the {gamma}-In{sub 2}Se{sub 3}/{beta}-CuSe + {beta}-Cu{sub 2}Se/Se bilayer suggests relatively slow nucleation followed by diffusion-limited reaction with estimated activation energy of 162({+-}7) and 225 ({+-}16) kJ/mol from Avrami and parabolic models, respectively. Interestingly, the measured activation energy for the same precursor in a 4 mol % H{sub 2}/He ambient (108 ({+-}8) kJ/mol) was lower than that observed in pure N{sub 2} (158 ({+-}16) kJ/mol). The results of isothermal measurements in the temperature range 250 to 300 C for the {gamma}-In{sub 2}Se{sub 3}/{beta}-Cu{sub 2}Se/Se precursor film in an inert ambient are consistent with one-dimensional diffusion-limited growth with estimated activation energy from the Avrami and parabolic models of 194 ({+-}10) and 203 ({+-}12) kJ/mol, respectively.

  11. Cs7Sm11[TeO3]12Cl16 and Rb7Nd11[TeO3]12Br16, the new tellurite halides of the tetragonal Rb6LiNd11[SeO3]12Cl16 structure type

    NASA Astrophysics Data System (ADS)

    Charkin, Dmitri O.; Black, Cameron; Downie, Lewis J.; Sklovsky, Dmitry E.; Berdonosov, Peter S.; Olenev, Andrei V.; Zhou, Wuzong; Lightfoot, Philip; Dolgikh, Valery A.

    2015-12-01

    Two new rare-earth - alkali - tellurium oxide halides were synthesized by a salt flux technique and characterized by single-crystal X-ray diffraction. The structures of the new compounds Cs7Sm11[TeO3]12Cl16 (I) and Rb7Nd11[TeO3]12Br16 (II) (both tetragonal, space group I4/mcm) correspond to the sequence of [MLn11(TeO3)12] and [M6X16] layers and bear very strong similarities to those of known selenite analogs. We discuss the trends in similarities and differences in compositions and structural details between the Se and Te compounds; more members of the family are predicted.

  12. Raman spectrum of Cu2CdSnSe4 stannite structure semiconductor compound

    NASA Astrophysics Data System (ADS)

    Rincón, C.; Quintero, M.; Moreno, E.; Power, Ch.; Quintero, E.; Henao, J. A.; Macías, M. A.

    2015-12-01

    Raman spectrum of Cu2CdSnSe4 quaternary semiconductor compounds with tetragonal stannite-type structure (space group I 4 bar 2m), a material which has been recognized recently as a potential candidate for thermoelectric applications, has been studied. Most of the fourteen Raman lines expected for this compound according to group theory analysis were observed in the spectrum. Besides to the two strongest A1-symmetry stannite modes at 172 and 192 cm-1 originated from the motion of Se anion around the Cu and Sn cations which remain at rest, the leftover observed Raman lines were tentatively assigned to specific eigenmodes of the stannite crystal structure by comparing these line frequencies with those obtained for this compound from IR measurements as well as with those calculated Raman modes for the Cu2ZnSnSe4 stannite-compound reported in the literature. Two spurious Raman lines related to the presence in this compound of SnSe and SnSe2 minority secondary phases have also been found in the Raman spectrum.

  13. Measurements of current-induced spin polarizations in topological insulators Bi2Te2Se and Bi2Se3 thin flakes

    NASA Astrophysics Data System (ADS)

    Tian, Jifa; Miotkowski, Ireneusz; Hong, Seokmin; Datta, Supriyo; Chen, Yong

    Topological insulators (TIs) possess nontrivial spin-momentum-locked topological surface states (TSS). Real TI can also host trivial surface 2DEG with strong Rashba spin-orbit coupling derived from the bulk states. Both TSS and Rashba 2DEG can generate current induced spin polarization, although the dominant helicities of their spin-momentum locking (SML) are expected to be opposite. Here, we report spin potentiometric measurements in exfoliated bulk-insulating Bi2Te2Se and bulk-metallic Bi2Se3 thin flakes. In both materials, the voltage measured by a FM electrode shows a hysteretic step-like change when the FM magnetization is switched by an in-plane magnetic field. The trend of the voltage change can be reversed by reversing the direction of the dc current, and the amplitude of the spin signal increases linearly with increasing bias current. Such a spin signal is consistent with a current induced spin polarization arising from a helical SML. However, the observed trend of the voltage change is opposite between Bi2Te2Se and Bi2Se3, suggesting opposite signs of dominant spin helicity that we attribute to TSS and Rashba 2DEG respectively.

  14. A non-primitive origin of near-chondritic S-Se-Te ratios in mantle peridotites; implications for the Earthʼs late accretionary history

    NASA Astrophysics Data System (ADS)

    König, Stephan; Lorand, Jean-Pierre; Luguet, Ambre; Graham Pearson, D.

    2014-01-01

    The chalcophile and highly siderophile elements Se and Te, like the other Highly Siderophile Elements (HSE) in the terrestrial mantle, may constitute powerful key tracers for meteoritic materials that hit the Earth in its latest accretionary stages (“Late Veneer”). Here the Se and Te systematics of mantle-derived peridotites (orogenic peridotites, ophiolites, cratonic peridotite xenoliths) are assessed. Combined with published in-situ analyses of HSE host minerals, whole-rock data are modelled with respect to current petrogenetic models that affect mantle composition, for example partial melting and magmatic refertilisation. We demonstrate that the near-chondritic Se/Te signature (SeN/TeN≈9±4; N = CI-chondrite normalised) of “fertile” ophiolitic and orogenic lherzolites cannot be a primitive signature of the Earth's mantle. This signature can however be explained by simple refertilisation models. The HSE-Se-Te budget of these fertile rocks can be modelled by mixing various proportions of a residual assemblage of Fe-Ni monosulphide solid solutions (Mss) and/or refractory platinum group minerals (PGMs - Ru-Os-Ir sulphides + Pt-Ir-Os alloys) with a metasomatic assemblage comprising low-temperature Pt-Pd-Te phases and Cu-Ni-rich sulphides. On the other hand, the reported Se and Te ratios in fertile peridotites are not consistent with melt depletion alone. Additions of late-stage metasomatic S-Se-Te-HSE-rich phases render Primitive Upper Mantle (PUM) estimates for Se and Te highly debatable, especially without appropriate consideration of refertilisation and metasomatism. Our results indicate that there is currently no firm evidence for chondritic S-Se-Te signatures in the Primitive Upper Mantle. This conclusion challenges the simplistic perception that near-chondritic Se/Te ratios may readily trace the Late Veneer composition.

  15. Multiband nodeless superconductivity near the charge-density-wave quantum critical point in ZrTe3-x Se x

    NASA Astrophysics Data System (ADS)

    Shan, Cui; Lan-Po, He; Xiao-Chen, Hong; Xiang-De, Zhu; Cedomir, Petrovic; Shi-Yan, Li

    2016-07-01

    It was found that selenium doping can suppress the charge-density-wave (CDW) order and induce bulk superconductivity in ZrTe3. The observed superconducting dome suggests the existence of a CDW quantum critical point (QCP) in ZrTe3-x Se x near x ≈ 0.04. To elucidate the superconducting state near the CDW QCP, we measure the thermal conductivity of two ZrTe3-x Se x single crystals (x = 0.044 and 0.051) down to 80 mK. For both samples, the residual linear term κ 0/T at zero field is negligible, which is a clear evidence for nodeless superconducting gap. Furthermore, the field dependence of κ 0/T manifests a multigap behavior. These results demonstrate multiple nodeless superconducting gaps in ZrTe3-x Se x , which indicates conventional superconductivity despite of the existence of a CDW QCP. Project supported by the National Basic Research Program of China (Grant Nos. 2012CB821402 and 2015CB921401), the National Natural Science Foundation of China (Grant Nos. 91421101, 11422429, and 11204312), the Program for Professor of Special Appointment (Eastern Scholar) at Shanghai Institutions of Higher Learning, China, and STCSM of China (Grant No. 15XD1500200). Work at Brookhaven National Laboratory was supported by the US DOE under Contract No. DESC00112704.

  16. Field-Effect Transistors Based on Few-Layered Ambipolar MoSe2 and α-MoTe2

    NASA Astrophysics Data System (ADS)

    Rhodes, Daniel; Pradhan, Nihar; Feng, Simin; Moon, Byoung-Hee; Xin, Yan; Memaran, Sharhriar; Siddiq, Muhandis; Bhaskaran, Lakshmi; Hill, Stephen; Terrones, Humberto; Terrones, Mauricio; Pulickel, Ajayan; Balicas, Luis

    2015-03-01

    We report a room temperature study on the electrical responses of field-effect transistors (FETs) based on few-layered MoSe2 and MoTe2, grown by chemical vapor transport, mechanically exfoliated onto SiO2. MoSe2 FETs electrically contacted with Ti display ambipolar behavior with current on/off ratios up to 106 for both hole and electron channels. For both channels the Hall effect indicates Hall mobilities μH ~= 250 cm2/(Vs), which are comparable to the corresponding field-effect mobilities, μFE ~ 175 cm2/(Vs), evaluated through two-terminal field-effect configuration. MoTe2 field-effect transistors are observed to be hole-doped, displaying on/off ratios of ~ 106 and subthreshold swings of ~140 mV per decade. Our results suggest that MoSe2 is a good candidate for single atomic layer p -n junctions and for low-power, complementary logic applications, with MoTe2 having similar properties. However, in MoTe2 we observe a field-effect mobility of only μFE ~ 20 cm2/(Vs) in a bilayer device and ~ 27 cm2/(Vs) in seven layers. This work was supported by the U.S. Army Research Office MURI Grant No. W911NF-11-1-0362. The NHMFL is supported by NSF through NSF-DMR-0084173 and the State of Florida.

  17. Crystallization processes in Ge{sub 2}Sb{sub 2}Se{sub 4}Te glass

    SciTech Connect

    Svoboda, Roman; Bezdička, Petr; Gutwirth, Jan; Málek, Jiří

    2015-01-15

    Highlights: • Crystallization kinetics of Ge{sub 2}Sb{sub 2}Se{sub 4}Te glass was studied in dependence on particle size by DSC. • All studied fractions were described in terms of the SB autocatalytic model. • Relatively high amount of Te enhances manifestation of bulk crystallization mechanisms. • XRD analysis of samples crystallized under different conditions showed correlation with DSC data. • XRD analysis revealed a new crystallization mechanism indistinguishable by DSC. - Abstract: Differential scanning calorimetry (DSC) and X-ray diffraction (XRD) analysis were used to study crystallization in Ge{sub 2}Sb{sub 2}Se{sub 4}Te glass under non-isothermal conditions as a function of the particle size. The crystallization kinetics was described in terms of the autocatalytic Šesták–Berggren model. An extensive discussion of all aspects of a full-scale kinetic study of a crystallization process was undertaken. Dominance of the crystallization process originating from mechanically induced strains and heterogeneities was confirmed. Substitution of Se by Te was found to enhance the manifestation of the bulk crystallization mechanisms (at the expense of surface crystallization). The XRD analysis showed significant dependence of the crystalline structural parameters on the crystallization conditions (initial particle size of the glassy grains and applied heating rate). Based on this information, a new microstructural crystallization mechanism, indistinguishable by DSC, was proposed.

  18. Assessment of the anticancer compounds Se-methylselenocysteine and glucosinolates in Se-biofortified broccoli (Brassica oleracea L. var. italica) sprouts and florets.

    PubMed

    Ávila, Fabricio William; Faquin, Valdemar; Yang, Yong; Ramos, Silvio Junio; Guilherme, Luiz Roberto G; Thannhauser, Theodore W; Li, Li

    2013-07-01

    Broccoli (Brassica oleracea L. var. italica) is a rich source of chemopreventive compounds. Here, we evaluated and compared the effect of selenium (Se) treatment on the accumulation of anticancer compounds Se-methylselenocysteine (SeMSCys) and glucosinolates in broccoli sprouts and florets. Total Se and SeMSCys content in sprouts increased concomitantly with increasing Se doses. Selenate was superior to selenite in inducing total Se accumulation, but selenite is equally effective as selenate in promoting SeMSCys synthesis in sprouts. Increasing sulfur doses reduced total Se and SeMSCys content in sprouts treated with selenate, but not in those with selenite. Examination of five broccoli cultivars reveals that sprouts generally have better fractional ability than florets to convert inorganic Se into SeMSCys. Distinctive glucosinolate profiles between sprouts and florets were observed, and sprouts contained approximately 6-fold more glucoraphanin than florets. In contrast to florets, glucosinolate content was not affected by Se treatment in sprouts. Thus, Se-enriched broccoli sprouts are excellent for simultaneous accumulation of chemopreventive compounds SeMSCys and glucoraphanin.

  19. Single layer of MX₃ (M = Ti, Zr; X = S, Se, Te): a new platform for nano-electronics and optics.

    PubMed

    Jin, Yingdi; Li, Xingxing; Yang, Jinlong

    2015-07-28

    A serial of two-dimensional titanium and zirconium trichalcogenides nanosheets MX3 (M = Ti, Zr; X = S, Se, Te) were investigated based on first-principles calculations. The evaluated low cleavage energy indicates that stable two-dimensional monolayers can be exfoliated from their bulk crystals in the experiment. Electronic studies reveal the very rich electronic properties in these monolayers, including metallic TiTe3 and ZrTe3, direct band gap semiconductor, TiS3, and indirect band gap semiconductors, TiSe3, ZrS3 and ZrSe3. The band gaps of all the semiconductors are between 0.57 and 1.90 eV, which implies their potential applications in nano-electronics. In addition, the calculated effective masses demonstrate the highly anisotropic conduction properties for all the semiconductors. Optically, TiS3 and TiSe3 monolayers exhibit good light absorption in the visible and near-infrared region, respectively, indicating their potential applications in optical devices. In particular, the highly anisotropic optical absorption of the TiS3 monolayer suggests it could be used in designing nano-optical waveguide polarizers.

  20. Electrochemical control over photoinduced electron transfer and trapping in CdSe-CdTe quantum-dot solids.

    PubMed

    Boehme, Simon C; Walvis, T Ardaan; Infante, Ivan; Grozema, Ferdinand C; Vanmaekelbergh, Daniël; Siebbeles, Laurens D A; Houtepen, Arjan J

    2014-07-22

    Understanding and controlling charge transfer between different kinds of colloidal quantum dots (QDs) is important for devices such as light-emitting diodes and solar cells and for thermoelectric applications. Here we study photoinduced electron transfer between CdTe and CdSe QDs in a QD film. We find that very efficient electron trapping in CdTe QDs obstructs electron transfer to CdSe QDs under most conditions. Only the use of thiol ligands results in somewhat slower electron trapping; in this case the competition between trapping and electron transfer results in a small fraction of electrons being transferred to CdSe. However, we demonstrate that electron trapping can be controlled and even avoided altogether by using the unique combination of electrochemistry and transient absorption spectroscopy. When the Fermi level is raised electrochemically, traps are filled with electrons and electron transfer from CdTe to CdSe QDs occurs with unity efficiency. These results show the great importance of knowing and controlling the Fermi level in QD films and open up the possibility of studying the density of trap states in QD films as well as the systematic investigation of the intrinsic electron transfer rates in donor-acceptor films. PMID:24883930

  1. Effects of Bi2Se3 Nanoparticle Inclusions on the Microstructure and Thermoelectric Properties of Bi2Te3-Based Nanocomposites

    NASA Astrophysics Data System (ADS)

    Kim, HeeJin; Han, Mi-Kyung; Yo, Chul-Hyun; Lee, Wooyoung; Kim, Sung-Jin

    2012-12-01

    A series of thermoelectric nanocomposite samples were prepared by integrating Bi2Se3 nanoparticles into a bulk Bi2Te3 matrix. Primarily, spherical Bi2Se3 nanoparticles with diameter of ˜30 nm were synthesized by combining bismuth acetate with elemental Te in oleic acid solution. Bi2Te3-based nanocomposite samples were prepared by consolidating the appropriate quantity of Bi2Se3 nanoparticles with the starting elements (Bi and Te) using typical solid-state synthetic reactions. The microstructure and composition of the Bi2Te3-based nanocomposites, as well as the effects of the Bi2Se3 nanoparticles on their thermoelectric properties, are investigated. Transmission electron microscopy observation of the Bi2Te3-based nanocomposites reveals two types of interface between the constituent materials, i.e., coherent and incoherent, depending on the Bi2Se3 concentration. The Bi2Se3 nanoparticles in the Bi2Te3 matrix act as scattering centers for a wider range of phonon frequencies, thereby reducing the thermal conductivity. As a result, the maximum ZT value of 0.75 is obtained for the Bi2Te3 nanocomposite with 10 wt.% Bi2Se3 nanoparticles at room temperature. It is clear that the reduction in the thermal conductivity plays a central role in the enhancement of the ZT value.

  2. Thermoelectric Properties of Bi2Te3-y Se y :I m Prepared by Mechanical Alloying and Hot Pressing

    NASA Astrophysics Data System (ADS)

    Eum, A.-Young; Choi, Soon-Mok; Lee, Soonil; Seo, Won-Seon; Park, Jae-Soung; Yang, Seung-Ho; Kim, Il-Ho

    2016-08-01

    Bi2Te3-y Se y :I m (y = 0.15-0.6 and m = 0.0025-0.01) solid solutions were prepared by mechanical alloying and hot pressing. The lattice constants that were measured from x-ray diffraction patterns decreased linearly with increasing Se content, but they were not changed remarkably by I doping. The average relative densities of the hot-pressed specimens are higher than 97%. All of the specimens exhibited n-type conductions in the measured temperature range from 323 K to 523 K, and their electrical conductivity decreased slightly with increasing temperature, indicating degenerate semiconductor behaviors. The electrical conductivity decreased with increasing Se content, whereas it was increased by I doping, and this is in contrast with the Seebeck coefficient; this resulted from the changes of the electron concentrations due to the Se substitution and the I doping. The thermal conductivity decreased with increasing Se content, and this is the result of both the decreased electronic thermal conductivity due to the decreased carrier concentration and the decreased lattice thermal conductivity due to the increased alloy scattering. The maximum dimensionless figure of merit for Bi2Te2.4Se0.6, ZT max = 0.84 at 473 K, is due to its low thermal conductivity and high Seebeck coefficient.

  3. Quantifying electron-phonon coupling in CdTe{sub 1−x}Se{sub x} nanocrystals via coherent phonon manipulation

    SciTech Connect

    Spann, B. T.; Xu, X.

    2014-08-25

    We employ ultrafast transient absorption spectroscopy with temporal pulse shaping to manipulate coherent phonon excitation and quantify the strength of electron-phonon coupling in CdTe{sub 1−x}Se{sub x} nanocrystals (NCs). Raman active CdSe and CdTe longitudinal optical phonon (LO) modes are excited and probed in the time domain. By temporally controlling pump pulse pairs to coherently excite and cancel coherent phonons in the CdTe{sub 1−x}Se{sub x} NCs, we estimate the relative amount of optical energy that is coupled to the coherent CdSe LO mode.

  4. Pressure-induced gap closing and metallization of MoSe2 and MoTe2

    NASA Astrophysics Data System (ADS)

    Rifliková, Michaela; MartoÅák, Roman; Tosatti, Erio

    2014-07-01

    Layered molybdenum dichalchogenides are semiconductors whose gap is controlled by delicate interlayer interactions. The gap tends to drop together with the interlayer distance, suggesting collapse and metallization under pressure. We predict, based on first-principles calculations, that layered semiconductors 2Hc-MoSe2 and 2Hc-MoTe2 should undergo metallization at pressures between 28 and 40 GPa (MoSe2) and 13 and 19 GPa (MoTe2). Unlike MoS2 where a 2Hc → 2Ha layer-sliding transition is known to take place, these two materials appear to preserve the original 2Hc layered structure at least up to 100 GPa and to increasingly resist lubric layer sliding under pressure. Similar to metallized MoS2, they are predicted to exhibit a low density of states at the Fermi level, and presumably very modest superconducting temperatures, if any. We also study the β-MoTe2 structure, metastable with a higher enthalpy than 2Hc-MoTe2. Despite its ready semimetallic and (weakly) superconducting character already at zero pressure, metallicity is not expected to increase dramatically with pressure.

  5. Nanometer Scale Phase Separation and Chemical Inhomogeneity in the Iron Chalcogenide Superconductor Fe1+y Te x Se 1-x

    NASA Astrophysics Data System (ADS)

    Hu, Hefei; Zuo, Jian-Min; Wen, Jinsheng; Xu, Zhijun; Lin, Zhiwei; Li, Qiang; Gu, Genda; Park, Wan Kyu; Greene, Laura

    2011-03-01

    We report direct evidences of phase separation and chemical inhomogeneity in Fe 1+y Te x Se 1-x single crystals from scanning transmission electron microscopy (STEM) and electron energy loss spectroscopy (EELS). In STEM, images recorded using an annular dark field (ADF) detector show characteristic nanometer scale patterns of phase separation from the Z dependent contrast. The separation was observed in both non-superconducting samples with excess iron as well as superconducting samples. Using the line scan EELS technique, we determined ~ 20 % , or less, fluctuation in Te concentration from the local average compositions by integrating the intensity of the Te-M4 , 5 edge. The energy-loss near-edge structure (ELNES) of the Fe-L2 , 3 edge changes as the composition varies, especially the L3 and L2 ratio, which is sensitive to the d-state occupancy of the Fe atom. The results suggest a miscibility gap in the Fe 1+y Te x Se 1-x system and changes in the d-electron states at the nanometer scale from the separated phases.

  6. Enhanced power factor and high-pressure effects in (Bi,Sb){sub 2}(Te,Se){sub 3} thermoelectrics

    SciTech Connect

    Ovsyannikov, Sergey V. E-mail: sergey2503@gmail.com; Morozova, Natalia V.; Korobeinikov, Igor V.; Vokhmyanin, Alexander P.; Shchennikov, Vladimir V.; Lukyanova, Lidia N.; Usov, Oleg A.; Kutasov, Vsevolod A.; Manakov, Andrey Y.; Likhacheva, Anna Y.; Ancharov, Alexey I.; Berger, Ivan F.; Kulbachinskii, Vladimir A.; Okada, Taku

    2015-04-06

    We investigated the effects of applied high pressure on thermoelectric, electric, structural, and optical properties of single-crystalline thermoelectrics, Bi{sub 2}Te{sub 3}, Bi{sub x}Sb{sub 2−x}Te{sub 3} (x = 0.4, 0.5, 0.6), and Bi{sub 2}Te{sub 2.73}Se{sub 0.27} with the high thermoelectric performance. We established that moderate pressure of about 2–4 GPa can greatly enhance the thermoelectric power factor of all of them. X-ray diffraction and Raman studies on Bi{sub 2}Te{sub 3} and Bi{sub 0.5}Sb{sub 1.5}Te{sub 3} found anomalies at similar pressures, indicating a link between crystal structure deformation and physical properties. We speculate about possible mechanisms of the power factor enhancement and suppose that pressure/stress tuning can be an effective tool for the optimization of the thermoelectric performance.

  7. New layered structures of cuprous chalcogenides as thin film solar cell materials: Cu2Te and Cu2Se.

    PubMed

    Nguyen, Manh Cuong; Choi, Jin-Ho; Zhao, Xin; Wang, Cai-Zhuang; Zhang, Zhenyu; Ho, Kai-Ming

    2013-10-18

    The stable crystal structures of two cuprous chalcogenides of Cu2X (X=Te or Se) are predicted using an adaptive genetic algorithm in combination with first-principles density functional theory calculations. Both systems are found to prefer a unique and previously unrecognized layered structure, with the total energies much lower than all structures proposed in the literature so far. The newly discovered structures are further shown to be dynamically and mechanically stable, and possess electronic properties consistent with existing experimental observations. In particular, their layered nature is expected to prevail over other structural forms at the interfaces of thin-film solar cells, and knowledge about the precise atomic structures of the interfaces is a prerequisite for achieving long-term stability and high efficiency of CdTe and Cu(In,Ga)Se2 solar cells.

  8. Temperature and frequency dependence of AC conductivity of new quaternary Se-Te-Bi-Pb chalcogenide glasses

    NASA Astrophysics Data System (ADS)

    Yadav, Preeti; Sharma, Ambika

    2016-05-01

    The aim of the present work is to study the temperature and frequency dependence of ac conductivity of new quaternary Se84-xTe15Bi1.0Pbx chalcogenide glasses. The Se84-xTe15Bi1.0Pbx (x = 2, 6) glassy alloys are prepared by using melt quenching technique. The temperature and frequency dependent behavior of ac conductivity σac(ω) has been carried out in the frequency range 42 Hz to 5 MHz and in the temperature range of 298-323 K below glass transition temperature. The behavior of ac conductivity is described in terms of the power law ωs. The obtained temperature dependence behavior of ac conductivity and frequency component (s) are explained by means of correlated barrier hopping model recommended by Elliot.

  9. Effect of thermal annealing on structure and optical band gap of amorphous Se72Te25Sb3 thin films

    NASA Astrophysics Data System (ADS)

    Dwivedi, D. K.; Pathak, H. P.; Kumar, Vipin; Shukla, Nitesh

    2014-04-01

    Thin films of a-Se72Te25Sb3 were prepared by vacuum evaporation technique in a base pressure of 10-6 Torr on to well cleaned glass substrate. a-Se72Te25Sb3 thin films were annealed at different temperatures below their crystallization temperatures for 2h. The structural analysis of the films has been investigated using X-ray diffraction technique. The optical band gap of as prepared and annealed films as a function of photon energy in the wavelength range 400-1100 nm has been studied. It has been found that the optical band gap decreases with increasing annealing temperatures in the present system.

  10. Defect induced negative magnetoresistance and surface state immunity in topological insulator BiSbTeSe2

    NASA Astrophysics Data System (ADS)

    Banerjee, Karan; Son, Jaesung; Deorani, Praveen; Ren, Peng; Wang, Lan; Yang, Hyunsoo

    2015-03-01

    The absence of backscattering due to time reversal symmetry is one of the hallmark features of a topological insulator. However, the introduction of defects can result in diminishing the transport properties of topological insulators. In this work, we introduce defects into the topological insulator BiSbTeSe2 by subjecting it to ion milling and study the effect of disorder on the transport properties. We find that a negative contribution arises in the magnetoresistance of BiSbTeSe2 at low temperatures. However, the surface state remains remarkably robust to the introduction of disorder. We demonstrate that the negative magnetoresistance originates from an increase in the density of defect states created by the introduction of disorder. We also find the bulk contribution to remain negligible even after subjecting to ion milling.

  11. Anisotropy in upper critical field of FeTe{sub 0.55}Se{sub 0.45}

    SciTech Connect

    Shruti,; Sharma, G.; Patnaik, S.

    2015-06-24

    The anisotropic properties of FeTe{sub 0.55}Se{sub 0.45} single crystals are studied using transport measurements. FeTe{sub 0.55}Se{sub 0.45} shows onset superconducting transition at 14.2 K. The data measured on single crystals give a high upper critical field H{sub c2}(0) equal to 93.95 T and 67.32 T for magnetic field applied perpendicular and parallel to c axis of the sample respectively. Corresponding electronic anisotropy is estimated to be γ∼1.4 and Ginzburg-Landau coherence lengths are ξ{sub ab}=22.12 Å and ξ{sub c}=15.8 Å. Temperature and field dependent specific heat data are also reported.

  12. Multiple Layer BeSeTe/Si Heteroepitaxial Growth on Vicinal Si (100) Surfaces by Molecular Beam Epitaxy

    NASA Astrophysics Data System (ADS)

    Maldonado, Eduardo; Clark, Kevin; Basit, Nasir; Sandu, Titus; Bate, Robert; Kirk, Wiley

    2003-03-01

    The epitaxial growth of multiple layers of BeSeTe/Si films on arsenic passivated vicinal Si (100) substrates is reported. These are interesting wide bandgap heterostructures that are lattice matched to silicon. Reflection high-energy electron diffraction (RHEED) was used to investigate the entire growth regime and to optimize the initial growth conditions, which is important for reducing interface defects. Atomic layer epitaxy (ALE) was used as a growth method. Transmission electron microscopy (TEM) showed epitaxial growth with no crystal defects. Residual gas analyzer (RGA) was used for desorption studies and helped to determine that chemical interactions between VI-group and Si limit the interface quality. Rutherford backscattering spectroscopy (RBS) corroborate the lattice match between BeSe_0.41Te_0.59 and Si.

  13. Accuracy of existing atomic potentials for the CdTe semiconductor compound.

    PubMed

    Ward, D K; Zhou, X W; Wong, B M; Doty, F P; Zimmerman, J A

    2011-06-28

    CdTe and CdTe-based Cd(1-x)Zn(x)Te (CZT) alloys are important semiconductor compounds that are used in a variety of technologies including solar cells, radiation detectors, and medical imaging devices. Performance of such systems, however, is limited due to the propensity of nano- and micro-scale defects that form during crystal growth and manufacturing processes. Molecular dynamics simulations offer an effective approach to study the formation and interaction of atomic scale defects in these crystals, and provide insight on how to minimize their concentrations. The success of such a modeling effort relies on the accuracy and transferability of the underlying interatomic potential used in simulations. Such a potential must not only predict a correct trend of structures and energies of a variety of elemental and compound lattices, defects, and surfaces but also capture correct melting behavior and should be capable of simulating crystalline growth during vapor deposition as these processes sample a variety of local configurations. In this paper, we perform a detailed evaluation of the performance of two literature potentials for CdTe, one having the Stillinger-Weber form and the other possessing the Tersoff form. We examine simulations of structures and the corresponding energies of a variety of elemental and compound lattices, defects, and surfaces compared to those obtained from ab initio calculations and experiments. We also perform melting temperature calculations and vapor deposition simulations. Our calculations show that the Stillinger-Weber parameterization produces the correct lowest energy structure. This potential, however, is not sufficiently transferrable for defect studies. Origins of the problems of these potentials are discussed and insights leading to the development of a more transferrable potential suitable for molecular dynamics simulations of defects in CdTe crystals are provided.

  14. Accuracy of existing atomic potentials for the CdTe semiconductor compound

    NASA Astrophysics Data System (ADS)

    Ward, D. K.; Zhou, X. W.; Wong, B. M.; Doty, F. P.; Zimmerman, J. A.

    2011-06-01

    CdTe and CdTe-based Cd1-xZnxTe (CZT) alloys are important semiconductor compounds that are used in a variety of technologies including solar cells, radiation detectors, and medical imaging devices. Performance of such systems, however, is limited due to the propensity of nano- and micro-scale defects that form during crystal growth and manufacturing processes. Molecular dynamics simulations offer an effective approach to study the formation and interaction of atomic scale defects in these crystals, and provide insight on how to minimize their concentrations. The success of such a modeling effort relies on the accuracy and transferability of the underlying interatomic potential used in simulations. Such a potential must not only predict a correct trend of structures and energies of a variety of elemental and compound lattices, defects, and surfaces but also capture correct melting behavior and should be capable of simulating crystalline growth during vapor deposition as these processes sample a variety of local configurations. In this paper, we perform a detailed evaluation of the performance of two literature potentials for CdTe, one having the Stillinger-Weber form and the other possessing the Tersoff form. We examine simulations of structures and the corresponding energies of a variety of elemental and compound lattices, defects, and surfaces compared to those obtained from ab initio calculations and experiments. We also perform melting temperature calculations and vapor deposition simulations. Our calculations show that the Stillinger-Weber parameterization produces the correct lowest energy structure. This potential, however, is not sufficiently transferrable for defect studies. Origins of the problems of these potentials are discussed and insights leading to the development of a more transferrable potential suitable for molecular dynamics simulations of defects in CdTe crystals are provided.

  15. Ideal Weyl Semimetals in the Chalcopyrites CuTlSe2 , AgTlTe2 , AuTlTe2 , and ZnPbAs2

    NASA Astrophysics Data System (ADS)

    Ruan, Jiawei; Jian, Shao-Kai; Zhang, Dongqin; Yao, Hong; Zhang, Haijun; Zhang, Shou-Cheng; Xing, Dingyu

    2016-06-01

    Weyl semimetals are new states of matter which feature novel Fermi arcs and exotic transport phenomena. Based on first-principles calculations, we report that the chalcopyrites CuTlSe2 , AgTlTe2 , AuTlTe2 , and ZnPbAs2 are ideal Weyl semimetals, having largely separated Weyl points (˜0.05 Å-1 ) and uncovered Fermi arcs that are amenable to experimental detections. We also construct a minimal effective model to capture the low-energy physics of this class of Weyl semimetals. Our discovery is a major step toward a perfect playground of intriguing Weyl semimetals and potential applications for low-power and high-speed electronics.

  16. Ideal Weyl Semimetals in the Chalcopyrites CuTlSe_{2}, AgTlTe_{2}, AuTlTe_{2}, and ZnPbAs_{2}.

    PubMed

    Ruan, Jiawei; Jian, Shao-Kai; Zhang, Dongqin; Yao, Hong; Zhang, Haijun; Zhang, Shou-Cheng; Xing, Dingyu

    2016-06-01

    Weyl semimetals are new states of matter which feature novel Fermi arcs and exotic transport phenomena. Based on first-principles calculations, we report that the chalcopyrites CuTlSe_{2}, AgTlTe_{2}, AuTlTe_{2}, and ZnPbAs_{2} are ideal Weyl semimetals, having largely separated Weyl points (∼0.05  Å^{-1}) and uncovered Fermi arcs that are amenable to experimental detections. We also construct a minimal effective model to capture the low-energy physics of this class of Weyl semimetals. Our discovery is a major step toward a perfect playground of intriguing Weyl semimetals and potential applications for low-power and high-speed electronics. PMID:27314733

  17. Tuning the composition of ternary Bi2Se3xTe3(1-x) nanoplates and their Raman scattering investigations

    NASA Astrophysics Data System (ADS)

    Wu, Peng; Chen, Haiping; Yang, Chao; Gan, Wei; Muhammad, Zahir; Song, Li

    2016-07-01

    We present the composition engineering and Raman scattering study of Bi2Se3xTe3(1-x) nanoplates that were synthesized by chemical vapor deposition method using different substrates, including fluorophlogopite mica, SiO2/Si. The characterizations revealed high crystallinity and layered-structure in the ternary Bi2Se3xTe3(1-x) products. Raman spectra of Bi2Se3xTe3(1-x) ranging from 80-200 cm-1 as a function of different Se-doping levels shows that intrinsic Raman peaks of Bi2Se3xTe3(1-x) nanoplates shift to higher frequency as the ratio of doped-Se increasing. The discontinuity of Raman peaks was found and discussed.

  18. Thin-film CdTe and CuInSe{sub 2} photovoltaic technologies

    SciTech Connect

    Ullal, H S; Zweibel, K; von Roedern, B G

    1993-08-01

    Total-area conversion efficiency of 15%--15.8% have been achieved for thin-film CdTe and CIS solar cells. Modules with power output of 5--53 W have been demonstrated by several groups world-wide. Critical processes and reaction pathways for achieving excellent PV devices have been eluciated. Research, development and technical issues have been identified, which could result in potential improvements in device and module performance. A 1-kW thin-film CdTe array has been installed and is being tested. Multimegawatt thin-film CdTe manufacturing plants are expected to be completed in 1-2 years.

  19. Expanding the Repertoire of Molecular Linkages to Silicon: Si-S, Si-Se, and Si-Te Bonds.

    PubMed

    Hu, Minjia; Liu, Fenglin; Buriak, Jillian M

    2016-05-01

    Silicon is the foundation of the electronics industry and is now the basis for a myriad of new hybrid electronics applications, including sensing, silicon nanoparticle-based imaging and light emission, photonics, and applications in solar fuels, among others. From interfacing of biological materials to molecular electronics, the nature of the chemical bond plays important roles in electrical transport and can have profound effects on the electronics of the underlying silicon itself, affecting its work function, among other things. This work describes the chemistry to produce ≡Si-E bonds (E = S, Se, and Te) through very fast microwave heating (10-15 s) and direct thermal heating (hot plate, 2 min) through the reaction of hydrogen-terminated silicon surfaces with dialkyl or diaryl dichalcogenides. The chemistry produces surface-bound ≡Si-SR, ≡Si-SeR, and ≡Si-TeR groups. Although the interfacing of molecules through ≡Si-SR and ≡Si-SeR bonds is known, to the best of our knowledge, the heavier chalcogenide variant, ≡Si-TeR, has not been described previously. The identity of the surface groups was determined by Fourier transform infrared (FTIR) spectroscopy, X-ray photoelectron spectroscopy (XPS), and depth profiling with time-of-flight-secondary ionization mass spectrometry (ToF-SIMS). Possible mechanisms are outlined, and the most likely, based upon parallels with well-established molecular literature, involve surface silyl radicals or dangling bonds that react with either the alkyl or aryl dichalcogenide directly, REER, or its homolysis product, the alkyl or aryl chalcogenyl radical, RE· (where E = S, Se, and Te). PMID:27055056

  20. Expanding the Repertoire of Molecular Linkages to Silicon: Si-S, Si-Se, and Si-Te Bonds.

    PubMed

    Hu, Minjia; Liu, Fenglin; Buriak, Jillian M

    2016-05-01

    Silicon is the foundation of the electronics industry and is now the basis for a myriad of new hybrid electronics applications, including sensing, silicon nanoparticle-based imaging and light emission, photonics, and applications in solar fuels, among others. From interfacing of biological materials to molecular electronics, the nature of the chemical bond plays important roles in electrical transport and can have profound effects on the electronics of the underlying silicon itself, affecting its work function, among other things. This work describes the chemistry to produce ≡Si-E bonds (E = S, Se, and Te) through very fast microwave heating (10-15 s) and direct thermal heating (hot plate, 2 min) through the reaction of hydrogen-terminated silicon surfaces with dialkyl or diaryl dichalcogenides. The chemistry produces surface-bound ≡Si-SR, ≡Si-SeR, and ≡Si-TeR groups. Although the interfacing of molecules through ≡Si-SR and ≡Si-SeR bonds is known, to the best of our knowledge, the heavier chalcogenide variant, ≡Si-TeR, has not been described previously. The identity of the surface groups was determined by Fourier transform infrared (FTIR) spectroscopy, X-ray photoelectron spectroscopy (XPS), and depth profiling with time-of-flight-secondary ionization mass spectrometry (ToF-SIMS). Possible mechanisms are outlined, and the most likely, based upon parallels with well-established molecular literature, involve surface silyl radicals or dangling bonds that react with either the alkyl or aryl dichalcogenide directly, REER, or its homolysis product, the alkyl or aryl chalcogenyl radical, RE· (where E = S, Se, and Te).

  1. Optic phonon bandwidth and lattice thermal conductivity: The case of L i2X (X =O , S, Se, Te)

    NASA Astrophysics Data System (ADS)

    Mukhopadhyay, S.; Lindsay, L.; Parker, D. S.

    2016-06-01

    We examine the lattice thermal conductivities (κl) of L i2X (X =O ,S ,Se ,Te ) using a first-principles Peierls-Boltzmann transport methodology. We find low κl values ranging between 12 and 30 W m-1K-1 despite light Li atoms, a large mass difference between constituent atoms, and tightly bunched acoustic branches, all features that give high κl in other materials including BeSe (630 W m-1K-1 ), BeTe (370 W m-1K-1 ), and cubic BAs (3170 W m-1K-1 ). Together these results suggest a missing ingredient in the basic guidelines commonly used to understand and predict κl. Unlike typical simple systems (e.g., Si, GaAs, SiC), the dominant resistance to heat-carrying acoustic phonons in L i2Se and L i2Te comes from interactions of these modes with two optic phonons. These interactions require significant bandwidth and dispersion of the optic branches, both present in L i2X materials. These considerations are important for the discovery and design of new materials for thermal management applications and give a more comprehensive understanding of thermal transport in crystalline solids.

  2. Two-dimensional topological insulators with tunable band gaps: Single-layer HgTe and HgSe.

    PubMed

    Li, Jin; He, Chaoyu; Meng, Lijun; Xiao, Huaping; Tang, Chao; Wei, Xiaolin; Kim, Jinwoong; Kioussis, Nicholas; Stocks, G Malcolm; Zhong, Jianxin

    2015-09-14

    Two-dimensional (2D) topological insulators (TIs) with large band gaps are of great importance for the future applications of quantum spin Hall (QSH) effect. Employing ab initio electronic calculations we propose a novel type of 2D topological insulators, the monolayer (ML) low-buckled (LB) mercury telluride (HgTe) and mercury selenide (HgSe), with tunable band gap. We demonstrate that LB HgTe (HgSe) monolayers undergo a trivial insulator to topological insulator transition under in-plane tensile strain of 2.6% (3.1%) due to the combination of the strain and the spin orbital coupling (SOC) effects. Furthermore, the band gaps can be tuned up to large values (0.2 eV for HgTe and 0.05 eV for HgSe) by tensile strain, which far exceed those of current experimentally realized 2D quantum spin Hall insulators. Our results suggest a new type of material suitable for practical applications of 2D TI at room-temperature.

  3. Two-dimensional topological insulators with tunable band gaps: Single-layer HgTe and HgSe

    DOE PAGES

    Li, Jin; He, Chaoyu; Meng, Lijun; Xiao, Huaping; Tang, Chao; Wei, Xiaolin; Kim, Jinwoong; Kioussis, Nicholas; Stocks, G. Malcolm; Zhong, Jianxin

    2015-09-14

    Here, we report that two-dimensional (2D) topological insulators (TIs) with large band gaps are of great importance for the future applications of quantum spin Hall (QSH) effect. Employing ab initio electronic calculations we propose a novel type of 2D topological insulators, the monolayer (ML) low-buckled (LB) mercury telluride (HgTe) and mercury selenide (HgSe), with tunable band gap. We demonstrate that LB HgTe (HgSe) monolayers undergo a trivial insulator to topological insulator transition under in-plane tensile strain of 2.6% (3.1%) due to the combination of the strain and the spin orbital coupling (SOC) effects. Furthermore, the band gaps can be tunedmore » up to large values (0.2 eV for HgTe and 0.05 eV for HgSe) by tensile strain, which far exceed those of current experimentally realized 2D quantum spin Hall insulators. Our results suggest a new type of material suitable for practical applications of 2D TI at room-temperature.« less

  4. Two-dimensional topological insulators with tunable band gaps: Single-layer HgTe and HgSe

    SciTech Connect

    Li, Jin; He, Chaoyu; Meng, Lijun; Xiao, Huaping; Tang, Chao; Wei, Xiaolin; Kim, Jinwoong; Kioussis, Nicholas; Stocks, G. Malcolm; Zhong, Jianxin

    2015-09-14

    Here, we report that two-dimensional (2D) topological insulators (TIs) with large band gaps are of great importance for the future applications of quantum spin Hall (QSH) effect. Employing ab initio electronic calculations we propose a novel type of 2D topological insulators, the monolayer (ML) low-buckled (LB) mercury telluride (HgTe) and mercury selenide (HgSe), with tunable band gap. We demonstrate that LB HgTe (HgSe) monolayers undergo a trivial insulator to topological insulator transition under in-plane tensile strain of 2.6% (3.1%) due to the combination of the strain and the spin orbital coupling (SOC) effects. Furthermore, the band gaps can be tuned up to large values (0.2 eV for HgTe and 0.05 eV for HgSe) by tensile strain, which far exceed those of current experimentally realized 2D quantum spin Hall insulators. Our results suggest a new type of material suitable for practical applications of 2D TI at room-temperature.

  5. Effects of annealing, acid and alcoholic beverages on Fe1+yTe0.6Se0.4

    NASA Astrophysics Data System (ADS)

    Sun, Y.; Taen, T.; Tsuchiya, Y.; Shi, Z. X.; Tamegai, T.

    2013-01-01

    We have systematically investigated and compared different methods to induce superconductivity in the iron chalcogenide Fe1+yTe0.6Se0.4, including annealing in a vacuum, N2, O2 and I2 atmospheres and immersing samples into acid and alcoholic beverages. Vacuum and N2 annealing are proved to be ineffective in inducing superconductivity in a Fe1+yTe0.6Se0.4 single crystal. Annealing in O2 and I2 and immersion in acid and alcoholic beverages can induce superconductivity by oxidizing the excess Fe in the sample. Superconductivity in O2 annealed samples is of a bulk nature, while I2, acid and alcoholic beverages can only induce superconductivity near the surface. By comparing the different effects of O2, I2, acid and alcoholic beverages we propose a scenario to explain how the superconductivity is induced in the non-superconducting as-grown Fe1+yTe0.6Se0.4.

  6. First principles lattice thermal conductivity of Li2Se, Li2Te and alloys: phase space guidelines for thermal transport

    NASA Astrophysics Data System (ADS)

    Lindsay, Lucas; Mukhopadhyay, Saikat; Parker, David

    The lattice thermal conductivities (k) of Li2Se, Li2Te and alloys are examined using a first-principles Peierls-Boltzmann transport methodology. The dominant resistance to heat-carrying acoustic phonons in Li2Se and Li2Te comes from the interactions of these modes with two optic phonons, aoo scattering. In typical cubic and hexagonal materials (e . g . , Si, GaAs, AlN) aoo scattering does not play a considerable role in determining k, as it requires significant bandwidth and dispersion of the optic phonon branches, both present in Li2Se and Li2Te. We discuss how these properties and other features of the phonon dispersion (e . g . , bunching of the acoustic branches and an acoustic-optic frequency gap) combine to determine the overall conductivity of a material. Thus, microscopic scattering phase space arguments are generalized to give a more comprehensive view of intrinsic thermal transport in crystalline solids. We note that these general considerations are important for the discovery and design of new `high k' and `low k' materials for thermal management applications. L. L., S. M. and D. S. P. acknowledge support from the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division.

  7. Solid state synthesis and characterization of bulk FeTe0.5Se0.5 superconductors

    NASA Astrophysics Data System (ADS)

    Onar, K.; Yakinci, M. E.

    2016-01-01

    FeTe0.5Se0.5 polycrystalline superconductor samples were synthesized by solid- state reaction method at different heating temperatures. The morphological and structural characterization of FeTe0 5Se0.5 samples were carried out by X-rays Diffraction, Scanning Electron Microscope and Energy Dispersive X-ray Spectroscopy. The electrical, magnetic and thermal transport properties were investigated up to 8 T by using physical property measurement system. The results reveal that the sensitivity of electrical and magnetic properties strongly depends on the heat treatment cycles. The upper critical field, Hc2(0), was determined with the magnetic field parallel to the sample surface. It gives a maximum value of 36.3 T. The lower critical field, Hc1(T), was obtained as 210, 140 and 70 Oe at 5, 8 and 12 K, respectively. The coherence length, ξ, at the zero field, was calculated to be 1.94 nm and suggested a transparent intergrain boundaries peculiarity. The μ0Hc2(0)/kBTc rate shows higher value (3.36 T/K) than the Pauli limit (1.84 T/K) which suggests unconventional nature of superconductivity for the polycrystalline FeTe0.5Se0.5 superconducting samples.

  8. Two-dimensional topological insulators with tunable band gaps: Single-layer HgTe and HgSe

    PubMed Central

    Li, Jin; He, Chaoyu; Meng, Lijun; Xiao, Huaping; Tang, Chao; Wei, Xiaolin; Kim, Jinwoong; Kioussis, Nicholas; Malcolm Stocks, G.; Zhong, Jianxin

    2015-01-01

    Two-dimensional (2D) topological insulators (TIs) with large band gaps are of great importance for the future applications of quantum spin Hall (QSH) effect. Employing ab initio electronic calculations we propose a novel type of 2D topological insulators, the monolayer (ML) low-buckled (LB) mercury telluride (HgTe) and mercury selenide (HgSe), with tunable band gap. We demonstrate that LB HgTe (HgSe) monolayers undergo a trivial insulator to topological insulator transition under in-plane tensile strain of 2.6% (3.1%) due to the combination of the strain and the spin orbital coupling (SOC) effects. Furthermore, the band gaps can be tuned up to large values (0.2 eV for HgTe and 0.05 eV for HgSe) by tensile strain, which far exceed those of current experimentally realized 2D quantum spin Hall insulators. Our results suggest a new type of material suitable for practical applications of 2D TI at room-temperature. PMID:26365502

  9. Optic phonon bandwidth and lattice thermal conductivity: The case of Li2X ( X=O , S, Se, Te)

    DOE PAGES

    Mukhopadhyay, S.; Lindsay, L.; Parker, D. S.

    2016-06-07

    Here, we examine the lattice thermal conductivities ( l) of Li2X (X=O, S, Se, Te) using a first-principles Peierls-Boltzmann transport methodology. We find low l values ranging between 12 and 30 W/m-K despite light Li atoms, a large mass difference between constituent atoms and tightly bunched acoustic branches, all features that give high l in other materials including BeSe (630 W/m-1K-1), BeTe (370 W/m-1K-1) and cubic BAs (3150 W/m-1K-1). Together these results suggest a missing ingredient in the basic guidelines commonly used to understand and predict l. Unlike typical simple systems (e.g., Si, GaAs, SiC), the dominant resistance to heat-carryingmore » acoustic phonons in Li2Se and Li2Te comes from interactions of these modes with two optic phonons. These interactions require significant bandwidth and dispersion of the optic branches, both present in Li2X materials. Finally, these considerations are important for the discovery and design of new materials for thermal management applications, and give a more comprehensive understanding of thermal transport in crystalline solids.« less

  10. Element substitution from substrates in Bi2Se3, Bi2Te3 and Sb2Te3 overlayers deposited by hot wall epitaxy

    NASA Astrophysics Data System (ADS)

    Takagaki, Y.; Jahn, U.; Jenichen, B.; Berlin, K.; Kong, X.; Biermann, K.

    2014-09-01

    In depositing Bi2Se3, Bi2Te3 or Sb2Te3 layers on certain substrates by hot wall epitaxy, the Bi and Sb atoms in the layers are replaced by the atoms supplied from the substrates. We extend our exploration on this substitution phenomenon for a number of combinations of the layer and the substrate to infer the factors that determine the occurrence of the substitution. Using a series of Ga- and In-based III-V substrates, it is evidenced that the group III atoms substitute the group V overlayer atoms when the bonds in the substrates are weak. We demonstrate that Ag triggers the substitution more effectively than Cu as a catalyst. The competition between the catalyst-induced substitutions on ternary alloy substrates shows that the dependence on the bond strength is not as strong as to be exclusive. Additionally, defectiveness around the interface between a semicoherently grown α-In2Se3 layer produced by the substitution and the InAs substrate is demonstrated. The cathodeluminescence properties are also provided focusing on the dependence on the phase of In2Se3.

  11. Radical cations of aromatic selenium compounds: role of Se···X nonbonding interactions.

    PubMed

    Singh, Beena G; Thomas, Elizabeth; Sawant, Shilpa N; Takahashi, Kohei; Dedachi, Kenchi; Iwaoka, Michio; Priyadarsini, K Indira

    2013-09-26

    Selenium centered radical cations in aliphatic selenium compounds are stabilized by formation of two-center-three electron (2c-3e) hemi bonds either with nearby heteroatoms forming monomer radicals or with selenium atoms of the parent molecules forming dimer radicals. Such radicals in aromatic selenium compounds would generally be stabilized as monomers by the delocalization of the spin density along the aromatic ring. To test the assumption if aromatic selenides having Se···X nonbonding interactions can show different types of radical cations, we have performed pulse radiolysis studies of three structurally related aromatic selenium compounds and the results have been substantiated with cyclic voltammetry and quantum chemical calculations. The three aromatic selenium compounds have functional groups like -CH2N(CH3)2 (1), -CH2OH (2), and -CH3 (3) at ortho position to the -SeCH3 moiety. The energy of Se···X nonbonding interactions (E(nb)) for these compounds is in the order 1 (Se···N) > 2 (Se···O) > 3 (Se···H). Radical cations, 1(•+), 2(•+) and 3(•+) were produced by the one-electron oxidation of 1, 2 and 3 by radiolytically generated (•)OH and Br2(•-) radicals. Results on transient spectra, lifetime, and secondary reactions of 1(•+), 2(•+), and 3(•+) indicated that 1(•+) shows a significantly different absorption spectrum, longer lifetime, and less oxidizing power compared to those of 2(•+) or 3(•+). Quantum chemical calculations suggested that 1(•+) is stabilized by the formation of a 2c-3e bond between Se and N atoms, whereas 2(•+) and 3(•+) acquire stability through the delocalization of the spin density on the aromatic ring. These results provide evidence for the first time that stronger nonbonding interactions between Se···N in the ground state, facilitate the formation of stabilized radical cations, which can significantly influence the redox chemistry and the biological activity of aromatic selenium compounds.

  12. Synthesis, structure, and characterization of two new bismuth(III) selenite/tellurite nitrates: [(Bi3O2)(SeO3)2](NO3) and [Bi(TeO3)](NO3)

    NASA Astrophysics Data System (ADS)

    Meng, Chang-Yu; Wei, Ming-Fang; Geng, Lei; Hu, Pei-Qing; Yu, Meng-Xia; Cheng, Wen-Dan

    2016-07-01

    Two new bismuth(III) selenite/tellurite nitrates, [(Bi3O2)(SeO3)2](NO3) and [Bi(TeO3)](NO3), have been synthesized by conventional facile hydrothermal method at middle temperature 200 °C and characterized by single-crystal X-ray diffraction, powder diffraction, UV-vis-NIR optical absorption spectrum, infrared spectrum and thermal analylsis. Both [(Bi3O2)(SeO3)2](NO3) and [Bi(TeO3)](NO3) crystallize in the monoclinic centronsymmetric space group P21/c with a=9.9403(4) Å, b=9.6857(4) Å, c=10.6864(5) Å, β=93.1150(10)° for [(Bi3O2)(SeO3)2](NO3) and a=8.1489(3) Å, b=9.0663(4) Å, c=7.4729(3) Å, β=114.899(2)° for Bi(TeO3)(NO3), respectively. The two compounds, whose structures are composed of three different asymmetric building units, exhibit two different types of structures. The structure of [(Bi3O2)(SeO3)2](NO3) features a three-dimensional (3D) bismuth(III) selenite cationic tunnel structure [(Bi3O2)(SeO3)2] 3∞ with NO3- anion group filling in the 1D tunnel along b axis. The structure of [Bi(TeO3)](NO3) features 2D bismuth(III) tellurite [Bi(TeO3)2]2∞ layers separated by NO3- anion groups. The results of optical diffuse-reflectance spectrum measurements and electronic structure calculations based on density functional theory methods show that the two compounds are wide band-gap semiconductors.

  13. Cadmium amido alkoxide and alkoxide precursors for the synthesis of nanocrystalline CdE (E=S,Se, Te).

    SciTech Connect

    Boyle, Timothy J.; Avilucea, Gabriel; Bunge, Scott D.; Alam, Todd Michael; Headley, Thomas Jeffrey; Holland, Gregory P.

    2004-12-01

    The synthesis and characterization of a family of alternative precursors for the production of CdE nanoparticles (E = S, Se, and Te) is reported. The reaction of Cd(NR{sub 2}){sub 2} where NR{sub 2} = N(SiMe{sub 3}){sub 2} with n HOR led to the isolation of the following: n = 1 [Cd({mu}-OCH{sub 2}CMe{sub 3})(NR{sub 2})(py)]{sub 2} (1, py = pyridine), Cd[({mu}-OC{sub 6}H{sub 3}(Me){sub 2}-2,6){sub 2}Cd(NR{sub 2})(py)]{sub 2} (2), [Cd({mu}-OC{sub 6}H{sub 3}(CHMe{sub 2}){sub 2}-2,6)(NR{sub 2})(py)]{sub 2} (3), [Cd({mu}-OC{sub 6}H{sub 3}(CMe{sub 3}){sub 2}-2,6)(NR{sub 2})(py)]{sub 2} (4), [Cd({mu}-OC{sub 6}H{sub 2}(NH{sub 2}){sub 3}-2,4,6)(NR{sub 2})(py)]{sub 2} (5), and n = 2 [Cd({mu}-OC{sub 6}H{sub 3}(Me){sub 2}-2,6)(OC{sub 6}H{sub 3}(Me){sub 2}-2,6)(py){sub 2}]{sub 2} (6), and [Cd({mu}-OC{sub 6}H{sub 3}(CMe{sub 3}){sub 2}-2,6)(OC{sub 6}H{sub 3}(CMe{sub 3}){sub 2}-2,6)(THF)]{sub 2} (7). For all but 2, the X-ray crystal structures were solved as discrete dinuclear units bridged by alkoxide ligands and either terminal -NR{sub 2} or -OR ligands depending on the stoichiometry of the initial reaction. For 2, a trinuclear species was isolated using four {mu}-OR and two terminal -NR{sub 2} ligands. The coordination of the Cd metal center varied from 3 to 5 where the higher coordination numbers were achieved by binding Lewis basic solvents for the less sterically demanding ligands. These complexes were further characterized in solution by {sup 1}H, {sup 13}C, and {sup 113}Cd NMR along with solid-state {sup 113}Cd NMR spectroscopy. The utility of these complexes as 'alternative precursors' for the controlled preparation of nanocrystalline CdS, CdSe, and CdTe was explored. To synthesize CdE nanocrystals, select species from this family of compounds were individually heated in a coordinating solvent (trioctylphosphine oxide) and then injected with the appropriate chalcogenide stock solution. Transmission electron spectroscopy and UV-vis spectroscopy were used to characterize

  14. Superconducting properties of single crystalline FeTe{sub 1-x}Se{sub x} (x = 0, 0.15, 0.25, 0.35, 0.40 and 0.50)

    SciTech Connect

    Sudesh,; Kumar, R.; Varma, G. D.

    2015-06-24

    In this paper we have grown single crystalline samples of Se-doped FeTe compound using self-flux technique and studied the structural and electrical transport properties of the as-grown crystals. The samples have been grown with compositions FeTe{sub 1-x}Se{sub x} (x = 0, 0.15, 0.25, 0.35, 0.40 and 0.50). The as-grown samples are then investigated for their structural and superconducting properties by means of X-ray diffraction and physical property measurements. The XRD results of powdered samples reveal a single (tetragonal) phase with space group symmetry P4/nmm for all the samples. The lattice parameters are observed to reduce with increase of Se-doping at Te-site. Highest H{sub c2}(0) (∼180 T) value has been observed for FeTe{sub 0.5}Se{sub 0.5} sample.

  15. Structural and conductivity studies of CsK(SO{sub 4}){sub 0.32}(SeO{sub 4}){sub 0.68}Te(OH){sub 6}

    SciTech Connect

    Djemel, M.; Abdelhedi, M.; Dammak, M.; Kolsi, A.W.

    2012-12-15

    The compound CsK(SO{sub 4}){sub 0.32}(SeO{sub 4}){sub 0.68}Te(OH){sub 6} crystallizes in the monoclinic P2{sub 1}/n space group. It was analyzed, at room temperature, using X-ray diffractometer data. The main feature of these atomic arrangements is the coexistence of three and different anions (SO{sub 4}{sup 2-}, SeO{sub 4}{sup 2-} and TeO{sub 6}{sup 6-}groups) in the unit cell, connected by hydrogen bonds which make the building of the crystal. The thermal analysis of the title compound shows three distinct endothermal peaks at 435, 460 and 475 K. Complex impedance measurements are performed on this material as a function of both temperature and frequency. The electric conduction has been studied. The temperature dependence on the conductivity indicates that the sample became an ionic conductor at high temperature. - Graphical abstract: Projection of crystal structure CsK(SO{sub 4}){sub 0.32}(SeO{sub 4}){sub 0.68}Te(OH){sub 6} on the ab plane. Highlights: Black-Right-Pointing-Pointer We have studied the results of the crystal structure of the new mixed compound. Black-Right-Pointing-Pointer We have characterized the phase transition observed in DSC curve. Black-Right-Pointing-Pointer The protonic conduction in our material is probably due to a hopping mechanism.

  16. Highly sensitive and selective detection of phosphate using novel highly photoluminescent water-soluble Mn-doped ZnTe/ZnSe quantum dots.

    PubMed

    Song, Yu; Li, Yang; Liu, Yunling; Su, Xingguang; Ma, Qiang

    2015-11-01

    Herein, the facile method with high selectivity for phosphate ion (Pi) sensing using novel Type-II core/shell Mn: ZnTe/ZnSe quantum dots (QDs) was reported. This was the first time that Mn: ZnTe/ZnSe QDs with highlighted optical properties were used for sensing. The water-soluble Mn: ZnTe/ZnSe QDs with a high quantum yield of 7% were synthesized by aqueous synthetic method. Compared with traditional ZnSe QDs or Mn: ZnSe QDs, the smaller effective band gap, longer wavelength and lower ionization potential (high valence band edge) for effective hole localization made Type-II core/shell Mn: ZnTe/ZnSe QDs to be stable and had high photoluminescence (PL). Only Mg(2+) was found to be able to enhance Mn: ZnTe/ZnSe QDs PL selectively. The mechanism of fluorescence enhancement was attributed to the passivated surface nonradiative relaxation centers of Mn: ZnTe/ZnSe QDs. In the presence of Pi anion, the PL intensity got quenched due to the aggregation species of QDs via electrostatic attraction between Pi and Mg(2+) on the surface of Mn: ZnTe/ZnSe QDs. Therefore, the quenching effect can be used to detect Pi selectively. The PL was observed to be linearly proportional to the Pi analyte concentration in the range from 0.67 to 50.0 μmol/L, with a detection limit of 0.2μ mol/L (S/N=3). The novel "on-off" fluorescence nanosensor for Pi detection was sensitive and convenient in the real analysis application. The reported analytical method of Mn: ZnTe/ZnSe QDs is highly sensitive and selective, which can corroborate the extension of its usages in chemo/ biosensing and bioimaging.

  17. Highly sensitive and selective detection of phosphate using novel highly photoluminescent water-soluble Mn-doped ZnTe/ZnSe quantum dots.

    PubMed

    Song, Yu; Li, Yang; Liu, Yunling; Su, Xingguang; Ma, Qiang

    2015-11-01

    Herein, the facile method with high selectivity for phosphate ion (Pi) sensing using novel Type-II core/shell Mn: ZnTe/ZnSe quantum dots (QDs) was reported. This was the first time that Mn: ZnTe/ZnSe QDs with highlighted optical properties were used for sensing. The water-soluble Mn: ZnTe/ZnSe QDs with a high quantum yield of 7% were synthesized by aqueous synthetic method. Compared with traditional ZnSe QDs or Mn: ZnSe QDs, the smaller effective band gap, longer wavelength and lower ionization potential (high valence band edge) for effective hole localization made Type-II core/shell Mn: ZnTe/ZnSe QDs to be stable and had high photoluminescence (PL). Only Mg(2+) was found to be able to enhance Mn: ZnTe/ZnSe QDs PL selectively. The mechanism of fluorescence enhancement was attributed to the passivated surface nonradiative relaxation centers of Mn: ZnTe/ZnSe QDs. In the presence of Pi anion, the PL intensity got quenched due to the aggregation species of QDs via electrostatic attraction between Pi and Mg(2+) on the surface of Mn: ZnTe/ZnSe QDs. Therefore, the quenching effect can be used to detect Pi selectively. The PL was observed to be linearly proportional to the Pi analyte concentration in the range from 0.67 to 50.0 μmol/L, with a detection limit of 0.2μ mol/L (S/N=3). The novel "on-off" fluorescence nanosensor for Pi detection was sensitive and convenient in the real analysis application. The reported analytical method of Mn: ZnTe/ZnSe QDs is highly sensitive and selective, which can corroborate the extension of its usages in chemo/ biosensing and bioimaging. PMID:26452877

  18. Controllable Growth of Vertical Heterostructure GaTe(x)Se(1-x)/Si by Molecular Beam Epitaxy.

    PubMed

    Liu, Shanshan; Yuan, Xiang; Wang, Peng; Chen, Zhi-Gang; Tang, Lei; Zhang, Enze; Zhang, Cheng; Liu, Yanwen; Wang, Weiyi; Liu, Cong; Chen, Chen; Zou, Jin; Hu, Weida; Xiu, Faxian

    2015-08-25

    Two dimensional (2D) alloys, especially transition metal dichalcogenides, have attracted intense attention owing to their band-gap tunability and potential optoelectrical applications. Here, we report the controllable synthesis of wafer-scale, few-layer GaTexSe1-x alloys (0 ≤ x ≤ 1) by molecular beam epitaxy (MBE). We achieve a layer-by-layer growth mode with uniform distribution of Ga, Te, and Se elements across 2 in. wafers. Raman spectroscopy was carried out to explore the composition-dependent vibration frequency of phonons, which matches well with the modified random-element-isodisplacement model. Highly efficient photodiode arrays were also built by depositing few-layer GaTe0.64Se0.36 on n-type Si substrates. These p-n junctions have steady rectification characteristics with a rectifying ratio exceeding 300 and a high external quantum efficiency around 50%. We further measured more devices on MBE-grown GaTexSe1-x/Si heterostructures across the full range to explore the composition-dependent external quantum efficiency. Our study opens a new avenue for the controllable growth of 2D alloys with wafer-scale homogeneity, which is a prominent challenge in 2D material research.

  19. Non-Gaussian resistance noise in misfit layer compounds: Bi-Se-Cr

    NASA Astrophysics Data System (ADS)

    Peng, Lintao; Freedman, Alex; Clarke, Samantha; Freedman, Danna; Grayson, M.

    Misfit layer ternary compounds Bi-Se-Cr have been synthesized and structurally and magnetically characterized. However, the nature of the magnetic ordering below the transition temperature remains debatable between ferromagnetic and spin-glass. These misfit layer compounds consist of two alternating chalcogenide layers of CrSe2 and BiSe along the c-axis. Whereas the a-axis is lattice matched, the lattice mismatch along the b-axis introduces non-periodic modulation of atomic position leading to quasi-crystalline order along the b-axis alone. We explore unconventional electrical transport properties in the noise spectrum of these compounds. After thinning down the compounds to nanoscale, Van der Pauw devices are fabricated with standard electron beam lithography process. Large resistance noise was observed at temperature below the Cure temperature. The magnitude of resistance noise is much greater than trivial intrinsic noises like thermal Johnson noise and increases as temperature decreases. The probability density function of the relative noise shows 2-4 peaks among different observations which indicate strong non-Gaussian statistic property suggesting glassy behaviors in this material.

  20. The chemical fate of the Cd/Se/Te-based quantum dot 705 in the biological system: toxicity implications

    NASA Astrophysics Data System (ADS)

    Lin, Chia-Hua; Chang, Louis W.; Chang, Han; Yang, Mo-Hsiung; Yang, Chung-Shi; Lai, Wan-Hau; Chang, Wan-Hsuan; Lin, Pinpin

    2009-05-01

    QD705 is a cadmium/selenium/tellurium (Cd/Se/Te)-based quantum dot with good potential for biomedical applications. Although the biological fate of QD705 is established, its chemical fate in the biological system is still unknown. Since the chemical nature of Cd in QD705 (either stays as bounded Cd or becomes free Cd) is closely related to the toxicity of this nanocrystal, information on its chemical fate is critically needed. In this study we investigated the chemical fate of QD705 in the kidneys of mice. We used the molar ratio of Cd and Te (increased Cd/Te ratio signifies increased Cd release from QD705) and the induction of tissue metallothionein (MT) as markers for elevated free Cd in tissues. Our study indicated that 100% of QD705 (measured as Cd) was still retained in the body 16 weeks after exposure, with significant time redistribution to the kidneys. Furthermore, there were an elevation in both the molar Cd/Te ratio and MT-1 expression in the kidneys, suggesting that free Cd was released from QD705. Thus QD705 is not as stable or biologically inert as many may have once believed. Our study demonstrated that free Cd indeed can be released from QD705 in the kidneys and increases the risk of renal toxicity.

  1. Theoretical and experimental studies on wide-band-gap p-type conductive BaCuSeF and related compounds

    NASA Astrophysics Data System (ADS)

    Sakakima, Hiroshi; Nishitani, Mikihiko; Yamamoto, Koichi; Wada, Takahiro

    2015-08-01

    BaCuSeF and related compounds, MCuQF (M = Ba, Sr; Q = Se, S), are known to show p-type conduction. The formation energies of the Cu vacancy ΔH[VCu] in a MCuQF system were computed by first-principles calculation with a generalized gradient approximation (GGA) of the Perdew-Burke-Ernzerhof (PBE) functional as an electron exchange and correlation functional. The density of states (DOS) of BaCuSeF was calculated with the hybrid functional of Heyd-Scuseria-Ernzerhof (HSE) 06. ΔH[VCu] was found to be very small under both the Cu- and Q-rich conditions, which probably contributes to p-type conduction. The electronic structure of BaCuSeF was studied by X-ray photoelectron spectroscopy (XPS) with UV photoelectron yield spectroscopy (UVPYS) and photoemission yield spectroscopy (PYS). The determined depth of the top of the valence band relative to the vacuum level was about 4.9 eV. This value is desirable for applications in compound semiconductor thin-film tandem solar cells since the absorbers of polycrystalline thin-film solar cells, such as CdTe and Cu(In,Ga)Se2, are p-type semiconductors. The DOS of BaCuSeF calculated with the HSE06 functional was almost consistent with the XPS spectrum.

  2. Strain-induced giant second-harmonic generation in monolayered 2H-MoX2 (X = S, Se, Te)

    NASA Astrophysics Data System (ADS)

    Rhim, S. H.; Kim, Yong Soo; Freeman, A. J.

    2015-12-01

    Dynamic second-order nonlinear susceptibilities, χ(2)(2 ω,ω,ω)≡χ(2)(ω) , are calculated here within a fully first-principles scheme for monolayered molybdenum dichalcogenides, 2H-MoX2 (X = S, Se, and Te). The absolute values of χ(2)(ω) across the three chalcogens critically depend on the band gap energies upon uniform strain, yielding the highest χ(2)(0 )˜140 pm/V for MoTe2 in the static limit. Under this uniform in-plane stress, 2H-MoX2 can undergo direct-to-indirect transition of band gaps, which in turn substantially affects χ(2)(ω) . The tunability of χ(2)(ω) by either compressive or tensile strain is demonstrated especially for two important experimental wavelengths, 1064 nm and 800 nm, where resonantly enhanced non-linear effects can be exploited: χ(2) of MoSe2 and MoTe2 approach ˜800 pm/V with -2% strain at 1064 nm.

  3. Oxidation behavior of amorphous metallic Ni{sub 3}(SbTe{sub 3}){sub 2} compound

    SciTech Connect

    Jun, Jong-Ho; Jung, Jin-Seung . E-mail: jjscm@kangnung.ac.kr; Oh, Seung-Lim; Kim, Yong-Rok; Lee, Sung-Han; O'Connor, Charles J.

    2006-03-09

    Amorphous Ni{sub 3}(SbTe{sub 3}){sub 2} compound was prepared from a metathesis between Zintl phase K{sub 3}SbTe{sub 3} and NiBr{sub 2} in solution and its oxidation behavior was investigated in the temperature range of 200-700 deg. C in air. To characterize the sample, thermogravimetry (TG), X-ray powder diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive analysis by X-ray (EDAX) analyses were performed and electrical conductivity was measured as a function of temperature in the range of 25-800 deg. C in air. The specimen showed a metallic conducting-like behavior below 585 deg. C while a semiconducting-like behavior above 585 deg. C. At a first oxidation step of Ni{sub 3}(SbTe{sub 3}){sub 2} below 500 deg. C, TeO{sub 2} phase is formed. Above 500 deg. C, NiO phase is formed, then some NiO reacts with TeO{sub 2} to form NiTeO{sub 3} and NiSb{sub 2}O{sub 6} is simultaneously formed. Above 700 deg. C, NiTeO{sub 3} is further reacted with TeO{sub 2} to form NiTe{sub 2}O{sub 5}. Both NiTeO{sub 3} and NiTe{sub 2}O{sub 5} are decomposed above 774 deg. C.

  4. High-Fidelity and Ultrafast Initialization of a Hole Spin Bound to a Te Isoelectronic Center in ZnSe

    NASA Astrophysics Data System (ADS)

    St-Jean, P.; Éthier-Majcher, G.; André, R.; Francoeur, S.

    2016-10-01

    We demonstrate the optical initialization of a hole-spin qubit bound to an isoelectronic center (IC) formed by a pair of Te impurities in ZnSe, an impurity-host system providing high optical homogeneity, large electric dipole moments, and potentially advantageous coherence times. The initialization scheme is based on the spin-preserving tunneling of a resonantly excited donor-bound exciton to a positively charged Te IC, thus forming a positive trion. The radiative decay of the trion within less than 50 ps leaves a heavy hole in a well-defined polarization-controlled spin state. The initialization fidelity exceeds 98.5% for an initialization time of less than 150 ps.

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

    PubMed

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

    PubMed Central

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

    2016-01-01

    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/cm2), 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. PMID:26902593

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

    PubMed

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

    2016-01-01

    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. PMID:26902593

  8. Printed Se-Doped MA n-Type Bi2Te3 Thick-Film Thermoelectric Generators

    NASA Astrophysics Data System (ADS)

    Madan, Deepa; Chen, Alic; Wright, Paul K.; Evans, James W.

    2012-06-01

    In this work, we highlight new materials processing developments and fabrication techniques for dispenser-printed thick-film single-element thermoelectric generators (TEG). Printed deposition techniques allow for low-cost and scalable manufacturing of microscale energy devices. This work focuses on synthesis of unique composite thermoelectric systems optimized for low-temperature applications. We also demonstrate device fabrication techniques for high-density arrays of high-aspect-ratio planar single-element TEGs. Mechanical alloyed (MA) n-type Bi2Te3 powders were prepared by taking pure elemental Bi and Te in 36:64 molar ratio and using Se as an additive. X-ray diffraction (XRD) and scanning electron microscopy (SEM) techniques were used to characterize the as-milled powders to confirm the Bi2Te3 phase formation and particle size below 50 μm. Thermoelectric properties of the composites were measured from room temperature to 100°C. We achieved a dimensionless figure of merit ( ZT) of 0.17 at 300 K for MA n-type Bi2Te3-epoxy composites with 2 wt.% Se additive. A 20 single-leg TEG prototype with 5 mm × 400 μm × 120 μm printed element dimensions was fabricated on a polyimide substrate with evaporated gold contacts. The prototype device produced a power output of 1.6 μW at 40 μA and 40 mV voltage for a temperature difference of 20°C.

  9. Incoherent c-Axis Interplane Response of the Iron Chalcogenide FeTe0:55Se0:45 Superconductor from Infrared Spectroscopy

    SciTech Connect

    Gu, G.D.; Moon, S.J.; Homes, C.C.; Akrap, A.; Xu,, Z.J.; Wen, J.S.; Lin,, Z.W.; Li, Q.; Basov, D.N.

    2011-05-23

    We report on the interplane c-axis electronic response of FeTe{sub 0.55}Se{sub 0.45} investigated by infrared spectroscopy. We find that the normal-state c-axis electronic response of FeTe{sub 0.55}Se{sub 0.45} is incoherent and bears significant similarities to those of mildly underdoped cuprates. The c-axis optical conductivity {sigma}{sub c}({omega}) of FeTe{sub 0.55}Se{sub 0.45} does not display well-defined Drude response at all temperatures. As temperature decreases, {sigma}{sub c}({omega}) is continuously suppressed. The incoherent c-axis response is found to be related to the strong dissipation in the ab-plane transport: a pattern that holds true for various correlated materials as well as FeTe{sub 0.55}Se{sub 0.45}.

  10. X-ray diffraction study of (TlInSe{sub 2}){sub 1-x}(TlGaTe{sub 2}){sub x} crystal system

    SciTech Connect

    Sheleg, A. U. Zub, E. M.; Yachkovskii, A. Ya.; Mustafaeva, S. N.; Kerimova, E. M.

    2012-03-15

    The crystallographic and dynamic characteristics of TlInSe{sub 2} and TlGaTe{sub 2} crystals have been studied by X-ray diffraction in the temperature range of 85-320 K. The temperature dependences of the unit-cell parameters a of TlInSe{sub 2} and TlGaTe{sub 2} crystals, as well as their coefficients of thermal expansion along the [100] direction, are determined. The concentration dependences of the unit-cell parameters a and c for (TlInSe{sub 2}){sub 1-x}(TlGaTe{sub 2}){sub x} crystals are measured. Anomalies are found in the temperature dependences of the unit-cell parameters a and, correspondingly, the coefficient of thermal expansion, indicating the existence of phase transitions in TlInSe{sub 2} and TlGaTe{sub 2} crystals.

  11. Magneto-transport studies on Bi2Te2+xSe1-x (x = 0.05 and 0.10) topological insulators

    NASA Astrophysics Data System (ADS)

    Irfan, Bushra; Chatterjee, Ratnamala

    2016-09-01

    Bi2Te2Se is one of the most promising three dimensional topological insulators, for the study of surface states. In this work, we report the results of transport and magneto-transport behavior of Bi2Te2+xSe1-x (x =0.05 and 0.10) single crystals grown using modified Bridgeman technique. Resistance versus temperature measurements show semiconducting behavior for x = 0.05 and 0.10 crystals. Linear magnetoresistance is observed for Bi2Te2.05Se0.95 (i.e. x =0.05 ) whereas, Bi2Te2.10Se0.90 (x =0.10 ) single crystal shows a conductance fluctuations at low magnetic field.

  12. Effect of Te addition into As{sub 2}Se{sub 3} thin film: Optical property study by FTIR and XPS

    SciTech Connect

    Panda, Tribikram; Naik, R.; Chinnaiyah, S.; Ganesan, R.

    2015-06-24

    In the present work, we report the effect of Te deposition onto As{sub 2}Se{sub 3} film which affects the optical properties. The Te/As{sub 2}Se{sub 3} film was illuminated with 532 nm laser to study the photo induced diffusion. The prepared As{sub 2}Se{sub 3}, Te/As{sub 2}Se{sub 3} films were characterized by X-ray diffraction which show a completely amorphous nature. On the basis of optical transmission data carried out by Fourier Transform infrared Spectroscopy, a non direct transition was found for these films. The optical bandgap is found to be decreased with Te deposition and photo darkening phenomena is observed for the diffused film. The change in the optical constants are also supported by the corresponding change in different types of bonds which are being analyzed by X-ray photoelectron spectroscopy.

  13. Polycrystalline CuInSe{sub 2} and CdTe PV solar cells. Annual subcontract report, 15 April 1993--14 April 1994

    SciTech Connect

    Dhere, N.G.

    1994-11-01

    This is an annual technical report on the Phase 2 of a three-year phased research program. The principal objective of the research project is to develop novel and low-cost processes for the fabrication of stable and efficient CuIn{sub 1{minus}x}Ga{sub x}Se{sub 2} and CdTe polycrystalline-thin-film solar cells using reliable techniques amenable to scale-up for economic, large-scale manufacture. The aims are to develop a process for the non-toxic selenization so as to avoid the use of extremely toxic H{sub 2}Se in the fabrication of CuIn{sub 1{minus}x}Ga{sub x}Se{sub 2} thin-film solar cells; to optimize selenization parameters; to develop a process for the fabrication of CdTe solar cells using Cd and Te layers sputtered from elemental targets; to develop an integrated process for promoting the interdiffusion between Cd/Te layers, CdTe phase formation, grain growth, type conversion, and junction formation; to improve adhesion; to minimize residual stresses; to improve the metallic back-contact; to improve the uniformity, stoichiometry, and morphology of CuIn{sub 1{minus}x}Ga{sub x}Se{sub 2} and CdTe thin films; and to improve the efficiency of CuIn{sub 1{minus}x}Ga{sub x}Se{sub 2} and CdTe solar cells.

  14. Polycrystalline CuInSe{sub 2} and CdTe solar cells. Annual subcontract report, April 15, 1992--April 14, 1993

    SciTech Connect

    Dhere, N.G.

    1994-08-01

    The principal objective of the research project is to develop processes for the fabrication of cadmium-telluride, CdTe, and copper-indium-gallium-diselenide, Cu(In{sub 1{minus}x}Ga{sub x})Se{sub 2}, polycrystalline-thin-film solar cells using techniques that can be scaled-up for economic manufacture on a large scale. The aims are to fabricate CdTe solar cells using Cd and Te layers sputtered from elemental targets; to promote the interdiffusion between Cd/Te layers, CdTe phase formation, and grain growth; to utilize non-toxic selenization so as to avoid the use of extremely toxic H{sub 2}Se in the fabrication of Cu(In{sub l{minus}x}Ga{sub x})Se{sub 2} thin-film solar cells; to optimize selenization parameters; to improve adhesion; to minimize residual stresses; to improve the uniformity, stoichiometry, and morphology of CdTe and Cu(In{sub 1{minus}x}Ga{sub x})Se{sub 2} thin films, and the efficiency of CdTe and Cu(In{sub 1{minus}x}Ga{sub x})Se{sub 2} solar cells.

  15. Fabrication of fluorescence-based biosensors from functionalized CdSe and CdTe quantum dots for pesticide detection

    NASA Astrophysics Data System (ADS)

    Tran, Thi Kim Chi; Chinh Vu, Duc; Dieu Thuy Ung, Thi; Yen Nguyen, Hai; Hai Nguyen, Ngoc; Cao Dao, Tran; Nga Pham, Thu; Liem Nguyen, Quang

    2012-09-01

    This paper presents the results on the fabrication of highly sensitive fluorescence biosensors for pesticide detection. The biosensors are actually constructed from the complex of quantum dots (QDs), acetylcholinesterase (AChE) and acetylthiocholine (ATCh). The biosensor activity is based on the change of luminescence from CdSe and CdTe QDs with pH, while the pH is changed with the hydrolysis rate of ATCh catalyzed by the enzyme AChE, whose activity is specifically inhibited by pesticides. Two kinds of QDs were used to fabricate our biosensors: (i) CdSe QDs synthesized in high-boiling non-polar organic solvent and then functionalized by shelling with two monolayers (2-ML) of ZnSe and eight monolayers (8-ML) of ZnS and finally capped with 3-mercaptopropionic acid (MPA) to become water soluble; and (ii) CdTe QDs synthesized in aqueous phase then shelled with CdS. For normal checks the fabricated biosensors could detect parathion methyl (PM) pesticide at very low contents of ppm with the threshold as low as 0.05 ppm. The dynamic range from 0.05 ppm to 1 ppm for the pesticide detection could be expandable by increasing the AChE amount in the biosensor.

  16. Thermal stability and thermoelectric properties of Cu{sub x}As{sub 40−x}Te{sub 60−y}Se{sub y} semiconducting glasses

    SciTech Connect

    Vaney, J.B.; Piarristeguy, A.; Pradel, A.; Alleno, E.; Lenoir, B.; Candolfi, C.; Dauscher, A.; Gonçalves, A.P.; Lopes, E.B.; Monnier, J.; Ribes, M.; Godart, C.

    2013-07-15

    We report on the thermal behavior and thermoelectric properties of bulk chalcogenide glasses in the systems Cu{sub x}As{sub 40−x}Te{sub 60} (20≤x≤32.5) and Cu{sub x}As{sub 40−x}Te{sub 60−y}Se{sub y}, (0≤y≤9) synthesized by conventional melt-quenching techniques. The thermal stability of these glasses was probed by differential scanning calorimetry to determine the characteristic T{sub g} and ΔT temperatures, both of which increasing noticeably with y. Thermoelectric properties were found to be mainly influenced by the Cu concentration with respect to the Se content. The thermal conductivity is practically composition-independent throughout the compositional range covered. A maximum ZT value of 0.02 at 300 K increasing to 0.06 at 375 K was achieved for the composition Cu{sub 30}As{sub 10}Te{sub 54}Se{sub 6}. - Graphical abstract: Effect of substitution of Te by Se and As by Cu on thermal stability and thermoelectric properties of Cu{sub x}As{sub 40−x}Te{sub 60−y}Se{sub y} semiconducting glasses. - Highlights: • We studied substitution of Te by Se in Cu–As–Te thermoelectric chalcogenide glasses. • Cu–As–Te–Se glasses were prepared by conventional melt-quenching method. • Se inclusion increases thermal stability in Cu–As–Te glasses. • Increasing copper concentration enhances thermoelectric properties. • ZT of 0.02 was achieved at 300 K and 0.06 at 375 K.

  17. Observation of an electron band above the Fermi level in FeTe{sub 0.55}Se{sub 0.45} from in-situ surface doping

    SciTech Connect

    Zhang, P.; Ma, J.; Qian, T.; Richard, P. Ding, H.; Xu, N.; Xu, Y.-M.; Fedorov, A. V.; Denlinger, J. D.; Gu, G. D.

    2014-10-27

    We used in-situ potassium (K) evaporation to dope the surface of the iron-based superconductor FeTe{sub 0.55}Se{sub 0.45}. The systematic study of the bands near the Fermi level confirms that electrons are doped into the system, allowing us to tune the Fermi level of this material and to access otherwise unoccupied electronic states. In particular, we observe an electron band located above the Fermi level before doping that shares similarities with a small three-dimensional pocket observed in the cousin, heavily electron-doped KFe{sub 2−x}Se{sub 2} compound.

  18. Physical reasons of emission transformation in infrared CdSeTe/ZnS quantum dots at bioconjugation

    NASA Astrophysics Data System (ADS)

    Torchynska, T. V.

    2015-04-01

    The core/shell CdSeTe/ZnS quantum dots (QDs) with emission at 780-800 nm (1.55-1.60 eV) have been studied by means of photoluminescence (PL) and Raman scattering methods in the nonconjugated state and after conjugation to different antibodies (Ab): (i) mouse monoclonal [8C9] human papilloma virus Ab, anti-HPV 16-E7 Ab, (ii) mouse monoclonal [C1P5] human papilloma virus HPV16 E6+HPV18 E6 Ab, and (iii) pseudo rabies virus (PRV) Ab. The transformations of PL and Raman scattering spectra of QDs, stimulated by conjugated antibodies, have been revealed and discussed. The energy band diagram of core/shell CdSeTe/ZnS QDs has been designed that helps to analyze the PL spectra and their transformations at the bioconjugation. It is shown that the core in CdSeTe/ZnS QDs is complex and including the type II quantum well. The last fact permits to explain the nature of infrared (IR) optical transitions (1.55-1.60 eV) and the high energy PL band (1.88-1.94 eV) in the nonconjugated and bioconjugated QDs. A set of physical reasons has been analyzed with the aim to explain the transformation of PL spectra in bioconjugated QDs. Finally it is shown that two factors are responsible for the PL spectrum transformation at bioconjugation to charged antibodies: (i) the change of energy band profile in QDs and (ii) the shift of QD energy levels in the strong quantum confinement case. The effect of PL spectrum transformation is useful for the study of QD bioconjugation to specific antibodies and can be a powerful technique for early medical diagnostics.

  19. Structural and optical properties of thin films of Cu(In,Ga)Se2 semiconductor compounds

    NASA Astrophysics Data System (ADS)

    Mudryi, A. V.; Gremenok, V. F.; Karotki, A. V.; Zalesski, V. B.; Yakushev, M. V.; Luckert, F.; Martin, R.

    2010-07-01

    The chemical composition of Cu(In,Ga)Se2 (CIGS) semiconductor compounds is analyzed by local x-ray spectral microanalysis and scanning Auger electron spectroscopy. X-ray diffraction analysis reveals a difference in the predominant orientation of CIGS films depending on the technological conditions under which they are grown. The chemical composition is found to have a strong effect on the shift in the self-absorption edge of CIGS compounds. It is shown that a change in the relative proportion of Ga and In in CIGS semiconducting compounds leads to a change in the band gap Eg for this material in the 1.05-1.72 eV spectral range at 4.2 K.

  20. Electronic structure, transport, and phonons of SrAgChF (Ch = S,Se,Te): Bulk superlattice thermoelectrics

    DOE PAGES

    Gudelli, Vijay Kumar; Kanchana, V.; Vaitheeswaran, G.; Singh, David J.; Svane, Axel; Christensen, Niels Egede; Mahanti, Subhendra D.

    2015-07-15

    Here, we report calculations of the electronic structure, vibrational properties, and transport for the p-type semiconductors, SrAgChF (Ch = S, Se, and Te). We find soft phonons with low frequency optical branches intersecting the acoustic modes below 50 cm–1, indicative of a material with low thermal conductivity. The bands at and near the valence-band maxima are highly two-dimensional, which leads to high thermopowers even at high carrier concentrations, which is a combination that suggests good thermoelectric performance. These materials may be regarded as bulk realizations of superlattice thermoelectrics.

  1. Characterization of CdS/CdTe and CdS/CuInSe2 thin film solar cells

    NASA Technical Reports Server (NTRS)

    Cheng, L. J.; Nguyen, T. T.; Shyu, C. M.; Basol, B. M.; Yoo, H. I.

    1984-01-01

    A study on low cost polycrystalline thin film CdS/CdTe and CdS/CuInSe2 solar cells using measurements of spectral response and capacitance-voltage-frequency relationships was performed. Because of high concentrations of localized levels in the energy gap existing in materials and at interfaces, the redistribution of charge among the levels due to illumination plays an important role in the collection of light-generated current in these cells. The results illustrate some related phenomena observed in these cells.

  2. Weak antilocalization in thin films of the Bi2Te2.7Se0.3 solid solution

    NASA Astrophysics Data System (ADS)

    Abdullaev, N. A.; Alekperov, O. Z.; Aligulieva, Kh. V.; Zverev, V. N.; Kerimova, A. M.; Mamedov, N. T.

    2016-09-01

    A technology has been developed for the preparation of thin films of the Bi2Te2.7Se0.3 solid solution through the thermal evaporation in a vacuum using the "hot-wall" method. The high quality of the thin films thus prepared has been confirmed by the X-ray diffraction and Raman scattering data. The electron transport has been investigated over wide ranges of temperatures (1.4-300 K) and magnetic fields (up to 8 T). It has been assumed that the observed weak antilocalization is associated with the dominant contribution from the surface states of a topological insulator. The dephasing length has been estimated.

  3. Structural and thermoelectric property study of Se doped Sb2Te3 alloy

    NASA Astrophysics Data System (ADS)

    Das, Diptasikha; Malik, K.; Deb, A. K.; Dasgupta, A.; Bandyopadhyay, S.; Kulbashinskii, V. A.; Banerjee, Aritra

    2016-05-01

    In depth structural analysis of the polycrystalline Sb2Te3-xSex alloy has been done by Rietveld refinement technique using MAUD software. Thermal variation of resistivity measurement is performed down to 10 K. Temperature dependent thermopower, measured in the range 300-20 K, reveals that samples are p-type in nature. Power factor has been estimated using resistivity and thermopower data.

  4. Ab initio study of the structural, electronic and optical properties of ZnTe compound

    SciTech Connect

    Bahloul, B.; Deghfel, B.; Amirouche, L.; Bounab, S.; Bentabet, A.; Bouhadda, Y.; Fenineche, N.

    2015-03-30

    Structural, electronic and optical properties of ZnTe compound were calculated using Density Functional Theory (DFT) based on the pseudopotentials and planewaves (PP-PW) method as implemented in the ABINIT computer code, where the exchange–correlation functional is approximated using the local density approximation (LDA) and the generalized gradient approximation (GGA). The obtained results from either LDA or GGa calculation for lattice parameter, energy band gap and optical parameters, such as the fundamental absorption edge, the peaks observed in the imaginary part of the dielectric function, the macroscopic dielectric constants and the optical dielectric constant, are compared with the available theoretical results and experimental data.

  5. Band engineering in core/shell ZnTe/CdSe for photovoltage and efficiency enhancement in exciplex quantum dot sensitized solar cells.

    PubMed

    Jiao, Shuang; Shen, Qing; Mora-Seró, Iván; Wang, Jin; Pan, Zhenxiao; Zhao, Ke; Kuga, Yuki; Zhong, Xinhua; Bisquert, Juan

    2015-01-27

    Even though previously reported CdTe/CdSe type-II core/shell QD sensitizers possess intrinsic superior optoelectronic properties (such as wide absorption range, fast charge separation, and slow charge recombination) in serving as light absorbers, the efficiency of the resultant solar cell is still limited by the relatively low photovoltage. To further enhance photovoltage and cell efficiency accordingly, ZnTe/CdSe type-II core/shell QDs with much larger conduction band (CB) offset in comparison with that of CdTe/CdSe (1.22 eV vs 0.27 eV) are adopted as sensitizers in the construction of quantum dot sensitized solar cells (QDSCs). The augment of band offset produces an increase of the charge accumulation across the QD/TiO2 interface under illumination and induces stronger dipole effects, therefore bringing forward an upward shift of the TiO2 CB edge after sensitization and resulting in enhancement of the photovoltage of the resultant cell devices. The variation of relative chemical capacitance, Cμ, between ZnTe/CdSe and reference CdTe/CdSe cells extracted from impedance spectroscopy (IS) characterization under dark and illumination conditions clearly demonstrates that, under light irradiation conditions, the sensitization of ZnTe/CdSe QDs upshifts the CB edge of TiO2 by the level of ∼ 50 mV related to that in the reference cell and results in the enhancement of V(oc) of the corresponding cell devices. In addition, charge extraction measurements have also confirmed the photovoltage enhancement in the ZnTe/CdSe cell related to reference CdTe/CdSe cell. Furthermore, transient grating (TG) measurements have revealed a faster electron injection rate for the ZnTe/CdSe-based QDSCs in comparison with the CdSe cells. The resultant ZnTe/CdSe QD-based QDSCs exhibit a champion power conversion efficiency of 7.17% and a certified efficiency of 6.82% under AM 1.5 G full one sun illumination, which is, as far as we know, one of the highest efficiencies for liquid-junction QDSCs.

  6. Development of a computer model for polycrystalline thin-film CuInSe sub 2 and CdTe solar cells

    SciTech Connect

    Gray, J.L.; Schwartz, R.J.; Lee, Y.J. )

    1992-04-01

    This report describes work to develop a highly accurate numerical model for CuInSe{sub 2} and CdTe solar cells. ADEPT (A Device Emulation Program and Toolbox), a one-dimensional semiconductor device simulation code developed at Purdue University, was used as the basis of this model. An additional objective was to use ADEPT to analyze the performance of existing and proposed CuInSe{sub 2} and CdTe solar cell structures. The work is being performed in two phases. The first phase involved collecting device performance parameters, cell structure information, and material parameters. This information was used to construct the basic models to simulate CuInSe{sub 2} and CdTe solar cells. This report is a tabulation of information gathered during the first phase of this project on the performance of existing CuInSe{sub 2} and CdTe solar cells, the material properties of CuInSr{sub 2}, CdTe, and CdS, and the optical absorption properties of CuInSe{sub 2}, CdTe, and CdS. The second phase will entail further development and the release of a version of ADEPT tailored to CuInSe{sub 2} and CdTe solar cells that can be run on a personal computer. In addition, ADEPT will be used to analyze the performance of existing and proposed CuInSe{sub 2} and CdTe solar cell structures. 110 refs.

  7. An investigation of new infrared nonlinear optical material: BaCdSnSe4, and three new related centrosymmetric compounds: Ba2SnSe4, Mg2GeSe4, and Ba2Ge2S6.

    PubMed

    Wu, Kui; Su, Xin; Yang, Zhihua; Pan, Shilie

    2015-12-14

    A series of new metal chalcongenides, BaCdSnSe4 (1), Ba2SnSe4 (2), Mg2GeSe4 (3), and Ba2Ge2S6 (4), were successfully synthesized for the first time. Among them, compounds 2 and 4 were prepared by a molten flux method with Zn as the flux. In their structures, all of them have MQ4 (M = Sn, Ge; Q = S, Se) units. For compound 1, the CdSe4 and SnSe4 groups are connected to form CdSnSe6 layers and these layers are linked together by the Ba atoms. Compounds 2 and 3 are composed of isolated MSe4 (M = Sn, Ge) units and charge-balanced by the Ba or Mg atoms, respectively, while compound 4 has infinite ∞(GeS3)n chains, which is different from the structures of the other three compounds that only have isolated MSe4 (M = Sn, Ge) units. The measured IR and Raman data of the title compounds show wide infrared transmission ranges. The experimental band gaps of compounds 1, 2, 3 and were determined to be 1.79, 1.90, and 2.02 eV, respectively. Band structures were also calculated and indicate that their tetrahedral units, such as [SnSe4], [GeS4] and [GeSe4], determine the energy band gaps of the title compounds, respectively. As for compound 1, based on fundamental light at 2.09 μm, the experimental second harmonic generation (SHG) response is about 1.6 times that of the benchmark AgGaS2, which is also consistent with the calculated value. Based on the above results, compound 1 has promising applications in the IR field as a NLO material. PMID:26509847

  8. Selenium and Tellurium concentrations of ultradepleted peridotites determined by isotope dilution ICPMS: implications for Se-Te systematics of the Earth's mantle

    NASA Astrophysics Data System (ADS)

    König, S.; Luguet, A.; Lorand, J.-P.; Wombacher, F.; Lissner, M.

    2012-04-01

    As for highly siderophile elements, selenium and tellurium may constitute key tracers for planetary processes such as formation of the Earth's core and the Late Veneer composition, provided that their geochemical behaviour and abundances in the primitive upper mantle (PUM) are constrained. Within this scope, we have developed a high precision analytical method for the simultaneous determination of selenium and tellurium concentrations from a single sample aliquot and various rock matrices, including ultradepleted peridotites. The technique employs isotope dilution, thiol cotton fiber (TCF) separation and hydride generation MC-ICP-MS. A selection of international mafic and ultramafic rock reference materials BIR-1, BE-N, TDB-1, UB-N, FON B 93, BIR-1 and BHVO-2 with a range of 30 to 350 ppb Se and 0.7 to 12 ppb Te show external reproducibilities of 3 to 8% for Se and 0.4 to 11% for Te (2 relative standard deviations (r.s.d.)). We have applied this method to a suite of refractory mantle peridotites (Al2O3 <1.5 wt. %) from Lherz, previously shown to be strongly and uniformly depleted in Se, Te and incompatible elements by high degree of partial melting (20 ± 5%). In contrast to fertile lherzolites which remain at broadly chondritic values (Se/Te = 9), the ultradepleted harzburgites show highly fractionated and up to suprachondritic Se/Te (< 35) that correlate with decreasing Te concentrations. The fractionation is displayed by the depleted peridotites as well as multiple analysis of a single Lherz harzburgite sample (64-3). This shows 1) a strong sample heterogeneity effect for Te and 2) a more incompatible behaviour of Te compared to Se on the whole rock scale, once base metal sulfides are highly depleted and in some cases entirely consumed by partial melting. The marked differences in Se-Te systematics observed between fertile lherzolites and depleted harzburgites can be explained by the combined effect of i) different abundances and proportions of residual and

  9. Thermoelectric efficiency of (1 - x)(GeTe) x(Bi2Se0.2Te2.8) and implementation into highly performing thermoelectric power generators.

    PubMed

    Koenig, J; Winkler, M; Dankwort, T; Hansen, A-L; Pernau, H-F; Duppel, V; Jaegle, M; Bartholomé, K; Kienle, L; Bensch, W

    2015-02-14

    Here we report for the first time on a complete simulation assisted "material to module" development of a high performance thermoelectric generator (TEG) based on the combination of a phase change material and established thermoelectrics yielding the compositions (1 - x)(GeTe) x(Bi(2)Se(0.2)Te(2.8)). For the generator design our approach for benchmarking thermoelectric materials is demonstrated which is not restricted to the determination of the intrinsically imprecise ZT value but includes the implementation of the material into a TEG. This approach is enabling a much more reliable benchmarking of thermoelectric materials for TEG application. Furthermore we analyzed the microstructure and performance close to in-operandi conditions for two different compositions in order to demonstrate the sensitivity of the material against processing and thermal cycling. For x = 0.038 the microstructure of the as-prepared material remains unchanged, consequently, excellent and stable thermoelectric performance as prerequisites for TEG production was obtained. For x = 0.063 we observed strain phenomena for the pristine state which are released by the formation of planar defects after thermal cycling. Consequently the thermoelectric performance degrades significantly. These findings highlight a complication for deriving the correlation of microstructure and properties of thermoelectric materials in general.

  10. Modelling potential photovoltaic absorbers Cu3 MCh 4 (M  =  V, Nb, Ta; Ch  =  S, Se, Te) using density functional theory

    NASA Astrophysics Data System (ADS)

    Kehoe, Aoife B.; Scanlon, David O.; Watson, Graeme W.

    2016-05-01

    The geometric and electronic properties of a series of potential photovoltaic materials, the sulvanite structured \\text{C}{{\\text{u}}3}MC{{h}4} (M  =  V, Nb, Ta; Ch  =  S, Se, Te), have been computationally examined using both PBEsol+U and HSE06 methods to assess the materials’ suitability for solar cell application and to compare the predictions of the two theoretical approaches. The lattice parameters, electronic density of states, and band gaps of the compounds have been calculated to ascertain the experimental agreement obtained by each method and to determine if any of the systems have an optical band gap appropriate for photovoltaic absorber materials. The PBEsol+U results are shown to achieve better agreement with experiment than HSE06 in terms of both lattice constants and band gaps, demonstrating that higher level theoretical methods do not automatically result in a greater level of accuracy than their computationally less expensive counterparts. The PBEsol+U calculated optical band gaps of five materials suggest potential suitability as photovoltaic absorbers, with values of 1.72 eV, 1.49 eV, 1.19 eV, 1.46 eV, and 1.69 eV for Cu3VS4, Cu3VSe4, Cu3VTe4, Cu3NbTe4, and Cu3TaTe4, respectively, although it should be noted that all fundamental band gaps are indirect in nature, which could lower the open-circuit voltage and hence the efficiency of prospective devices.

  11. Point defects in CdTexSe1-x crystals grown from a Te-rich solution for applications in detecting radiation

    SciTech Connect

    Gul, R.; Roy, U. N.; Bolotnikov, A. E.; Camarda, G. S.; Cui, Y.; Hossain, A.; Lee, W.; Yang, G.; Burger, A.; James, R. B.; Cui, Y.

    2015-04-15

    We investigated cadmium telluride selenide (CdTeSe) crystals, newly grown by the Traveling Heater Method (THM), for the presence and abundance of point defects. Deep Level Transient spectroscopy (I-DLTS) was used to determine the energies of the traps, their capture cross sections, and densities. The bias across the detectors was varied from (1–30) V. Four types of point defects were identified, ranging from 10 meV to 0.35 eV. Two dominant traps at energies of 0.18 eV and 0.14 eV were studied in depth. Cd vacancies are found at lower concentrations than other point defects present in the material.

  12. Improved Thermoelectric Properties of Se-Doped n-Type PbTe1- x Se x (0 ≤ x ≤ 1)

    NASA Astrophysics Data System (ADS)

    Basu, Ranita; Bhattacharya, S.; Bhatt, Ranu; Singh, Ajay; Aswal, D. K.; Gupta, S. K.

    2013-07-01

    Enhancement of the thermoelectric figure of merit is of prime importance for any thermoelectric material. Lead telluride has received attention as a potential thermoelectric material. In this work, the effect of Se substitution has been systematically investigated in PbTe1- x Se x . The thermoelectric properties of synthesized alloys were measured in the temperature range of 300 K to 873 K. For the particular composition of x = 0.5, α was highest at ~292 μV/K, while k was lowest at ~0.75 W/m-K, resulting in the highest dimensionless figure of merit of ZT ≈ 0.95 at 600 K. The increase in thermopower for x = 0.5 can be attributed to the high distortion in the crystal lattice which leads to the formation of defect states. These defect states scatter the majority charge carriers, leading to high thermopower and high electrical resistivity. The dramatic reduction of the thermal conductivity for x = 0.5 can be attributed to phonon scattering by defect states.

  13. Sb52Se36Te12 material with high-temperature data retention coupled with rapid crystallization speed for phase change application

    NASA Astrophysics Data System (ADS)

    Chen, Liangliang; Song, Sannian; Song, Zhitang; Li, Le; zhang, Zhonghua; Zheng, Yonghui; Zheng, Qianqian; Zhang, Xin; Zhu, Xiuwei; Shao, Hehong

    2015-12-01

    In this paper, Sb52Se36Te12 is proposed for its good data retention and extremely rapid crystallization speed. Compared with usual Ge2Sb2Te5, Sb52Se36Te12 exhibits a higher crystallization temperature of 196 ○C, a better thermal stability, indicating a brilliant performance for data retention of 10 years at 121 ○C, and a much faster switching speed, which is demonstrated by an electric pulse as short as 8 ns that can fulfil the set operation. Thus, Sb52Se36Te12 could be expected to have a wide application in the fields of phase change memory with rapid crystallization speed and high-temperature data retention.

  14. Se-Te fractionation by sulfide-silicate melt partitioning: Implications for the composition of mantle-derived magmas and their melting residues

    NASA Astrophysics Data System (ADS)

    Brenan, James M.

    2015-07-01

    Partitioning of Se and Te has been measured between coexisting sulfide liquid, monosulfide solid solution (MSS) and silicate melt at 0.9-1.5 GPa, 1200-1300 °C, fO2 controlled near the fayalite-magnetite-quartz buffer (FMQ-1.2 to -1.6) and 3-22 wt% FeO in the silicate melt. Both elements are highly compatible in the sulfide phase relative to silicate liquid (Dsulfide phase/silicate liquid > 600), with the identity of the sulfide dictating the sense of Se-Te fractionation. Whereas the measured DTe/DSe is ∼5-9 for sulfide liquid/silicate liquid partitioning, MSS/silicate melt partitioning fractionates Te from Se in the opposite sense, with DTe/DSe of ∼0.5-0.8. At fixed fO2, DSulLiq/SilLiq values for both Se and Te decrease ∼8-fold over the range in silicate melt FeO content investigated. The relative values of DSulLiq/SilLiq for Cu to Se increase with increasing FeO in the silicate melt, such that DCu exceeds DSe only for melts with >11 wt% FeO. Hence the standard belief that DCu >DSe as indicative of sulfide removal should be carefully assessed in the context of the FeO content of the magmas involved. Assuming a chondritic mantle Se/Te, predicted MSS and sulfide liquid compositions are generally in accord with natural mantle sulfides, in terms of their designation as MSS or sulfide liquid, based on independent criteria. However, additional variability is likely due to Te redistribution in accessory platinum group minerals (PGM), or that some sulfides are metasomatic. Calculations show that the Se/Te ratio of silicate melt derived from a sulfide liquid-saturated mantle is significantly higher, and more variable, than for silicate melt in equilibrium with residual MSS; modest sulfide liquid removal at low pressure, however, likely obscures the Se/Te fractionation imposed by the source sulfide phase. Models indicate that the composition of MORB is consistent with melts produced from sulfide-bearing sources with chondritic Se/Te, and source sulfur contents higher

  15. Magnetic Order and Transitions in the Spin-web Compound Cu3TeO6

    NASA Astrophysics Data System (ADS)

    Månsson, Martin; Prša, Krunoslav; Sugiyama, Jun; Andreica, Daniel; Luetkens, Hubertus; Berger, Helmuth

    The spin-web compound Cu3TeO6, belongs to an intriguing group of materials where magnetism is governed by3d9 copper Cu2+ ions. This compound has been sparsely experimentally studied and we here present the first investigation of its local magnetic properties using muon-spin relaxation/rotation(μ+SR). Our results show a clear long-range 3D magnetic order below TN as indicated by clear zero-field (ZF) muon-precessions. At TN = 61.7K a very sharp transition is observed in the weak transverse-field (wTF) as well as ZF data. Contrary to suggestions by susceptibility measurements and inelastic neutron scattering, we find no evidence for either static or dynamic (on the time-scale of μ+SR) spin-correlations above TN.

  16. Application of CdTe/ZnSe quantum dots in in vitro imaging of chicken tissue and embryo.

    PubMed

    Moulick, Amitava; Blazkova, Iva; Milosavljevic, Vedran; Fohlerova, Zdenka; Hubalek, Jaromir; Kopel, Pavel; Vaculovicova, Marketa; Adam, Vojtech; Kizek, Rene

    2015-01-01

    The present work is aimed to synthesize CdTe/ZnSe core/shell quantum dots (QDs) in an easy way and to explore the possibilities of its application in in vitro imaging of chicken tissue and embryo. The QDs were prepared using microwave irradiation with different temperatures, which is a very easy and less time-consuming method. Subsequently, these QDs were characterized by spectrofluorimetry, Transmission Electron Microscopy, X-ray fluorescence analysis and Dynamic Light Scattering measurement. A blueshifting of the emission was found when ZnSe was deposited on CdTe QDs. The QDs showed its fluorescence emission quantum yields up to 25%. They were applied into chicken embryos and breast muscle tissues to study their efficiency in in vitro imaging. All the QDs of different color were able to visualize in in vitro imaging. The highest fluorescence intensity was detected in the case of red QDs prepared at 100°C. The green and red QDs were possible to detect up to the depth of 3 and 4 mm of the tissue, respectively. PMID:25476270

  17. Two-dimensional nanoplates of Bi2Te3 and Bi2Se3 with reduced thermal stability

    NASA Astrophysics Data System (ADS)

    Kang, Sung Min; Ha, Sung-Soo; Jung, Wan-Gil; Park, Mansoo; Song, Hyon-Seok; Kim, Bong-Joong; Hong, Jung-Il

    2016-02-01

    Free-standing thin nanoplates of Bi2Te3 and Bi2Se3 were synthesized by solvothermal method. It was demonstrated that the thickness of the nanoplates can be controlled by introducing a controlled amount of polyvinylpyrrolidone (PVP) in the synthesis reaction. PVP bonds to the polar basal planes of hexagonal crystal structure of Bi2Te3 and Bi2Se3, and they suppress the growth (speed) of the hexagonal crystals in the c-axis direction. Highly anisotropic growth yielded the formation of 2-dimensional nanostructures of nanoplates. The plates were examined directly with transmission electron microscopy (TEM) with in-situ heating. These crystalline nanoplates with extremely high width to thickness ratios were found to exhibit much lower thermal stability compared to the bulk counterpart or the conventional nanoparticles as represented by the reduced melting temperature. The melting temperature of a nanoplate decreased by more than 100°C compared to the melting temperature of the bulk material. While it is widely known that the meting temperature decreases for nanoparticles with reduced sizees in all three spatial dimensions, we demonstrate that the reduction in one dimension, i.e. thickness of the platelets in the present study, is effective enough to induce much greater decrease of the melting point than the decrease as observed for the case of nanoparticles.

  18. Heat treatment and thickness-dependent electrical study of Se50Te20S30 thin film

    NASA Astrophysics Data System (ADS)

    Abd-Elrahman, M. I.; Hafiz, M. M.; Qasem, Ammar; Abdel-Rahim, M. A.

    2016-08-01

    Chalcogenide Se50Te20S30 thin film of different thickness was deposited using thermal evaporation technique. The thermogram of the chalcogenide bulk Se50Te20S30 was obtained using a differential scanning calorimetry (DSC) with heating rate of 7.5 K/min. The glass transition temperature T g, crystallization temperature T c and peak crystallization temperature T p were identified. The X-ray diffraction (XRD) examination indicates the amorphous nature of the as-deposited film and polycrystalline structure of the thermal annealed ones. The dark electrical resistivity ( ρ) measurements were taken in temperature range (300-500 K) and thickness range (200-450 nm). Analysis of the electrical resistivity results revealed two types of conduction mechanisms: conduction due to extended states in the temperature range ( T > T c) and variable range hopping in the temperature range ( T < T c). The effect of the heat treatment and thickness on the density of localized states at the Fermi level N( E F) and hopping parameters were studied.

  19. Switching of charge-current-induced spin polarization in the topological insulator BiSbTeSe2

    NASA Astrophysics Data System (ADS)

    Yang, Fan; Ghatak, Subhamoy; Taskin, A. A.; Segawa, Kouji; Ando, Yuichiro; Shiraishi, Masashi; Kanai, Yasushi; Matsumoto, Kazuhiko; Rosch, Achim; Ando, Yoichi

    2016-08-01

    The charge-current-induced spin polarization is a key property of topological insulators for their applications in spintronics. However, topological surface states are expected to give rise to only one type of spin polarization for a given current direction, which has been a limiting factor for spin manipulations. Here, we report that in devices based on the bulk-insulating topological insulator BiSbTeSe2, an unexpected switching of spin polarization was observed upon changing the chemical potential. The spin polarization expected from the topological surface states was detected in a heavily electron-doped device, whereas the opposite polarization was reproducibly observed in devices with low carrier densities. We propose that the latter type of spin polarization stems from topologically trivial two-dimensional states with a large Rashba spin splitting, which are caused by a strong band bending at the surface of BiSbTeSe2 beneath the ferromagnetic electrode used as a spin detector. This finding paves the way for realizing the "spin transistor" operation in future topological spintronic devices.

  20. Ab initio study of point defects in PbSe and PbTe: Bulk and nanowire

    SciTech Connect

    Wrasse, E. O.; Venezuela, P.; Baierle, R. J.

    2014-11-14

    First principles investigations, within the spin-polarized density functional theory, are performed to study energetic stability and electronic properties of point defects (vacancies and antisites) in PbSe and PbTe: bulk and nanowire (NW). Our results show that the energetic stability of these defects is ruled by relaxation process. These defects have lower formation energies in the nanowire structures as compared to the bulk, being more stable in the surface of the NWs. We also show that in the bulk system only one charge state is stable, otherwise, due to the larger band gaps, more than one charge state may be stable in the NWs. In addition, we have investigated how the presence of intrinsic defects affects the electronic properties of bulk and NW systems. Vacancies give rise to new electronic states near to the edges of the valence and conduction bands while the energetic position of the electronic states from antisites depends on the charge state, being localized inside the band gap or near the edges of the valence or conduction bands. We discuss how these changes in the electronic properties due to intrinsic defects may affect the thermoelectric properties of PbSe and PbTe NWs.

  1. Lattice dynamics of BaFe2X3(X=S,Se) compounds

    DOE PAGES

    Popović, Z. V.; Šćepanović, M.; Lazarević, N.; Opačić, M.; Radonjić, M. M.; Tanasković, D.; Lei, Hechang; Petrovic, C.

    2015-02-27

    We present the Raman scattering spectra of the S=2 spin ladder compounds BaFe₂X₃ (X=S,Se) in a temperature range between 20 and 400 K. Although the crystal structures of these two compounds are both orthorhombic and very similar, they are not isostructural. The unit cell of BaFe₂S₃ (BaFe₂Se₃) is base-centered Cmcm (primitive Pnma), giving 18 (36) modes to be observed in the Raman scattering experiment. We have detected almost all Raman active modes, predicted by factor group analysis, which can be observed from the cleavage planes of these compounds. Assignment of the observed Raman modes of BaFe₂S(Se)₃ is supported by themore » lattice dynamics calculations. The antiferromagnetic long-range spin ordering in BaFe₂Se₃ below TN=255K leaves a fingerprint both in the A1g and B3g phonon mode linewidth and energy.« less

  2. Partitioning of Se, As, Sb, Te and Bi between monosulfide solid solution and sulfide melt - Application to magmatic sulfide deposits

    NASA Astrophysics Data System (ADS)

    Helmy, Hassan M.; Ballhaus, Chris; Wohlgemuth-Ueberwasser, Cora; Fonseca, Raúl O. C.; Laurenz, Vera

    2010-11-01

    The chalcogenes (S, Se, Te), semimetals (As, Sb) and the metal Bi are important ligands for noble metals and form a wide range of compositionally diverse minerals with the platinum-group elements (PGE). With the exception of S, few experimental data exist to quantify the behavior of these elements in magmatic sulfide systems. Here we report experimental partition coefficients for Se, Te, As, Sb, and Bi between monosulfide solid solution (mss) and sulfide melt, determined at 950 °C at a range of sulfur fugacities ( fS2) bracketed by the Fe-FeS (metal-troilite) and the Fe 1-×S-S x (mss-sulfur) equilibria. Selenium is shown to partition in mss-saturated sulfide melt as an anion replacing S 2-. Arsenic changes its oxidation state with fS 2 from predominantly anionic speciation at low fS 2, to cationic speciation at high fS 2. The elements Sb, Te, and Bi are so highly incompatible with mss that they can only be present in sulfide melt as cations and/or as neutral metallic species. The partition coefficients derived fall with increasing atomic radius of the element. They also reflect the positions of the respective elements in the Periodic Table: within a group (e.g., As, Sb, Bi) the partition coefficients fall with increasing atomic radius, and within a period the elements of the 15th group are more incompatible with mss than the neighboring elements of the 16th group.

  3. Coexistence of electron-glass phase and persistent photoconductivity in GeSbTe compounds

    NASA Astrophysics Data System (ADS)

    Ovadyahu, Z.

    2015-03-01

    It is demonstrated that persistent photoconductivity (PPC), well studied in lightly-doped semiconductors, is observable in GeSbTe compounds using infrared excitation at cryogenic temperatures. The low levels of energy flux necessary to induce an appreciable effect seems surprising given the high carrier concentration n of these ternary alloys (n >1020cm-3 ). On the other hand, their high density of carriers makes GeSbTe films favorable candidates for exhibiting intrinsic electron-glass effects with long relaxation times. These are indeed observed in GeSbTe thin films that are Anderson-localized. In particular, a memory dip is observed in samples with sheet resistances larger than ≈105Ω at T ≈4 K with similar characteristics as in other systems that exhibit intrinsic electron-glass effects. Persistent photoconductivity, however, is observable in GeSbTe films even for sheet resistances of the order of 103Ω , well below the range of disorder required for observing electron-glass effects. These two nonequilibrium phenomena, PPC and electron glass, are shown to be of different nature in terms of other aspects as well. In particular, their relaxation dynamics is qualitatively different; the excess conductance Δ G associated with PPC decays with time as a stretched exponential whereas a logarithmic relaxation law characterizes Δ G (t ) of all electron glasses studied to date. Surprisingly, the magnitude of the memory dip is enhanced when the system is in the PPC state. This counter-intuitive result may be related to the compositional disorder in these materials extending over mesoscopic scales. Evidence in support of this scenario is presented and discussed.

  4. Pseudo Jahn-Teller origin of puckering in cyclohexahomoatomic molecules E6 (E = S, Se, Te) and restoring S6 planar ring configuration

    NASA Astrophysics Data System (ADS)

    Ilkhani, Ali Reza

    2015-10-01

    The pseudo Jahn-Teller effect (PJTE) is employed to explore the origin of the puckering structure of cyclohexasulfur (S6), cyclohexaselenium (Se6) and cyclohexatellurium (Te6) and their nondegenerate and degenerate vibronic excited states and their planar structure instabilities have investigated. The ab initio geometry optimization and frequency calculations show that all these cyclohexahomoatomic molecules chose D6h symmetry in the planar configuration, and according the S6 and Se6 experimental structure, the chair form of the molecules is stable structure. The vibronic coupling between the ground state 1A1g and excited state 1B2g is the cause of chair puckering in all these series compounds and the numerical solutions of the PJTE (1A1g+1B2g)⊗b2g problems describe their instability. The adiabatic potential energy surfaces (APES) cross sections of low-lying electronic states along the b2g puckering normal coordinates have calculated by the state-average complete active space self-consistent field (SA-CASSCF) method. The calculation results show that, the chair puckering instability in the S6 from unstable planar configuration with D6h symmetry to a stable D3d distorted geometry, is stronger than others, whereas it is weaker in Te6. Additionally, coordination two canions (X = H+, He2+) to the S6 chair structure restore the planarity of S6 puckered ring in the S6X2 systems, although the D6h symmetry in S6 planar ring configuration changes to the Cs symmetry in the systems.

  5. 187Re-187Os systematics, highly siderophile element, S-Se-Te abundances in the components of unequilibrated L chondrites

    NASA Astrophysics Data System (ADS)

    Kadlag, Yogita; Becker, Harry

    2016-01-01

    The 187Re-187Os systematics, abundances of highly siderophile elements (HSE: Re, platinum group elements and Au), Te, Se and S as well as major and minor elements were determined in separated components of two unequilibrated L chondrites QUE 97008 (L3.05) and Ceniceros (L3.7). The 187Re-187Os systematics are disturbed in the components of both meteorites, most likely due to open system behavior of Re during terrestrial weathering of QUE 97008 and alteration on the L chondrite parent body as indicated by an internal errorchron generated for components of Ceniceros. The HSE abundance patterns suggest that the bulk rock abundances were mainly controlled by two different end members. Non-magnetic fractions display lower Re/Os and HSE/Ir than CI chondrites. Chondrules, metal-troilite spherules and fine magnetic fractions, are depleted in refractory HSE and show higher Rh/Ir, Pd/Ir and Au/Ir than in CI chondrites. The different HSE compositions indicate the presence of unequilibrated alloys and loss of refractory HSE-rich carrier phases from the precursors of some L chondrite components. Gold is decoupled from other HSE in magnetic fractions and shows chalcophile affinities with a grain size dependent variation similar to S and Se, presumably inherited from preaccretionary processes. Tellurium is depleted in all components compared to other analysed siderophile elements, and its abundance was most likely controlled by fractional condensation and different geochemical affinities. The volatility dependent depletion of Te requires different physical and chemical conditions than typical for the canonical condensation sequence as represented by carbonaceous chondrites. Tellurium also shows variable geochemical behavior, siderophile in Ceniceros, predominantly chalcophile in QUE 97008. These differences may have been inherited from element partitioning during chondrule formation. Selenium and S on the other hand are almost unfractionated from each other and only show

  6. Crystal Growth of ZnSe and Related Ternary Compound Semiconductors by Vapor Transport

    NASA Technical Reports Server (NTRS)

    Su, Ching-Hua; Burger, Arnold; Dudley, Michael; Matyi, Richard J.; Ramachandran, Narayanan; Sha, Yi-Gao; Volz, Martin; Shih, Hung-Dah

    1998-01-01

    Interest in optical devices which can operate in the visible spectrum has motivated research interest in the II-VI wide band gap semiconductor materials. The recent challenge for semiconductor opto-electronics is the development of a laser which can operate at short visible wavelengths, In the past several years, major advances in thin film technology such as molecular beam epitaxy and metal organic chemical vapor deposition have demonstrated the applicability of II-VI materials to important devices such as light-emitting diodes, lasers, and ultraviolet detectors.The demonstration of its optical bistable properties in bulk and thin film forms also make ZnSe a possible candidate material for the building blocks of a digital optical computer. Despite this, developments in the crystal growth of bulk II-VI semiconductor materials has not advanced far enough to provide the low price, high quality substrates needed for the thin film growth technology. The electrical and optical properties of semiconductor materials depend on the native point defects, (the deviation from stoichiometry), and the impurity or dopant distribution. To date, the bulk growth of ZnSe substrates has been plagued with problems related to defects such as non-uniform distributions of native defects, impurities and dopants, lattice strain, dislocations, grain boundaries, and second phase inclusions which greatly effect the device performance. In the bulk crystal growth of some technologically important semiconductors, such as ZnTe, CdS, ZnSe and ZnS, vapor growth techniques have significant advantages over melt growth techniques due to the high melting points of these materials.

  7. First-principles investigations of the atomic, electronic, and thermoelectric properties of equilibrium and strained Bi2Se3 and Bi2Te3 including van der Waals interactions

    NASA Astrophysics Data System (ADS)

    Luo, Xin; Sullivan, Michael B.; Quek, Su Ying

    2012-11-01

    Bi2Se3 and Bi2Te3 are layered compounds of technological importance, being excellent thermoelectric materials as well as topological insulators. We report density functional theory calculations of the atomic, electronic, and thermoelectric properties of strained bulk and thin-film Bi2Se3 and Bi2Te3, focusing on an appropriate description of van der Waals (vdW) interactions. The calculations show that the van der Waals density functional (vdW-DF) with Cooper's exchange (vdW-DFC09x) can reproduce closely the experimental interlayer distances in unstrained Bi2Se3 and Bi2Te3. Interestingly, we predict atomic structures that are in much better agreement with the experimentally determined structure from Nakajima than that obtained from Wyckoff, especially for Bi2Se3, where the difference in atomic structures qualitatively changes the electronic band structure. The band structure obtained using the Nakajima structure and the vdW-DFC09x optimized structure are in much better agreement with previous reports of photoemission measurements, than that obtained using the Wyckoff structure. Using vdW-DFC09x to fully optimize atomic structures of bulk and thin-film Bi2Se3 and Bi2Te3 under different in-plane and uniaxial strains, we predict that the electronic bandgap of both the bulk materials and thin films decreases with tensile in-plane strain and increases with compressive in-plane strain. We also predict, using the semiclassical Boltzmann approach, that the magnitude of the n-type Seebeck coefficient of Bi2Te3 can be increased by the compressive in-plane strain while that of Bi2Se3 can be increased with tensile in-plane strain. Further, the in-plane power factor of n-doped Bi2Se3 can be increased with compressive uniaxial strain while that of n-doped Bi2Te3 can be increased by compressive in-plane strain. Strain engineering thus provides a direct method to control the electronic and thermoelectric properties in these thermoelectric topological insulator materials.

  8. Anisotropic superconducting properties of single-crystalline FeSe0.5Te0.5

    NASA Astrophysics Data System (ADS)

    Bendele, M.; Weyeneth, S.; Puzniak, R.; Maisuradze, A.; Pomjakushina, E.; Conder, K.; Pomjakushin, V.; Luetkens, H.; Katrych, S.; Wisniewski, A.; Khasanov, R.; Keller, H.

    2010-06-01

    Iron-chalcogenide single crystals with the nominal composition FeSe0.5Te0.5 and a transition temperature of Tc≃14.6K were synthesized by the Bridgman method. The structural and anisotropic superconducting properties of those crystals were investigated by means of single crystal x-ray and neutron powder diffraction, superconducting quantum interference device and torque magnetometry, and muon-spin rotation (μSR). Room temperature neutron powder diffraction reveals that 95% of the crystal volume is of the same tetragonal structure as PbO. The structure refinement yields a stoichiometry of Fe1.045Se0.406Te0.594 . Additionally, a minor hexagonal Fe7Se8 impurity phase was identified. The magnetic penetration depth λ at zero temperature obtained by means of μSR was found to be λab(0)=491(8)nm in the ab plane and λc(0)=1320(14)nm along the c axis. The zero-temperature value of the superfluid density ρs(0)∝λ-2(0) obeys the empirical Uemura relation observed for various unconventional superconductors, including cuprates and iron pnictides. The temperature dependences of both λab and λc are well described by a two-gap s+s -wave model with the zero-temperature gap values of ΔS(0)=0.51(3)meV and ΔL(0)=2.61(9)meV for the small and the large gap, respectively. The magnetic penetration depth anisotropy parameter γλ(T)=λc(T)/λab(T) increases with decreasing temperature, in agreement with γλ(T) observed in the iron-pnictide superconductors.

  9. Cadmium telluride (CdTe) and cadmium selenide (CdSe) leaching behavior and surface chemistry in response to pH and O2.

    PubMed

    Zeng, Chao; Ramos-Ruiz, Adriana; Field, Jim A; Sierra-Alvarez, Reyes

    2015-05-01

    Cadmium telluride (CdTe) and cadmium selenide (CdSe) are increasingly being applied in photovoltaic solar cells and electronic components. A major concern is the public health and ecological risks associated with the potential release of toxic cadmium, tellurium, and/or selenium species. In this study, different tests were applied to investigate the leaching behavior of CdTe and CdSe in solutions simulating landfill leachate. CdTe showed a comparatively high leaching potential. In the Toxicity Characteristic Leaching Procedure (TCLP) and Waste Extraction Test (WET), the concentrations of cadmium released from CdTe were about 1500 and 260 times higher than the regulatory limit (1 mg/L). In contrast, CdSe was relatively stable and dissolved selenium in both leaching tests was below the regulatory limit (1 mg/L). Nonetheless, the regulatory limit for cadmium was exceeded by 5- to 6- fold in both tests. Experiments performed under different pH and redox conditions confirmed a marked enhancement in CdTe and CdSe dissolution both at acidic pH and under aerobic conditions. These findings are in agreement with thermodynamic predictions. Taken as a whole, the results indicate that recycling of decommissioned CdTe-containing devices is desirable to prevent the potential environmental release of toxic cadmium and tellurium in municipal landfills.

  10. Electronic and magnetic properties of perfect, vacancy-doped, and nonmetal adsorbed MoSe2, MoTe2 and WS2 monolayers.

    PubMed

    Ma, Yandong; Dai, Ying; Guo, Meng; Niu, Chengwang; Lu, Jibao; Huang, Baibiao

    2011-09-14

    Very recently, two-dimensional nanosheets of MoSe(2), MoTe(2) and WS(2) were successfully synthesized experimentally [Science, 2011, 331, 568]. In the present work, the electronic and magnetic properties of perfect, vacancy-doped, and nonmetal element (H, B, C, N, O, and F) adsorbed MoSe(2), MoTe(2) and WS(2) monolayers are systematically investigated by means of first-principles calculations to give a detailed understanding of these materials. It is found that: (1) MoSe(2), MoTe(2) and WS(2) exhibit surprising confinement-induced indirect-direct-gap crossover; (2) among all the neutral native vacancies of MoSe(2), MoTe(2) and WS(2) monolayers, only the Mo vacancy in MoSe(2) can induce spin-polarization and long-range antiferromagnetic coupling; (3) adsorption of nonmetal elements on the surface of MoSe(2), MoTe(2) and WS(2) nanosheets can induce a local magnetic moment; H-absorbed WS(2), MoSe(2), and MoTe(2) monolayers and F-adsorbed WS(2) and MoSe(2) monolayers show long-range antiferromagnetic coupling between local moments even when their distance is as long as ∼12 Å. These findings are a useful addition to the experimental studies of these new synthesized two-dimensional nanosheets, and suggest a new route to facilitate the design of spintronic devices for complementing graphene. Further experimental studies are expected to confirm the attractive predictions. PMID:21808797

  11. Electronic and magnetic properties of perfect, vacancy-doped, and nonmetal adsorbed MoSe2, MoTe2 and WS2 monolayers.

    PubMed

    Ma, Yandong; Dai, Ying; Guo, Meng; Niu, Chengwang; Lu, Jibao; Huang, Baibiao

    2011-09-14

    Very recently, two-dimensional nanosheets of MoSe(2), MoTe(2) and WS(2) were successfully synthesized experimentally [Science, 2011, 331, 568]. In the present work, the electronic and magnetic properties of perfect, vacancy-doped, and nonmetal element (H, B, C, N, O, and F) adsorbed MoSe(2), MoTe(2) and WS(2) monolayers are systematically investigated by means of first-principles calculations to give a detailed understanding of these materials. It is found that: (1) MoSe(2), MoTe(2) and WS(2) exhibit surprising confinement-induced indirect-direct-gap crossover; (2) among all the neutral native vacancies of MoSe(2), MoTe(2) and WS(2) monolayers, only the Mo vacancy in MoSe(2) can induce spin-polarization and long-range antiferromagnetic coupling; (3) adsorption of nonmetal elements on the surface of MoSe(2), MoTe(2) and WS(2) nanosheets can induce a local magnetic moment; H-absorbed WS(2), MoSe(2), and MoTe(2) monolayers and F-adsorbed WS(2) and MoSe(2) monolayers show long-range antiferromagnetic coupling between local moments even when their distance is as long as ∼12 Å. These findings are a useful addition to the experimental studies of these new synthesized two-dimensional nanosheets, and suggest a new route to facilitate the design of spintronic devices for complementing graphene. Further experimental studies are expected to confirm the attractive predictions.

  12. Synthesis and Optical Properties of CdTe(x)Se(1-x)-Based Red to Near-Infrared Emitting Quantum Dots.

    PubMed

    Ma, Qian; Yue, Hanxiao; Zhu, Yuanna; Wang, Junpeng; Che, Quande; Shi, Ruixia; Yang, Ping

    2015-06-01

    A series of red to near-infrared (NIR) emitting quantum dots (QDs) with spherical morphologies and tunable photoluminescence (PL) properties have been synthesized by a facile organic route using octadecene (ODE) as solvent and oleic acid (OA) as single capping agent. CdSe cores with the average size of 4.5 nm display the typical optical behaviors with the PL emission peak around 610 nm. The coating CdZnS shells are introduced on the surface of CdSe cores for improving the photostability and PL efficiency of the initial QDs. As the thickness of CdZnS shells increasing, the gradual red-shift of emission wavelength varying from 617 to 634 nm of the resulting QDs can be observed, along with the remarkable increase of PL quantum yield (QY). The composition-dependent CdTe(x)Se(1-x) (CdTeSe) cores with the emission in NIR region are easily carried out by adjusting the molar ratio of Se/Te. The abnormal variation of optical bowling effect is mainly ascribed to the composition effect of alloyed QDs. Compared with CdTe0.1Se0.9/CdZnS core/shell QDs, the introducing of CdZnS shells on CdTe0.05Se0.95 cores can exhibit better passivation effect on surface status, consequently leading to the red-shifted emission peaks in the range of 739-752 nm with the maximum PL QY reaching up to 45.09%. The unique PL properties of CdTeSe-based QDs in the red to NIR range make these core/shell QDs attractive for future biological sensing and labeling applications. PMID:26369063

  13. Study of Third-Order Optical Nonlinearities of Se-Sn (Bi,Te) Quaternary Chalcogenide Thin Films Using Ti: Sapphire Laser in Femtosecond Regime

    NASA Astrophysics Data System (ADS)

    Yadav, Preeti; Sharma, Ambika

    2016-09-01

    The objective of the present research work is to study the nonlinear optical properties of quaternary Se-Sn (Bi,Te) chalcogenide thin films. A Z-scan technique utilizing 800 nm femtosecond laser source has been used for the determination of the nonlinear refractive index (n 2), two-photon absorption coefficient (β 2) and third-order susceptibility (χ (3)). In the measurement of n 2, an aperture is placed in the far field before the detector (closed aperture), while for the measurement of β 2, entire transmitted light is collected by the detector without an aperture (open aperture). Self-focusing has been observed in closed aperture transmission spectra. The appearance of the peak after the valley in this spectrum reflects the positive nonlinear refractive index. The calculated value of n 2 of the studied thin films varies from 1.06 × 10-12 cm2/W to 0.88 × 10-12 cm2/W. The compound-dependent behavior of n 2 is explained in this paper. We have also compared the experimental values of n 2 with the theoretically determined values, other compounds of chalcogenide glass and pure silica. The n 2 of the investigated thin films is found to be 3200 times higher than pure silica. The results of the open aperture Z-scan revealed that the value of β 2 of the studied compound is in the order of 10-8 cm/W. The behavior of two-photon absorption is described by means of the optical band gap (E g) of the studied compound. The variation in the figure-of-merit from 0.32 to 1.4 with varying Sn content is also reported in this paper. The higher value of nonlinearity makes this material advantageous for optical fibers, waveguides and optical limiting devices.

  14. Manipulation of structural and optical properties in charge-separating ZnTe/ZnSe chalcogenide core/shell semiconductor nanocrystals: Atomistic tight-binding theory

    NASA Astrophysics Data System (ADS)

    Sukkabot, Worasak

    2015-11-01

    The atomistic tight-binding theory (TB) is utilized to study the electronic structures and optical properties of type-II ZnTe/ZnSe chalcogenide core/shell nanocrystals. The purpose of the present study is to theoretically understand the atomistic impact of the ZnSe growth shell on the single-particle spectra, charge densities, optical band gaps, electron-hole overlaps and oscillation strengths. The sensitivity of ZnSe growth shell thickness in analyzing the electronic structures and optical properties of ZnTe/ZnSe core/shell nanocrystals reflects the charge separation of type-II band alignment. The comprehensive calculations of ZnTe/ZnSe core/shell nanocrystals are effectively manipulated by including and changing the ZnSe growth shell thickness. As a comparison, the atomistic tight-binding calculations demonstrate a reasonable agreement with effective mass approximation and experiment. Finally, the computations successfully discover the important factors of the growth shell on the natural behaviors of type-II ZnTe/ZnSe core/shell nanocrystals which affords a guideline to be implemented to the novel electronic cadmium-free nanodevices and the environmentally friendly applications.

  15. Moessbauer and magnetic studies of the ternary compound FeIn{sub 2}Se{sub 4}

    SciTech Connect

    Bodnar, I. V. Pauliukavets, S. A.; Trukhanov, S. V.; Fedotova, Yu. A.

    2012-05-15

    Single crystals of the ternary compound FeIn{sub 2}Se{sub 4} are grown by directional crystallization of the melt. The composition and structure of the single crystals are determined. The local states of iron ions in this compound are studied by nuclear {gamma}-resonance spectroscopy in transmission configuration. The temperature and field dependences of a specific magnetic moment for the ternary compound FeIn{sub 2}Se{sub 4} are measured in the temperature range 4-310 K in magnetic fields of 0-140 kOe. The reasons and mechanisms for magnetic state formation in single crystals of the obtained compound are discussed.

  16. Magnetic anisotropy in the frustrated spin-chain compound β -TeVO4

    NASA Astrophysics Data System (ADS)

    Weickert, F.; Harrison, N.; Scott, B. L.; Jaime, M.; Leitmäe, A.; Heinmaa, I.; Stern, R.; Janson, O.; Berger, H.; Rosner, H.; Tsirlin, A. A.

    2016-08-01

    Isotropic and anisotropic magnetic behavior of the frustrated spin-chain compound β -TeVO4 is reported. Three magnetic transitions observed in zero magnetic field are tracked in fields applied along different crystallographic directions using magnetization, heat capacity, and magnetostriction measurements. Qualitatively different temperature-field diagrams are obtained below 10 T for the field applied along a or b and along c , respectively. In contrast, a nearly isotropic high-field phase emerges above 18 T and persists up to the saturation that occurs around 22.5 T. Upon cooling in low fields, the transitions at TN 1 and TN 2 toward the spin-density-wave and stripe phases are of the second order, whereas the transition at TN 3 toward the helical state is of the first order and entails a lattice component. Our microscopic analysis identifies frustrated J1-J2 spin chains with a sizable antiferromagnetic interchain coupling in the b c plane and ferromagnetic couplings along the a direction. The competition between these ferromagnetic interchain couplings and the helical order within the chain underlies the incommensurate order along the a direction, as observed experimentally. While a helical state is triggered by the competition between J1 and J2 within the chain, the plane of the helix is not uniquely defined because of competing magnetic anisotropies. Using high-resolution synchrotron diffraction and 125Te nuclear magnetic resonance, we also demonstrate that the crystal structure of β -TeVO4 does not change down to 10 K, and the orbital state of V4 + is preserved.

  17. Electronic and mechanical properties of ZnX (X = S, Se and Te)--An ab initio study

    SciTech Connect

    Verma, Ajay Singh; Sharma, Sheetal; Jindal, Vijay Kumar; Sarkar, Bimal Kumar

    2011-12-12

    Zinc chalcogenides (ZnX, X = S, Se and Te) have been increasing attention as wide and direct band gap semiconductor for blue and ultraviolet optical devices. This paper analyzes electronic and mechanical properties of these materials by ab initio pseudo-potential method that uses non conserving pseudopotentials in fully nonlocal form, as implemented in SIESTA code. In this approach the local density approximation (LDA) is used for the exchange-correlation (XC) potential. The calculations are given for band gap, elastic constants (C{sub 11}, C{sub 12} and C{sub 44}), shear modulus, and Young's modulus. The results are in very good agreement with previous theoretical calculations and available experimental data.

  18. Accurate Ab Initio Quantum Mechanics Simulations of Bi2Se3 and Bi2Te3 Topological Insulator Surfaces.

    PubMed

    Crowley, Jason M; Tahir-Kheli, Jamil; Goddard, William A

    2015-10-01

    It has been established experimentally that Bi2Te3 and Bi2Se3 are topological insulators, with zero band gap surface states exhibiting linear dispersion at the Fermi energy. Standard density functional theory (DFT) methods such as PBE lead to large errors in the band gaps for such strongly correlated systems, while more accurate GW methods are too expensive computationally to apply to the thin films studied experimentally. We show here that the hybrid B3PW91 density functional yields GW-quality results for these systems at a computational cost comparable to PBE. The efficiency of our approach stems from the use of Gaussian basis functions instead of plane waves or augmented plane waves. This remarkable success without empirical corrections of any kind opens the door to computational studies of real chemistry involving the topological surface state, and our approach is expected to be applicable to other semiconductors with strong spin-orbit coupling.

  19. Size dependent acoustic phonon dynamics of CdTe0.68Se0.32 nanoparticles in borosilicate glass

    NASA Astrophysics Data System (ADS)

    Gupta, Sanjeev K.; Jha, Prafulla K.; Arora, A. K.

    2008-06-01

    Low frequency acoustic vibration and phonon linewidth for CdTe0.68Se0.32 nanoparticle embedded in borosilicate glass are calculated using two different approaches by considering the elastic continuum model and fixed boundary condition. The presence of medium significantly affects the phonon peaks and results into the broadening of the modes. The linewidth is found to depend inversely on the size, similar to that reported experimentally. The damping time and quality factor have also been calculated. The damping time that is of the order of picoseconds decreases with the decrease in size. High value of quality factor for l =2 normal mode suggests the less loss of energy for this mode.

  20. Structural and elastic properties of barium chalcogenides (BaX, X=O, Se, Te) under high pressure

    NASA Astrophysics Data System (ADS)

    Bhardwaj, Purvee; Singh, Sadhna; Gaur, Neeraj Kumar

    2008-06-01

    In the present paper we have investigated the high-pressure, structural phase transition of Barium chalcogenides (BaO, BaSe and BaTe) using a three-body interaction potential (MTBIP) approach, modified by incorporating covalency effects. Phase transition pressures are associated with a sudden collapse in volume. The phase transition pressures and associated volume collapses obtained from TBIP show a reasonably good agreement with experimental data. Here, the transition pressure, NaCl-CsCl structure increases with decreasing cation-to-anion radii ratio. In addition, the elastic constants and their combinations with pressure are also reported. It is found that TBP incorporating a covalency effect may predict the phase transition pressure, the elastic constants and the pressure derivatives of other chalcogenides as well.

  1. First-principles study of electronic and optical properties of BaS, BaSe and BaTe

    NASA Astrophysics Data System (ADS)

    Feng, Zhenbao; Hu, Haiquan; Lv, Zengtao; Cui, Shouxin

    2010-10-01

    The optimized crystal structure, energy band structures, density of states (DOS) and optical properties of BaX (X=S, Se and Te) were investigated by the full potential linearized augmented plane wave plus local orbitals method (FP-LAPW+lo). The exchange-correlation potential was treated using the generalized gradient approximation (GGA). We have used also Engel and Vosko GGA (EV-GGA) formalism to improve the band gap results. The calculated results such as band gaps, dielectric constants and reflectivity spectra showed good agreement with the experimental data. The effect of the spin-orbit coupling (SOC) on the optical properties was also studied and found to be very small, especially in the low-energy region.

  2. Evidence for orbital order and its relation to superconductivity in FeSe0.4Te0.6

    PubMed Central

    Singh, Udai R.; White, Seth C.; Schmaus, Stefan; Tsurkan, Vladimir; Loidl, Alois; Deisenhofer, Joachim; Wahl, Peter

    2015-01-01

    The emergence of nematic electronic states accompanied by a structural phase transition is a recurring theme in many correlated electron materials, including the high-temperature copper oxide– and iron-based superconductors. We provide evidence for nematic electronic states in the iron-chalcogenide superconductor FeSe0.4Te0.6 from quasi-particle scattering detected in spectroscopic maps. The symmetry-breaking states persist above Tc into the normal state. We interpret the scattering patterns by comparison with quasi-particle interference patterns obtained from a tight-binding model, accounting for orbital ordering. The relation to superconductivity and the influence on the coherence length are discussed. PMID:26601277

  3. Evidence for orbital order and its relation to superconductivity in FeSe0.4Te0.6.

    PubMed

    Singh, Udai R; White, Seth C; Schmaus, Stefan; Tsurkan, Vladimir; Loidl, Alois; Deisenhofer, Joachim; Wahl, Peter

    2015-10-01

    The emergence of nematic electronic states accompanied by a structural phase transition is a recurring theme in many correlated electron materials, including the high-temperature copper oxide- and iron-based superconductors. We provide evidence for nematic electronic states in the iron-chalcogenide superconductor FeSe0.4Te0.6 from quasi-particle scattering detected in spectroscopic maps. The symmetry-breaking states persist above T c into the normal state. We interpret the scattering patterns by comparison with quasi-particle interference patterns obtained from a tight-binding model, accounting for orbital ordering. The relation to superconductivity and the influence on the coherence length are discussed.

  4. Photo-induced athermal phase transitions of HgX (X = S, Se, Te) by ab initio study

    NASA Astrophysics Data System (ADS)

    Da-hua, Ren; Xin-lu, Cheng; Hong, Zhang

    2016-07-01

    Ab initio calculations of lattice constants, lattice stabilities of HgX (X = S, Se, Te) at different electronic temperatures (T e) have been performed within the density functional theory (DFT). We find that the lattice constants of HgX increase and the phonon frequencies reduce as T e increases. Especially the transverse-acoustic (TA) phonon frequencies of HgX gradually become negative with the elevation of the electron temperature. That is to say ultrafast intense laser induces lattice instabilities of HgX and athermal melting appears for the increase of laser intensity. What is more, with the X atom number increasing, the critical electronic temperatures of HgX are decreased in sequence. This result would be helpful for understanding the athermal melting processes for femtosecond laser micromachining. Project supported by the National Natural Science Foundation of China (Grant Nos. 11374217 and 11176020).

  5. Laser operation by dissociation of metal complexes. II - New transitions in Cd, Fe, Ni, Se, Sn, Te, V, and Zn

    NASA Technical Reports Server (NTRS)

    Chou, M. S.; Cool, T. A.

    1977-01-01

    The reported investigation is a continuation of a study conducted by Chou and Cool (1976). The experimental results discussed are partly related to laser transitions in Cd(I), Cd(II), and Zn(II). Laser transitions in Fe(I), Ni(I), Sn(I), Te(I), and V(I) are also considered along with the observation of a laser pulse with two peaks in connection with the study of laser transitions in Se(I). Experiments related to prospective visible laser operation in thallium at 6550 and 6714 are also discussed, giving attention to spontaneous emission measurements at 6550 and 5350 A, the effects of additive molecules, and laser cavity experiments at 6550 and 6714 A.

  6. Weak-antilocalization and surface dominated transport in topological insulator Bi{sub 2}Se{sub 2}Te

    SciTech Connect

    Gopal, Radha Krishna; Singh, Sourabh; Mitra, Chiranjib; Chandra, Ramesh

    2015-04-15

    We explore the phase coherence of thin films of the topological insulator material Bi{sub 2}Se{sub 2}Te grown through pulsed laser deposition (PLD) technique. The films were characterised using various techniques for phase and composition. The films were found to be of good quality. We carried out extensive magneto-transport studies of these films and found that they exhibit two dimensional weak antilocalization behaviour. A careful analysis revealed a relatively high phase coherence length (58nm at 1.78K) for a PLD grown film. Since PLD is an inexpensive technique, with the possibility to integrate with other materials, one can make devices which can be extremely useful for low power spintronics and topological quantum computation.

  7. Observation of multiple superconducting gaps in Fe1+y Se x Te 1-x through Andreev reflection

    NASA Astrophysics Data System (ADS)

    de, Debtanu; Diaz-Pinto, Carlos; Wu, Zheng; Hor, Pei-Herng; Peng, Haibing

    2011-03-01

    Iron-based superconductors have been under intensive study because of the high transition temperature and the intriguing physical mechanisms involving the superconductivity and magnetic orders. Theoretical studies on the role of spin fluctuation suggest unconventional S wave pairing and multiple superconducting (SC) gaps due to the five disjoint Fermi surfaces. However, this multiple SC-gap scenario has yet to be confirmed in experiments. Here we report the experimental observation of five SC gaps in Fe 1+y Se x Te 1-x from Andreev reflection spectra, along with negative differential conductance dips due to the pair breaking related to the largest SC gap. The evolution of the multiple SC gaps is further investigated as a function of both temperature and magnetic field. For the largest SC gap, the Andreev reflection signal persists above bulk Tc, suggesting the existence of phase incoherent Cooper pairs.

  8. Electrically tunable in-plane anisotropic magnetoresistance in topological insulator BiSbTeSe2 nanodevices.

    PubMed

    Sulaev, Azat; Zeng, Minggang; Shen, Shun-Qing; Cho, Soon Khuen; Zhu, Wei Guang; Feng, Yuan Ping; Eremeev, Sergey V; Kawazoe, Yoshiyuki; Shen, Lei; Wang, Lan

    2015-03-11

    We report tunable in-plane anisotropic magnetoresistance (AMR) in nanodevices based on topological insulator BiSbTeSe2 (BSTS) nanoflakes by electric gating. The AMR can be changed continuously from negative to positive when the Fermi level is manipulated to cross the Dirac point by an applied gate electric field. We also discuss effects of the gate electric field, current density, and magnetic field on the in-plane AMR with a simple physical model, which is based on the in-plane magnetic field induced shift of the spin-momentum locked topological two surface states that are coupled through side surfaces and bulk weak antilocalization (WAL). The large, tunable and bipolar in-plane AMR in BSTS devices provides the possibility of fabricating more sensitive logic and magnetic random access memory AMR devices.

  9. Study of B1 (NaCl-type) to B2 (CsCl-type) pressure-induced structural phase transition in BaS, BaSe and BaTe using first-principles computations

    NASA Astrophysics Data System (ADS)

    Khare, Sanjay; Zhou, Xiuquan; Roehl, Jason L.; Lind, Cora

    2013-03-01

    We have studied the pressure-induced phase transitions from NaCl-type (B1) to CsCl-type (B2) structure in BaS, BaSe and BaTe by using ab initio density functional theory computations in the local density approximation. The Buerger and WTM[2] mechanisms were explored by mapping the enthalpy contours in two and four dimensional configuration space for the two mechanisms, respectively. Transition pressures for BaS, BaSe and BaTe were determined to be 5.5 GPa, 4.9 GPa and 3.4 GPa, respectively. From these configuration space landscapes, a low enthalpy barrier path was constructed for the transitions to proceed at three different pressures. We obtained barriers of 0.18, 0.16 and 0.15 eV/pair (17.4, 15.4 and 14.5 kJ/mol) for the Buerger mechanism and 0.13, 0.13 and 0.12 eV/pair (12.5, 12.5 and 11.6 kJ/mol) for the WTM mechanism at the transition pressures for BaS, BaSe and BaTe, respectively, indicating that the WTM mechanism is slightly more favorable in these compounds. We describe the difference of the two mechanisms by differences in their symmetry and atomic coordination. National Science Foundation (#DMR 1005911, #DMR 0705464, #CMMI 1234777 and CNS 0855134), Ohio Supercomputer Center (OSC).

  10. Study of B1 (NaCl-type) to B2 (CsCl-type) pressure-induced structural phase transition in BaS, BaSe and BaTe using ab initio computations

    NASA Astrophysics Data System (ADS)

    Zhou, X.; Roehl, J. L.; Lind, C.; Khare, S. V.

    2013-02-01

    We have studied the pressure-induced phase transitions from NaCl-type (B1) to CsCl-type (B2) structure in BaS, BaSe and BaTe by using ab initio density functional theory computations in the local density approximation. The Buerger and WTM mechanisms were explored by mapping the enthalpy contours in two- and four-dimensional configuration space for the two mechanisms, respectively. Transition pressures for BaS, BaSe and BaTe were determined to be 5.5 GPa, 4.9 GPa and 3.4 GPa, respectively. From these configuration space landscapes, a low enthalpy barrier path was constructed for the transitions to proceed at three different pressures. We obtained barriers of 0.18, 0.16 and 0.15 eV/pair (17.4, 15.4 and 14.5 kJ mol-1) for the Buerger mechanism and 0.13, 0.13 and 0.12 eV/pair (12.5, 12.5 and 11.6 kJ mol-1) for the WTM mechanism at the transition pressures for BaS, BaSe and BaTe, respectively, indicating that the WTM mechanism is slightly more favorable in these compounds. We describe the difference between the two mechanisms by differences in their symmetry and atomic coordination.

  11. A series of new ternary and quaternary compounds in the Li(I)-Ga(III)-Te(IV)-O system.

    PubMed

    Kong, Fang; Xu, Xiang; Mao, Jiang-Gao

    2010-12-20

    Systematic explorations of new compounds in the Li(I)-Ga(III)-Te(IV)-O system led to two new isomeric ternary gallium tellurites, namely, α-Ga(2)(TeO(3))(3) and β-Ga(2)(TeO(3))(3), and two new quaternary lithium gallium tellurites, namely, HLi(2)Ga(3)(TeO(3))(6)(H(2)O)(6) and Li(9)Ga(13)Te(21)O(66). α-Ga(2)(TeO(3))(3) is a noncentrosymmetric structure (I4̅3d) and displays a moderately strong second-harmonic-generation response that is comparable with that of KDP (KH(2)PO(4)). Its structure features a condensed three-dimensional (3D) network alternatively connected by GaO(4) tetrahedra and TeO(3) trigonal pyramids via corner sharing. β-Ga(2)(TeO(3))(3) is centrosymmetric (P6(3)/m) and features a 3D open framework composed of Ga(2)O(9) dimers bridged by TeO(3) groups with one-dimensional (1D) 12-MR channels along the c axis. Although both HLi(2)Ga(3)(TeO(3))(6)(H(2)O)(6) and Li(9)Ga(13)Te(21)O(66) crystallized in the same space group R3̅, they belong to different structure types. The structure of HLi(2)Ga(3)(TeO(3))(6)(H(2)O)(6) can be viewed as the 1D tunnels of the 3D gallium tellurite being occupied by Li(+) and H(+) ions whereas the structure of Li(9)Ga(13)Te(21)O(66) is a complicated 3D framework composed of alternating gallium tellurite layers and GaO(6) octahedral layers with Li(+) cations being located at the cavities of the structure. Optical diffuse-reflectance spectrum measurements indicate that all four compounds are insulators and transparent in the range of 300-2500 nm.

  12. Thermoelectric properties of Bi{sub 2}Te{sub 3}, Sb{sub 2}Te{sub 3} and Bi{sub 2}Se{sub 3} single crystals with magnetic impurities

    SciTech Connect

    Kulbachinskii, V.A.; Kytin, V.G.; Kudryashov, A.A.; Tarasov, P.M.

    2012-09-15

    Temparature dependence of Seebeck coefficients S, electrical conductivity, heat conductivity k and dimensionless thermoelectric figure of merit ZT of p-Bi{sub 2}Te{sub 3}, Sb{sub 2}Te{sub 3} and n-Bi{sub 2}Se{sub 3}-doped by Fe or Cr were carried out in the temperature interval 7Te{sub 3}, while the electron concentration increases in n-Bi{sub 2-x}Fe{sub x}Se{sub 3}. The decrease of the hole concentration was observed in p-Sb{sub 2-x}Cr{sub x}Te{sub 3} single crystals with Cr-doping. This demonstrates that Fe or Cr act as donors. The Seebeck coefficient increases in p-Bi{sub 2-x}Fe{sub x}Te{sub 3} and Sb{sub 2-x}Cr{sub x}Te{sub 3} with increasing Fe or Cr content, while it decreases in n-Bi{sub 2-x}Fe{sub x}Se{sub 3}. Cr-doping increases dimensionless thermoelectric figure of merit ZT in Sb{sub 2}Te{sub 3} at T>150 K. - Graphical abstract: Temparature dependence of Seebeck coefficients S, electrical conductivity {sigma}, heat conductivity k and dimensionless thermoelectric figure of merit ZT of p-Bi{sub 2}Te{sub 3}, Sb{sub 2}Te{sub 3} and n-Bi{sub 2}Se{sub 3} doped by Fe or Cr were measured in the temperature interval 7Te{sub 3} and Sb{sub 2-x}Cr{sub x}Te{sub 3} with increasing Fe or Cr content, while it decreases in n-Bi{sub 2-x}Fe{sub x}Se{sub 3}. Cr-doping increases thermoelectric figure of merit in Sb{sub 2}Te{sub 3} at T>150 K up to ZT=0.4 as shown in figure. Highlights: Black-Right-Pointing-Pointer Fe and Cr act as donors in Bi{sub 2}Te{sub 3}, Sb{sub 2}Te{sub 3} and Bi{sub 2}Se{sub 3.} Black-Right-Pointing-Pointer The Seebeck coefficient increases in p-Bi{sub 2-x}Fe{sub x}Te{sub 3} and Sb{sub 2-x}Cr{sub x}Te{sub 3}. Black-Right-Pointing-Pointer Dimensionless figure of merit ZT increased up to 0.4 in Cr-doped Sb{sub 2}Te{sub 3} at

  13. High ZT in p-type (PbTe)1-2x(PbSe)x(PbS)x thermoelectric materials.

    PubMed

    Korkosz, Rachel J; Chasapis, Thomas C; Lo, Shih-han; Doak, Jeff W; Kim, Yoon Jun; Wu, Chun-I; Hatzikraniotis, Euripidis; Hogan, Timothy P; Seidman, David N; Wolverton, Chris; Dravid, Vinayak P; Kanatzidis, Mercouri G

    2014-02-26

    Lead chalcogenide thermoelectric systems have been shown to reach record high figure of merit values via modification of the band structure to increase the power factor or via nanostructuring to reduce the thermal conductivity. Recently, (PbTe)1-x(PbSe)x was reported to reach high power factors via a delayed onset of interband crossing. Conversely, the (PbTe)1-x(PbS)x was reported to achieve low thermal conductivities arising from extensive nanostructuring. Here we report the thermoelectric properties of the pseudoternary 2% Na-doped (PbTe)1-2x(PbSe)x(PbS)x system. The (PbTe)1-2x(PbSe)x(PbS)x system is an excellent platform to study phase competition between entropically driven atomic mixing (solid solution behavior) and enthalpy-driven phase separation. We observe that the thermoelectric properties of the PbTe-PbSe-PbS 2% Na doped are superior to those of 2% Na-doped PbTe-PbSe and PbTe-PbS, respectively, achieving a ZT ≈2.0 at 800 K. The material exhibits an increased the power factor by virtue of valence band modification combined with a very reduced lattice thermal conductivity deriving from alloy scattering and point defects. The presence of sulfide ions in the rock-salt structure alters the band structure and creates a plateau in the electrical conductivity and thermopower from 600 to 800 K giving a power factor of 27 μW/cmK(2). The very low total thermal conductivity values of 1.1 W/m·K of the x = 0.07 composition is accounted for essentially by phonon scattering from solid solution defects rather than the assistance of endotaxial nanostructures.

  14. Disorder-induced structural transitions in topological insulating Ge-Sb-Te compounds

    SciTech Connect

    Kim, Jeongwoo; Jhi, Seung-Hoon

    2015-05-21

    The mechanism for the fast switching between amorphous, metastable, and crystalline structures in chalcogenide phase-change materials has been a long-standing puzzle. Based on first-principles calculations, we study the atomic and electronic properties of metastable Ge{sub 2}Sb{sub 2}Te{sub 5} and investigate the atomic disorder to understand the transition between crystalline hexagonal and cubic structures. In addition, we study the topological insulating property embedded in these compounds and its evolution upon structural changes and atomic disorder. We also discuss the role of the surface-like states arising from the topological insulating property in the metal-insulator transition observed in the hexagonal structure.

  15. The Long Forgotten Compound: CoTe, and its Epitaxial Film Growth and Properties

    NASA Astrophysics Data System (ADS)

    Zhang, Zhiwei; Zhu, Zhihai; Hines, William A.; Budnick, Joseph I.; Wells, Barrett O.

    As part of our investigation of Co-doped, Fe-chalcogenide superconductors, we have synthesized films of CoTe; a long forgotten binary compound. Using pulsed laser deposition, we have grown epitaxial films on MgO, CaF2, and SrTiO3 and have found that careful control of growth conditions allows for the synthesis of either (001) or (101) oriented films. X-ray diffraction shows the structure of the films is hexagonal. However, we also find the surprising presence of the nominally disallowed (001) peak. We also report temperature dependent transport and magnetic properties. This material may be of interest as a magnetic semiconductor and for its relationship to chemically doping Fe-based superconductors. DOE/BES Contract DE-FG02-00ER45801.

  16. Effect of annealing temperature on photoelectrochemical properties of nanocrystalline MoBi2(Se0.5Te0.5)5 thin films

    NASA Astrophysics Data System (ADS)

    Salunkhe, Manauti; Pawar, Nita; Patil, P. S.; Bhosale, P. N.

    2014-10-01

    Nanocrystalline MoBi2(Se0.5Te0.5)5 thermoelectric thin films have been deposited on ultrasonically cleaned glass and FTO-coated glass substrates by Arrested Precipitation Technique. The change in properties of MoBi2(Se0.5Te0.5)5 thin films were examined after annealing at the temperature 473 K for 3 h. The structural, morphological, compositional and electrical properties of thin films were characterized by X-ray Diffraction, Scanning Electron Microscopy, Energy Dispersive Spectroscopy, etc. Thermoelectric properties of the thin films have been evaluated by measurements of electrical conductivity and Seebeck coefficient in the temperature range 300-500 K. Our aim is to investigate the effect of annealing on behaviour of MoBi2(Se0.5Te0.5)5 thin films along with photoelectrochemical properties.

  17. Significance of the whole rock Re-Os ages in cryptically and modally metasomatised cratonic peridotites: Constraints from HSE-Se-Te systematics

    NASA Astrophysics Data System (ADS)

    Luguet, Ambre; Behrens, Melanie; Pearson, D. Graham; König, Stephan; Herwartz, Daniel

    2015-09-01

    The Re-Os isotopic system is the geochronometer of choice to constrain the timing of lithospheric mantle root formation and reconstruct the evolution of Earth's dynamics from the "mantle" perspective. In order to constrain the effects of metasomatic processes on the Re-Os isotopic system, eleven peridotites from the Letlhakane kimberlite pipe were investigated for whole rock major and trace elements, highly siderophile elements (HSE), Se, Te and 187Os/188Os signatures. These spinel peridotites (SP), garnet peridotites (GP), garnet-phlogopite peridotites (GPP) and phlogopite peridotites (PP) experienced cryptic metasomatism and the GP-GPP-PP additionally constitute a sequence of increasing modal metasomatism. The cryptically metasomatised SP appear devoid of base metal sulphides (BMS) and show suprachondritic Se/Te ratios (15-40) and extremely Pd- and Pt-depleted HSE patterns. These features are characteristic of high-degree partial melting residues. Their 187Os/188Os signatures are thus considered to be inherited from the partial melting event. This implies a Neoarchean (2.5-2.8 Ga, TRD eruption) stabilisation of the Letlhakane mantle root and supports the Letlhakane mantle root being a westerly extension of the Zimbabwe cratonic root. The modally metasomatised peridotites contain BMS whose abundance significantly increases from the GPP to the GP and PP. The BMS-poor GPP are only slightly richer in Pt and Pd than the BMS-free SP but have similarly high Se/Te ratios. The BMS-rich GP and PP exhibit significant enrichments in Pt, Pd, Se, Te resulting in HSE-Se-Te signatures similar to that of the Primitive Upper Mantle (PUM). Addition of 0.001-0.05 wt.% metasomatic BMS ± PGM (platinum group minerals, i.e., Pt-tellurides) to highly refractory residues, such as the Letlhakane SP, reproduce well the HSE-Se-Te systematics observed in the BMS-poor and BMS-rich modally metasomatised peridotites. In the GPP, the negligible addition of metasomatic BMS ± PGM did not disturb

  18. Enhanced Electronic Transport Properties of Se-Doped SnTe1-xSex Nanoparticles by Microwave-Assisted Solvothermal Method

    NASA Astrophysics Data System (ADS)

    Wang, Lijun; Zheng, Shuqi; Chen, Hong

    2016-10-01

    Pure lead-free SnTe has limited thermoelectric potentials because of its low Seebeck coefficients and its relatively large thermal conductivity. Herein, we report on the enhanced electronic transport properties of selenium (Se) doped tin telluride (SnTe1-xSex) nanoparticles (NPs) synthesized by a rapid microwave-assisted solvothermal method and subsequent spark plasma sintering (SPS). Se-doped SnTe NPs, consisting of regular octahedral NPs with sizes from 1.5 μm to 300 nm, are synthesized with sufficient Se doping contents, and detailed structural characterizations reveal a large fraction of grain boundaries in our nanostructures, which is conducive to phonon scattering. Here we demonstrate that it is possible to enlarge the band gap by tuning the doping and composition, ultimately enhancing the power factor. As a result, a power factor value of ˜10.45 μW/cmK2 is attained at 773 K for the SnTe0.97Se0.03 sample, which is 35% higher than that of an undoped SnTe sample. This synthesis and assembly approach provides strategic guidance for maximizing the power factor by nanocrystallization and doping.

  19. Aqueous-Processed Inorganic Thin-Film Solar Cells Based on CdSe(x)Te(1-x) Nanocrystals: The Impact of Composition on Photovoltaic Performance.

    PubMed

    Zeng, Qingsen; Chen, Zhaolai; Zhao, Yue; Du, Xiaohang; Liu, Fangyuan; Jin, Gan; Dong, Fengxia; Zhang, Hao; Yang, Bai

    2015-10-21

    Aqueous processed nanocrystal (NC) solar cells are attractive due to their environmental friendliness and cost effectiveness. Controlling the bandgap of absorbing layers is critical for achieving high efficiency for single and multijunction solar cells. Herein, we tune the bandgap of CdTe through the incorporation of Se via aqueous process. The photovoltaic performance of aqueous CdSexTe1-x NCs is systematically investigated, and the impacts of charge generation, transport, and injection on device performance for different compositions are deeply discussed. We discover that the performance degrades with the increasing Se content from CdTe to CdSe. This is mainly ascribed to the lower conduction band (CB) of CdSexTe1-x with higher Se content, which reduces the driving force for electron injection into TiO2. Finally, the performance is improved by mixing CdSexTe1-x NCs with conjugated polymer poly(p-phenylenevinylene) (PPV), and power conversion efficiency (PCE) of 3.35% is achieved based on ternary NCs. This work may provide some information to further optimize the aqueous-processed NC and hybrid solar cells.

  20. Structural and compositional dependence of the CdTexSe1-x alloy layer photoactivity in CdTe-based solar cells

    NASA Astrophysics Data System (ADS)

    Poplawsky, Jonathan D.; Guo, Wei; Paudel, Naba; Ng, Amy; More, Karren; Leonard, Donovan; Yan, Yanfa

    2016-07-01

    The published external quantum efficiency data of the world-record CdTe solar cell suggests that the device uses bandgap engineering, most likely with a CdTexSe1-x alloy layer to increase the short-circuit current and overall device efficiency. Here atom probe tomography, transmission electron microscopy and electron beam-induced current are used to clarify the dependence of Se content on the photoactive properties of CdTexSe1-x alloy layers in bandgap-graded CdTe solar cells. Four solar cells were prepared with 50, 100, 200 and 400 nm-thick CdSe layers to reveal the formation, growth, composition, structure and photoactivity of the CdTexSe1-x alloy with respect to the degree of Se diffusion. The results show that the CdTexSe1-x layer photoactivity is highly dependent on the crystalline structure of the alloy (zincblende versus wurtzite), which is also dependent on the Se and Te concentrations.

  1. Structural and compositional dependence of the CdTexSe1-x alloy layer photoactivity in CdTe-based solar cells

    DOE PAGES

    Poplawsky, Jonathan D.; Guo, Wei; Paudel, Naba; Ng, Amy; More, Karren; Leonard, Donovan; Yan, Yanfa

    2016-07-27

    The published external quantum efficiency data of the world-record CdTe solar cell suggests that the device uses bandgap engineering, most likely with a CdTexSe1₋x alloy layer to increase the short-circuit current and overall device efficiency. Here atom probe tomography, transmission electron microscopy and electron beam-induced current are used to clarify the dependence of Se content on the photoactive properties of CdTexSe1₋x alloy layers in bandgap-graded CdTe solar cells. Four solar cells were prepared with 50, 100, 200 and 400 nm-thick CdSe layers to reveal the formation, growth, composition, structure and photoactivity of the CdTexSe1₋x alloy with respect to the degreemore » of Se diffusion. Finally, the results show that the CdTexSe1₋x layer photoactivity is highly dependent on the crystalline structure of the alloy (zincblende versus wurtzite), which is also dependent on the Se and Te concentrations.« less

  2. Structural and compositional dependence of the CdTexSe1-x alloy layer photoactivity in CdTe-based solar cells.

    PubMed

    Poplawsky, Jonathan D; Guo, Wei; Paudel, Naba; Ng, Amy; More, Karren; Leonard, Donovan; Yan, Yanfa

    2016-01-01

    The published external quantum efficiency data of the world-record CdTe solar cell suggests that the device uses bandgap engineering, most likely with a CdTexSe1-x alloy layer to increase the short-circuit current and overall device efficiency. Here atom probe tomography, transmission electron microscopy and electron beam-induced current are used to clarify the dependence of Se content on the photoactive properties of CdTexSe1-x alloy layers in bandgap-graded CdTe solar cells. Four solar cells were prepared with 50, 100, 200 and 400 nm-thick CdSe layers to reveal the formation, growth, composition, structure and photoactivity of the CdTexSe1-x alloy with respect to the degree of Se diffusion. The results show that the CdTexSe1-x layer photoactivity is highly dependent on the crystalline structure of the alloy (zincblende versus wurtzite), which is also dependent on the Se and Te concentrations. PMID:27460872

  3. Structural and compositional dependence of the CdTexSe1−x alloy layer photoactivity in CdTe-based solar cells

    PubMed Central

    Poplawsky, Jonathan D.; Guo, Wei; Paudel, Naba; Ng, Amy; More, Karren; Leonard, Donovan; Yan, Yanfa

    2016-01-01

    The published external quantum efficiency data of the world-record CdTe solar cell suggests that the device uses bandgap engineering, most likely with a CdTexSe1−x alloy layer to increase the short-circuit current and overall device efficiency. Here atom probe tomography, transmission electron microscopy and electron beam-induced current are used to clarify the dependence of Se content on the photoactive properties of CdTexSe1−x alloy layers in bandgap-graded CdTe solar cells. Four solar cells were prepared with 50, 100, 200 and 400 nm-thick CdSe layers to reveal the formation, growth, composition, structure and photoactivity of the CdTexSe1−x alloy with respect to the degree of Se diffusion. The results show that the CdTexSe1−x layer photoactivity is highly dependent on the crystalline structure of the alloy (zincblende versus wurtzite), which is also dependent on the Se and Te concentrations. PMID:27460872

  4. Effect of vacancies on the structure and properties of Ga{sub 2}(Se{sub 0.33}Te{sub 0.67}){sub 3}

    SciTech Connect

    Abdul-Jabbar, N. M.; Forrest, T. R.; Gronsky, R.; Bourret-Courchesne, E. D.; Wirth, B. D.

    2015-08-28

    Ga{sub 2}(Se{sub 0.33}Te{sub 0.67}){sub 3} belongs to a family of materials with large intrinsic vacancy concentrations that are being actively studied due to their potential for diverse applications that include thermoelectrics and phase-change memory. In this article, the Ga{sub 2}(Se{sub 0.33}Te{sub 0.67}){sub 3} structure is investigated via synchrotron x-ray diffraction, electron microscopy, and x-ray absorption experiments. Diffraction and microscopy measurements showed that the extent of vacancy ordering in Ga{sub 2}(Se{sub 0.33}Te{sub 0.67}){sub 3} is highly dependent on thermal annealing. It is posited that stoichiometric vacancies play a role in local atomic distortions in Ga{sub 2}(Se{sub 0.33}Te{sub 0.67}){sub 3} (based on the fine structure signals in the collected x-ray absorption spectra). The effect of vacancy ordering on Ga{sub 2}(Se{sub 0.33}Te{sub 0.67}){sub 3} material properties is also examined through band gap and Hall effect measurements, which reveal that the Ga{sub 2}(Se{sub 0.33}Te{sub 0.67}){sub 3} band gap redshifts by ≈0.05 eV as the vacancies order and accompanied by gains in charge carrier mobility. The results serve as an encouraging example of altering material properties via intrinsic structural rearrangement as opposed to extrinsic means, such as doping.

  5. Stability, Reactivity, and Constituent Interaction in TiSe2-Based Metastable Misfit Layer Compounds Synthesized from Designed Amorphous Precursors

    NASA Astrophysics Data System (ADS)

    Merrill, Devin R.

    A series of intergrowth compounds with the basic formula [(MSe) 1+delta]m(TiSe2)n are reported. The compounds are prepared from modulated elemental reactants and display interesting structural and electronic behavior. Section 1 of this dissertation outlines initial attempts to characterize constituent interaction. The first member of the SnSe based subclass is reported and displays the highest Seebeck coefficient of any m = n = 1 compound reported to date, and a surprising amount of order is observed, compared to previously reported compounds. With properly established deposition parameters, the synthesis was extended to included the m = 2-4 compounds. These compounds display interesting electronic behavior that suggests the band structure shifts considerably as the SnSe block is expanded, affecting the interaction between the constituent layers. The first compound based on BiSe is then reported, suggesting that the Bi structure donates more conduction electrons to the band structure. Targeted substitution through kinetic control is the focus of Section 2, and a family of (PbxSn1-xSe)1+deltaTiSe 2 is reported over the entire range of x, even though a miscibility gap exists in the bulk PbxSn1-xSe system. The resulting alloyed intergrowth compounds also display equal or higher mobility than the end members, suggesting modulation doping could be used to affect transport properties. As a proof of principle, the analogous system based on a Bi xSn1-xSe constituent was prepared to attempt to systematically affect carrier concentration. It was found that while carrier concentration can be controlled, the evolving structure affects the doping efficiency of the Bi atoms and mobility in the structure. Section 3 outlines attempts to form higher order TiSe2-based heterostructures and the important chemical considerations observed during the preparation of these materials. The 3 component systems in the Pb-Sn-Ti-Se system can be formed at low temperature, with SnSe2 rather than

  6. Y{sub 2}MoSe{sub 3}O{sub 12} and Y{sub 2}MoTe{sub 3}O{sub 12}: Solid-state synthesis, structure determination, and characterization of two new quaternary mixed metal oxides containing asymmetric coordination environment

    SciTech Connect

    Bang, Seong-eun; Pan, Zhi; Kim, Yeong Hun; Lee, Dong Woo; Ok, Kang Min

    2013-12-15

    Two new quaternary yttrium molybdenum selenium/tellurium oxides, Y{sub 2}MoSe{sub 3}O{sub 12} and Y{sub 2}MoTe{sub 3}O{sub 12} have been prepared by standard solid-state reactions using Y{sub 2}O{sub 3}, MoO{sub 3}, and SeO{sub 2} (or TeO{sub 2}) as reagents. Single-crystal X-ray diffraction was used to determine the crystal structures of the reported materials. Although both of the materials contain second-order Jahn–Teller (SOJT) distortive cations and are stoichiometrically similar, they reveal different structural features: while Y{sub 2}MoSe{sub 3}O{sub 12} shows a three-dimensional framework consisting of YO{sub 8}, MoO{sub 6}, and SeO{sub 3} groups, Y{sub 2}MoTe{sub 3}O{sub 12} exhibits a layered structure composed of YO{sub 8}, MoO{sub 4}, TeO{sub 3}, and TeO{sub 4} polyhedra. With the Mo{sup 6+} cations in Y{sub 2}MoSe{sub 3}O{sub 12}, a C{sub 3}-type intraoctahedral distortion toward a face is observed, in which the direction of the out-of-center distortion for Mo{sup 6+} is away from the oxide ligand linked to a Se{sup 4+} cation. The Se{sup 4+} and Te{sup 4+} cations in both materials are in asymmetric coordination environment attributed to the lone pairs. Elemental analyses, infrared spectroscopy, thermal analyses, intraoctahedral distortions, and dipole moment calculations for the compounds are also presented. - Graphical abstract: Y{sub 2}MoSe{sub 3}O{sub 12} reveals a three-dimensional framework consisting of YO{sub 8}, MoO{sub 6}, and SeO{sub 3} polyhedra, whereas Y{sub 2}MoTe{sub 3}O{sub 12} exhibits a layered structure composed of YO{sub 8}, MoO{sub 4}, TeO{sub 3}, and TeO{sub 4} groups. - Highlights: • Two new selenite and tellurite (Y{sub 2}MoQ{sub 3}O{sub 12}; Q=Se and Te) are synthesized. • Y{sub 2}MoQ{sub 3}O{sub 12} contain second-order Jahn–Teller distortive cations in asymmetric environments. • The intra-octahedral distortion of the Mo{sup 6+} is influenced by the Se{sup 4+}.

  7. Structural and Thermal Diffusivity Studies of Polycrystalline (CuSe)1-xSex Metal Chalcogenide Compound

    NASA Astrophysics Data System (ADS)

    Josephine, L. Y. C.; Talib, Z. A.; Yunus, W. M. M.; Zainal, Z.; Moksin, M. M.; Lim, K. P.; Yusoff, W. D. W.

    2007-05-01

    This paper reports the preparation and the characterization of the (CuSe)1-xSex metal chalcogenide semiconductor compounds with different stoichiometric compositions of Se (x = 0, 0.2, 0.4, 0.5, 0.6, 0.8, 1.0) in bulk form. The (CuSe)1-xSex compounds were prepared using the solid state reaction by varying the ratio of CuSe:Se in the reaction mixture. X-ray powder diffraction analysis is used to identify and measure the mass absorption coefficient of the (CuSe)1-xSex compounds to support the thermal diffusivity behaviour. The thermal diffusivity of the polycrystalline (CuSe)1-xSex compounds were measured and analyzed for the first time, using the photoflash technique. The thermal diffusivity values were determined to be in the range of 2.524 × 10-3 cm 2 /s to 1.125 × 10-2 cm 2 /s. It was found that the thermal diffusivity value tends to decrease as the parameter x increases. The relationship between the thermal diffusivity, mass absorption coefficient and density of the (CuSe)1-xSex are discussed in detail.

  8. Zintl anions from the extraction of zintl phases with non-amine solvents: isolation of (Me/sub 4/N)/sub 4/Sn/sub 9/, (K(HMPA)/sub 2/)/sub 4/Sn/sub 9/, and K/sub 4/SnTe/sub 4/ and structural characterization of (Bu/sub 4/N)/sub 2/M/sub x/ (M = Te, x = 5; M = Se, x = 6; M = S, x = 6)

    SciTech Connect

    Teller, R.G.; Krause, L.J.; Haushalter, R.C.

    1983-01-01

    Polyatomic main-group anions like Sn/sub 9//sup 4 -/, Te/sub 5//sup 2 -/, Se/sub 6//sup 2 -/, S/sub 6//sup 2 -/, and SnTe/sub 4//sup 4 -/ have been isolated without the use of cryptate ligands. The polychalcogenides (Bu/sub 4/N)/sub 2/M/sub x/ (where M = Te, x = 5; M = Se, x = 6; M = S, x = 6; Bu = n-C/sub 4/H/sub 9/) are obtained by the aqueous extraction of binary alkali-metal/main-group alloys in the presence of Bu/sub 4/NBr. These polychalcogenides are isomorphous and have been structurally characterized by x-ray crystallography. The nonastannide(4-) anion has been isolated both as the tetrakis(tetramethylammonium) compound, ((CH/sub 3/)N)3$Sn/sub 9/, and as the HMPA (hexamethylphosphoric triamide) solvate, (K(HMPA)/sup 2/)/sub 4/Sn/sub 9/. Both compounds are somewhat thermally unstable at 25/sup 0/C. The compound K/sub 4/SnTe/sub 4/ has been isolated by the aqueous extraction of ternary K/Sn/Te alloys. 44 references, 2 figures, 1 table.

  9. Ordered defect compounds in CuInSe{sub 2} for photovoltaic solar cell application

    SciTech Connect

    Sato, K.; Katayama-Yoshida, H.

    2014-02-21

    Due to the complete compensation, defect complex (2V{sub Cu}+In{sub Cu}), namely two Cu vacancies and In located at Cu site, is stable in CuInSe{sub 2} (CIS). It is known that the series of ordered defect compounds (ODC) are constracted by ordering the defect complex. Based on the total energy calcalation by using the Korringa-Kohn-Rostoker coherent potential approxiamtion (KKR-CPA) method, we discuss phase separation of the CIS with the defect complexes into ODC and CIS. Since the band alignment between ODC and CIS is calculated to be type 2, effective electron-hole separation at the interface between ODC and CIS can be expected. This causes the enhancement of conversion efficiency of CIS-based solar cell materials.

  10. Theoretical calculations of structural, electronic, and elastic properties of CdSe1‑x Te x : A first principles study

    NASA Astrophysics Data System (ADS)

    M, Shakil; Muhammad, Zafar; Shabbir, Ahmed; Muhammad Raza-ur-rehman, Hashmi; M, A. Choudhary; T, Iqbal

    2016-07-01

    The plane wave pseudo-potential method was used to investigate the structural, electronic, and elastic properties of CdSe1‑x Te x in the zinc blende phase. It is observed that the electronic properties are improved considerably by using LDA+U as compared to the LDA approach. The calculated lattice constants and bulk moduli are also comparable to the experimental results. The cohesive energies for pure CdSe and CdTe binary and their mixed alloys are calculated. The second-order elastic constants are also calculated by the Lagrangian theory of elasticity. The elastic properties show that the studied material has a ductile nature.

  11. Fermi level tuning of topological insulator Bi{sub 2}(Se{sub x}Te{sub 1-x}){sub 3} nanoplates

    SciTech Connect

    Hao Guolin; Qi Xiang; Xue Lin; Cai Canying; Li Jun; Wei Xiaolin; Zhong Jianxin

    2013-01-14

    The crystal structures and morphologies of ternary Bi{sub 2}(Se{sub x}Te{sub 1-x}){sub 3} nanoplates have been systematically characterized by employing atomic force microscopy, scanning electron microscopy, high-resolution transmission electron microscopy equipped with the energy dispersive X-ray spectrometer, and the X-ray diffraction. We find that the Bi{sub 2}(Se{sub x}Te{sub 1-x}){sub 3} nanoplates exhibit uniform charge and surface potential distributions. And their Fermi levels can be effectively tuned up to 0.23 eV by varying the selenium/tellurium composition ratios.

  12. Unusually Slow Electron Cooling to Charge-Transfer State in Gradient CdTeSe Alloy Nanocrystals Mediated through Mn Atom.

    PubMed

    Debnath, Tushar; Maiti, Sourav; Ghosh, Hirendra N

    2016-04-01

    We have synthesized Mn-doped CdTeSe gradient alloy nanocrystals (NCs) by a colloidal synthetic method, and charge carrier dynamics have been revealed through ultrafast transient absorption (TA) spectroscopy. Due to the reactivity difference between Te and Se, a CdTe-rich core and CdSe-rich shell have been formed in the CdTeSe alloy with the formation of a gradient type II core-shell structure. Electron paramagnetic resonance studies suggest Mn atoms are located in the surface of the alloy NCs. Steady-state optical absorption and emission studies suggest formation of a charge-transfer (CT) state in which electrons are localized in a CdSe-rich shell and holes are localized in a CdTe-rich core which appears in the red region of the spectra. Electron transfer in the CT state is found to take place in the Marcus inverted region. To understand charge-transfer dynamics in the CdTeSe alloy NCs and to determine the effect of Mn doping on the alloy, ultrafast transient absorption studies have been carried out. In the case of the undoped alloy, formation of the CT state is found to take place through electron relaxation to the conduction band of the CT state with a time of 600 fs and through hole relaxation (from the CdSe-rich state to the CdTe-rich state) to the valence band of the CT state with a time scale of 1 ps. However, electron relaxation in the presence of Mn dopants takes place initially via an electron transfer to the Mn 3d state (d(5)) followed by transfer from the Mn 3d state (d(6)) to the CT state, which has been found to take place with a >700 ps time scale in addition to the hole relaxation time of 2 ps. Charge recombination time of the CT state is found to be extremely slow in the Mn-doped CdTeSe alloy NCs as compared to the undoped one, where the Mn atom acts as an electron storage center.

  13. Effect of thermal annealing on structure and optical band gap of Se{sub 66}Te{sub 25}In{sub 9} thin films

    SciTech Connect

    Dwivedi, D. K.; Pathak, H. P.; Shukla, Nitesh; Kumar, Vipin

    2015-05-15

    Thin films of a-Se{sub 66}Te{sub 25}In{sub 9} have been deposited onto a chemically cleaned glass substrate by thermal evaporation technique under vacuum. Glassy nature of the films has been ascertained by X-ray diffraction pattern. The analysis of absorption spectra, measured at normal incidence, in the spectral range 400-1100 nm has been used for the optical characterization of thin films under investigation. The effect of thermal annealing on structure and optical band gap (E{sub g}) of a-Se{sub 66}Te{sub 25}In{sub 9} have been studied.

  14. Electrical injection and detection of spin-polarized currents in topological insulator Bi2Te2Se.

    PubMed

    Tian, Jifa; Miotkowski, Ireneusz; Hong, Seokmin; Chen, Yong P

    2015-01-01

    Topological insulators (TIs) are an unusual phase of quantum matter with nontrivial spin-momentum-locked topological surface states (TSS). The electrical detection of spin-momentum-locking of TSS has been lacking till very recently. Many of the results are from samples with significant bulk conduction, such as Bi2Se3, where it can be challenging to separate the surface and bulk contribution to the spin signal. Here, we report spin potentiometric measurements in flakes exfoliated from bulk insulating Bi2Te2Se crystals, using two outside nonmagnetic contacts for driving a DC spin helical current and a middle ferromagnetic (FM)-Al2O3 contact for detecting spin polarization. The voltage measured by the FM electrode exhibits a hysteretic step-like change when sweeping an in-plane magnetic field between opposite directions along the easy axis of the FM contact. Importantly, the direction of the voltage change can be reversed by reversing the direction of current, and the amplitude of the change as measured by the difference in the detector voltage between opposite FM magnetization increases linearly with increasing current, consistent with the current-induced spin polarization of spin-momentum-locked TSS. Our work directly demonstrates the electrical injection and detection of spin polarization in TI and may enable utilization of TSS for applications in nanoelectronics and spintronics.

  15. Electrical injection and detection of spin-polarized currents in topological insulator Bi2Te2Se

    NASA Astrophysics Data System (ADS)

    Tian, Jifa; Miotkowski, Ireneusz; Hong, Seokmin; Chen, Yong P.

    2015-09-01

    Topological insulators (TIs) are an unusual phase of quantum matter with nontrivial spin-momentum-locked topological surface states (TSS). The electrical detection of spin-momentum-locking of TSS has been lacking till very recently. Many of the results are from samples with significant bulk conduction, such as Bi2Se3, where it can be challenging to separate the surface and bulk contribution to the spin signal. Here, we report spin potentiometric measurements in flakes exfoliated from bulk insulating Bi2Te2Se crystals, using two outside nonmagnetic contacts for driving a DC spin helical current and a middle ferromagnetic (FM)-Al2O3 contact for detecting spin polarization. The voltage measured by the FM electrode exhibits a hysteretic step-like change when sweeping an in-plane magnetic field between opposite directions along the easy axis of the FM contact. Importantly, the direction of the voltage change can be reversed by reversing the direction of current, and the amplitude of the change as measured by the difference in the detector voltage between opposite FM magnetization increases linearly with increasing current, consistent with the current-induced spin polarization of spin-momentum-locked TSS. Our work directly demonstrates the electrical injection and detection of spin polarization in TI and may enable utilization of TSS for applications in nanoelectronics and spintronics.

  16. Structural transition and enhanced phase transition properties of Se doped Ge2Sb2Te5 alloys

    PubMed Central

    Vinod, E. M.; Ramesh, K.; Sangunni, K. S.

    2015-01-01

    Amorphous Ge2Sb2Te5 (GST) alloy, upon heating crystallize to a metastable NaCl structure around 150°C and then to a stable hexagonal structure at high temperatures (≥250°C). It has been generally understood that the phase change takes place between amorphous and the metastable NaCl structure and not between the amorphous and the stable hexagonal phase. In the present work, it is observed that the thermally evaporated (GST)1-xSex thin films (0 ≤ x ≤ 0.50) crystallize directly to the stable hexagonal structure for x ≥ 0.10, when annealed at temperatures ≥ 150°C. The intermediate NaCl structure has been observed only for x < 0.10. Chemically ordered network of GST is largely modified for x ≥ 0.10. Resistance, thermal stability and threshold voltage of the films are found to increase with the increase of Se. The contrast in electrical resistivity between the amorphous and crystalline phases is about 6 orders of magnitude. The increase in Se shifts the absorption edge to lower wavelength and the band gap widens from 0.63 to 1.05 eV. Higher resistance ratio, higher crystallization temperature, direct transition to the stable phase indicate that (GST)1-xSex films are better candidates for phase change memory applications. PMID:25634224

  17. Structural transition and enhanced phase transition properties of Se doped Ge2Sb2Te5 alloys

    NASA Astrophysics Data System (ADS)

    Vinod, E. M.; Ramesh, K.; Sangunni, K. S.

    2015-01-01

    Amorphous Ge2Sb2Te5 (GST) alloy, upon heating crystallize to a metastable NaCl structure around 150°C and then to a stable hexagonal structure at high temperatures (>=250°C). It has been generally understood that the phase change takes place between amorphous and the metastable NaCl structure and not between the amorphous and the stable hexagonal phase. In the present work, it is observed that the thermally evaporated (GST)1-xSex thin films (0 <= x <= 0.50) crystallize directly to the stable hexagonal structure for x >= 0.10, when annealed at temperatures >= 150°C. The intermediate NaCl structure has been observed only for x < 0.10. Chemically ordered network of GST is largely modified for x >= 0.10. Resistance, thermal stability and threshold voltage of the films are found to increase with the increase of Se. The contrast in electrical resistivity between the amorphous and crystalline phases is about 6 orders of magnitude. The increase in Se shifts the absorption edge to lower wavelength and the band gap widens from 0.63 to 1.05 eV. Higher resistance ratio, higher crystallization temperature, direct transition to the stable phase indicate that (GST)1-xSex films are better candidates for phase change memory applications.

  18. Electrical injection and detection of spin-polarized currents in topological insulator Bi2Te2Se

    PubMed Central

    Tian, Jifa; Miotkowski, Ireneusz; Hong, Seokmin; Chen, Yong P.

    2015-01-01

    Topological insulators (TIs) are an unusual phase of quantum matter with nontrivial spin-momentum-locked topological surface states (TSS). The electrical detection of spin-momentum-locking of TSS has been lacking till very recently. Many of the results are from samples with significant bulk conduction, such as Bi2Se3, where it can be challenging to separate the surface and bulk contribution to the spin signal. Here, we report spin potentiometric measurements in flakes exfoliated from bulk insulating Bi2Te2Se crystals, using two outside nonmagnetic contacts for driving a DC spin helical current and a middle ferromagnetic (FM)-Al2O3 contact for detecting spin polarization. The voltage measured by the FM electrode exhibits a hysteretic step-like change when sweeping an in-plane magnetic field between opposite directions along the easy axis of the FM contact. Importantly, the direction of the voltage change can be reversed by reversing the direction of current, and the amplitude of the change as measured by the difference in the detector voltage between opposite FM magnetization increases linearly with increasing current, consistent with the current-induced spin polarization of spin-momentum-locked TSS. Our work directly demonstrates the electrical injection and detection of spin polarization in TI and may enable utilization of TSS for applications in nanoelectronics and spintronics. PMID:26391089

  19. Colossal magnetoelectric effect in Co3TeO6 family of compounds

    NASA Astrophysics Data System (ADS)

    Artyukhin, Sergey; Oh, Yoon Seok; Yang, Jun Jie; Zapf, Vivien; Kim, Jae Wook; Cheong, Sang-Wook; Vanderbilt, David

    2014-03-01

    Multiferroic Co3TeO6 and related materials attracted much attention recently due to their rich phase diagrams, magnetic field - driven electric polarization and incommensurate spin structures. We model the interacting magnetic and ferroelectric degrees of freedom in these compounds with Landau-type theory and calculate the phase diagram. Comparison of our results with experiment reveals that a particular magnetic anisotropy in some of the compounds results in a second-order spin-flop transition, associated with a large change of polarization. In the vicinity of the transition the spin-flopped phase can be stabilized by a small external magnetic field, which gives rise to a colossal magnetoelectric effect, recently demostrated experimentally. Furthermore, we analyze the types of domain walls that can occur in these materials, and study their interactions. The clamping of domain walls of different types enables the cross-control of ferroic orderings, although they may not be coupled in the bulk. We corraborate our results with ab-initio computations of the polarization, piezoelectric response and optical properties. Our results could pave the way to the design of a new generation of magnetoelectric devices. The work at Rutgers University was supported by the NSF under Grant NSF-DMREF-1233349.

  20. Imaging atomic-scale effects of high-energy ion irradiation on superconductivity and vortex pinning in Fe(Se,Te).

    PubMed

    Massee, Freek; Sprau, Peter Oliver; Wang, Yong-Lei; Davis, J C Séamus; Ghigo, Gianluca; Gu, Genda D; Kwok, Wai-Kwong

    2015-05-01

    Maximizing the sustainable supercurrent density, J C, is crucial to high-current applications of superconductivity. To achieve this, preventing dissipative motion of quantized vortices is key. Irradiation of superconductors with high-energy heavy ions can be used to create nanoscale defects that act as deep pinning potentials for vortices. This approach holds unique promise for high-current applications of iron-based superconductors because J C amplification persists to much higher radiation doses than in cuprate superconductors without significantly altering the superconducting critical temperature. However, for these compounds, virtually nothing is known about the atomic-scale interplay of the crystal damage from the high-energy ions, the superconducting order parameter, and the vortex pinning processes. We visualize the atomic-scale effects of irradiating FeSe x Te1-x with 249-MeV Au ions and find two distinct effects: compact nanometer-sized regions of crystal disruption or "columnar defects," plus a higher density of single atomic site "point" defects probably from secondary scattering. We directly show that the superconducting order is virtually annihilated within the former and suppressed by the latter. Simultaneous atomically resolved images of the columnar crystal defects, the superconductivity, and the vortex configurations then reveal how a mixed pinning landscape is created, with the strongest vortex pinning occurring at metallic core columnar defects and secondary pinning at clusters of point-like defects, followed by collective pinning at higher fields.

  1. Imaging atomic-scale effects of high-energy ion irradiation on superconductivity and vortex pinning in Fe(Se,Te).

    PubMed

    Massee, Freek; Sprau, Peter Oliver; Wang, Yong-Lei; Davis, J C Séamus; Ghigo, Gianluca; Gu, Genda D; Kwok, Wai-Kwong

    2015-05-01

    Maximizing the sustainable supercurrent density, J C, is crucial to high-current applications of superconductivity. To achieve this, preventing dissipative motion of quantized vortices is key. Irradiation of superconductors with high-energy heavy ions can be used to create nanoscale defects that act as deep pinning potentials for vortices. This approach holds unique promise for high-current applications of iron-based superconductors because J C amplification persists to much higher radiation doses than in cuprate superconductors without significantly altering the superconducting critical temperature. However, for these compounds, virtually nothing is known about the atomic-scale interplay of the crystal damage from the high-energy ions, the superconducting order parameter, and the vortex pinning processes. We visualize the atomic-scale effects of irradiating FeSe x Te1-x with 249-MeV Au ions and find two distinct effects: compact nanometer-sized regions of crystal disruption or "columnar defects," plus a higher density of single atomic site "point" defects probably from secondary scattering. We directly show that the superconducting order is virtually annihilated within the former and suppressed by the latter. Simultaneous atomically resolved images of the columnar crystal defects, the superconductivity, and the vortex configurations then reveal how a mixed pinning landscape is created, with the strongest vortex pinning occurring at metallic core columnar defects and secondary pinning at clusters of point-like defects, followed by collective pinning at higher fields. PMID:26601180

  2. CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES: Phase Transition and Phonon Spectrum of Zinc-Blende Structure ZnX (X = S, Se, Te)

    NASA Astrophysics Data System (ADS)

    Tan, Jia-Jin; Ji, Guang-Fu; Chen, Xiang-Rong; Gou, Qing-Quan

    2010-06-01

    Calculations have been performed to investigate the pressure-induced solid-solid phase transitions and the mechanical stability for three zinc-blende II-VI semiconductor compounds: ZnS, ZnSe, ZnTe by ab initio plane-wave pseudopotential density functional theory (DFT). Using the generalized gradient approximation (GGA) for exchange and correlation in the scheme of Perdew-Wang 1991 (PW91), the ground state properties and equation of state are obtained, which are well consistent with the experimental data available and other calculations. On the basis of the forth-order Birch-Murnaghan equation of states, the transition pressures Pt are determined through the analysis of enthalpy variation with pressure. A linear-response approach is used to calculate the frequencies of the phonon dispersion. Finally, by the calculations of phonon frequencies, some thermodynamic properties such as the vibrational contribution to the Helmholtz free energy (F), enthalpy (H), entropy (S), and the heat capacity (CV) are also successfully obtained.

  3. Compositional homogeneity and X-ray topographic analyses of CdTexSe1-x grown by the vertical Bridgman technique

    SciTech Connect

    Roy, U. N.; Bolotnikov, A. E.; Camarda, G. S.; Cui, Y.; Hossain, A.; Lee, K.; Lee, W.; Tappero, R.; Yang, Ge; Cui, Y.; Burger, A.; James, R. B.

    2015-02-01

    We grew CdTexSe1-x crystals with nominal Se concentrations of 5%, 7%, and 10% by the vertical Bridgman technique, and evaluated their compositional homogeneity and structural quality at the NSLS’ X-ray fluorescence and white beam X-ray topography beam lines. Both X-ray fluorescence and photoluminescence mapping revealed very high compositional homogeneity of the CdTexSe1-x crystals. Here, we noted that those crystals with higher concentrations of Se were more prone to twinning than those with a lower content. The crystals were fairly free from strains and contained low concentrations of sub-grain boundaries and their networks.

  4. Anion substitution effects on the structure and magnetism of the chromium chalcogenide Cr{sub 5}Te{sub 8}-Part III: Structures and magnetism of the high-temperature modification Cr{sub (1+x)}Q{sub 2} and the low-temperature modification Cr{sub (5+x)}Q{sub 8} (Q=Te, Se; Te:Se=5:3)

    SciTech Connect

    Wontcheu, Joseph; Bensch, Wolfgang Mankovsky, Sergiy; Polesya, Svitlana; Ebert, Hubert; Kremer, Reinhard K.; Bruecher, Eva

    2008-06-15

    The title compounds were synthesized via the high-temperature (HT) route. The materials are characterized by Rietveld analysis, magnetic measurements, and electronic band-structure calculations. Two different structural modifications depending on the synthesis conditions are observed: a HT modification with trigonal basic cells (space group: P-3m1) for Cr{sub (1+x)}Q{sub 2} ((1+x)=1.25, 1.28, 1.34, 1.37, 1.41, 1.43) and a low-temperature (LT) modification with trigonal super-cell (space group: P-3m1) for Cr{sub (5+x)}Q{sub 8} ((5+x)=5.00, 5.12, 5.36, 5.48, 5.64, 5.72). The crystal structures are closely related to the NiAs-type structure with metal vacancies in every second metal layer. The substitution of Te by Se and the change of the Cr concentration induce significant alterations of the magnetic properties. With increasing Cr content the Weiss constant {theta} changes drastically from negative to strong positive values, i.e., with increasing Cr concentration a shift from predominant antiferromagnetic exchange to ferromagnetic exchange occurs. At LTs a complex magnetic behavior is observed. For some members a spin-glass (SG) behavior is found with the freezing temperature T{sub f} following the Vogel-Fulcher law. At the highest Cr concentrations ferromagnetic characteristics dominate with spontaneous magnetizations below the Curie temperatures. The differences of the magnetic properties of the LT and HT phases can be explained on the basis of interatomic distances and angles. For a deeper understanding of the experimental results, they have been compared with the results of spin polarized relativistic Korringa-Kohn-Rostoker electronic band-structure calculations and both results are consistent. To explain the features of temperature-dependent magnetization of the compounds, Monte Carlo (MC) simulations based on the Heisenberg model have been performed with the exchange coupling parameters obtained within the ab-initio calculations of the electronic structure

  5. Characterization of Electronic Materials HgZnSe and HgZnTe Using Innovative and Conventional Techniques

    NASA Technical Reports Server (NTRS)

    Tanton, George; Kesmodel, Roy; Burden, Judy; Su, Ching-Hua; Cobb, Sharon D.; Lehoczky, S. L.

    2000-01-01

    HgZnSe and HgZnTe are electronic materials of interest for potential IR detector and focal plane array applications due to their improved strength and compositional stability over HgCdTe, but they are difficult to grow on Earth and to fully characterize. Conventional contact methods of characterization, such as Hall and van der Paw, although adequate for many situations are typically labor intensive and not entirely suitable where only very small samples are available. To adequately characterize and compare properties of electronic materials grown in low earth orbit with those grown on Earth, innovative techniques are needed that complement existing methods. This paper describes the implementation and test results of a unique non-contact method of characterizing uniformity, mobility, and carrier concentration together with results from conventional methods applied to HgZnSe and HgZnTe. The innovative method has advantages over conventional contact methods since it circumvents problems of possible contamination from alloying electrical contacts to a sample and also has the capability to map a sample. Non- destructive mapping, the determination of the carrier concentration and mobility at each place on a sample, provides a means to quantitatively compare, at high spatial resolution, effects of microgravity on electronic properties and uniformity of electronic materials grown in low-Earth orbit with Earth grown materials. The mapping technique described here uses a 1mm diameter polarized beam of radiation to probe the sample. Activation of a magnetic field, in which the sample is placed, causes the plane of polarization of the probe beam to rotate. This Faraday rotation is a function of the free carrier concentration and the band parameters of the material. Maps of carrier concentration, mobility, and transmission generated from measurements of the Faraday rotation angles over the temperature range from 300K to 77K will be presented. New information on band parameters

  6. Preparation and characterization of pulsed laser deposited a novel CdS/CdSe composite window layer for CdTe thin film solar cell

    NASA Astrophysics Data System (ADS)

    Yang, Xiaoyan; Liu, Bo; Li, Bing; Zhang, Jingquan; Li, Wei; Wu, Lili; Feng, Lianghuan

    2016-03-01

    A novel CdS/CdSe composite window structure was designed and then the corresponding films were prepared by pulsed laser deposition as an improved window layer for CdTe-based solar cells. Two types of this composite window structure with 5 cycles and 10 cycles CdS/CdSe respectively both combined with CdS layers were prepared at 200 °C compared with pure CdS window layer and finally were applied into CdTe thin film solar cells. The cross section and surface morphology of the two composite window layers were monitored by using scanning electron microscopy and the result shows that the pulsed laser deposited composite window layers with good crystallinity are stacking together as the design. The devices based on CdS/CdSe composite window layers have demonstrated the enhanced photocurrent collection from both short and long wavelength regions compared to CdS/CdTe solar cell. The efficiency of the best reference CdS/CdTe solar cell was 10.72%. And the device with 5 cycles CdS/CdSe composite window showed efficiency of 12.61% with VOC of 772.92 mV, JSC of 25.11 mA/cm2 and FF of 64.95%. In addition, there are some differences which exist within the optical transmittance spectra and QE curves between the two CdS/CdSe composite window samples, indicating that the volume proportion of CdSe may influence the performance of CdTe thin film solar cell.

  7. Theoretical study of HgCr2Se3.5Te0.5: a doping-site-dependent semimetal.

    PubMed

    Yu, Xiang-Long; Jin, Yuan-Jun; Wu, Jiansheng

    2016-01-01

    Weyl semimetals have recently attracted enormous attention due to their unusual features. So far, this novel state has been predicted theoretically and confirmed experimentally in several materials, such as HgTe, LaPtBi, Y2Ir2O7, TaAs, TaP, NbAs, NbP and HgCr2Se4. Doping plays an important role in the research of condensed-matter materials. However, its influence on the Weyl semimetal has been little investigated. Here, we present detailed first-principles and theoretical studies on HgCr2Se4 with doping of Te atoms at the Se sites. A special case where only one pair of crossing points locates at the Fermi level is realized in HgCr2Se3.5Te0.5 where one of the Se atoms in the primitive unit cell is replaced by a Te atom. A further study of k·p theory shows that the two points constitute a pair of Weyl nodes with opposite chiralities in the momentum space, and only one edge state and one single Fermi arc are obtained at each boundary of a film. Moreover, through investigations and analyses of different doping cases of HgCr2Se3.5Te0.5, we find that when the type of doping induces inversion symmetry or positional disorder, the Weyl nodes transform into Dirac points resulting in a change from a Weyl semimetal to a Dirac semimetal. PMID:27480923

  8. Theoretical study of HgCr2Se3.5Te0.5: a doping-site-dependent semimetal

    PubMed Central

    Yu, Xiang-Long; Jin, Yuan-Jun; Wu, Jiansheng

    2016-01-01

    Weyl semimetals have recently attracted enormous attention due to their unusual features. So far, this novel state has been predicted theoretically and confirmed experimentally in several materials, such as HgTe, LaPtBi, Y2Ir2O7, TaAs, TaP, NbAs, NbP and HgCr2Se4. Doping plays an important role in the research of condensed-matter materials. However, its influence on the Weyl semimetal has been little investigated. Here, we present detailed first-principles and theoretical studies on HgCr2Se4 with doping of Te atoms at the Se sites. A special case where only one pair of crossing points locates at the Fermi level is realized in HgCr2Se3.5Te0.5 where one of the Se atoms in the primitive unit cell is replaced by a Te atom. A further study of k·p theory shows that the two points constitute a pair of Weyl nodes with opposite chiralities in the momentum space, and only one edge state and one single Fermi arc are obtained at each boundary of a film. Moreover, through investigations and analyses of different doping cases of HgCr2Se3.5Te0.5, we find that when the type of doping induces inversion symmetry or positional disorder, the Weyl nodes transform into Dirac points resulting in a change from a Weyl semimetal to a Dirac semimetal. PMID:27480923

  9. Towards a predictive route for selection of doping elements for the thermoelectric compound PbTe from first-principles

    NASA Astrophysics Data System (ADS)

    Joseph, Elad; Amouyal, Yaron

    2015-05-01

    Striving for improvements of the thermoelectric (TE) properties of the technologically important lead telluride (PbTe) compound, we investigate the influence of different doping elements on the thermal conductivity, Seebeck coefficient, and electrical conductivity applying density functional theory calculations. Our approach combines total-energy calculations yielding lattice vibrational properties with the Boltzmann transport theory to obtain electronic transport properties. We find that doping with elements from the 1st and 3rd columns of the periodic table reduces the sound velocity and, consequently, the lattice thermal conductivity, while 2nd column dopants have no such influence. Furthermore, 1.6 at. % doping with 4th and 5th column elements provides the highest reduction of lattice thermal conductivity. Out of this group, Hf doping results in maximum reduction of the sound velocity from 2030 m s-1 for pure PbTe to 1370 m s-1, which is equivalent to ca. 32% reduction of lattice thermal conductivity. The highest power factor values calculated for 1.6 at. % doping range between 40 and 56 μW cm-1 K-2, and are obtained for substitution with dopants having the same valence as Pb or Te, such as those located at the 2nd, 14th, and 16th columns of the periodic table. We demonstrate how this method may be generalized for dopant-selection-oriented materials design aimed at improving TE performance of other compounds.

  10. Pauli-limited effect in the magnetic phase diagram of FeSe{sub x}Te{sub 1−x} thin films

    SciTech Connect

    Zhuang, J. C.; Li, Z.; Xu, X.; Wang, L.; Yeoh, W. K.; Wang, X. L.; Du, Y. E-mail: zxshi@seu.edu.cn Dou, S. X. E-mail: zxshi@seu.edu.cn; Xing, X. Z.; Shi, Z. X. E-mail: zxshi@seu.edu.cn

    2015-11-30

    We present a detailed investigation on the doping dependence of the upper critical field H{sub c2}(T) of FeSe{sub x}Te{sub 1−x} thin films (0.18 ≤ x ≤ 0.90) by measuring the electrical resistivity as a function of magnetic field. The H{sub c2}(T) curves exhibit a downturn behavior with decreasing temperature in all the samples, owing to the Pauli-limited effect (spin paramagnetic effect). The Pauli-limited effect on the upper critical field can be monotonically modulated by variation of the Se/Te composition. Our results show that Te-doping induced disorder and excess Fe atoms give rise to enhancement of the Pauli-limited effect.

  11. Catalyst-free vapour-solid technique for deposition of Bi2Te3 and Bi2Se3 nanowires/nanobelts with topological insulator properties

    NASA Astrophysics Data System (ADS)

    Andzane, J.; Kunakova, G.; Charpentier, S.; Hrkac, V.; Kienle, L.; Baitimirova, M.; Bauch, T.; Lombardi, F.; Erts, D.

    2015-09-01

    We present a simple two-stage vapour-solid synthesis method for the growth of bismuth chalcogenide (Bi2Te3, Bi2Se3) topological insulator nanowires/nanobelts by using Bi2Se3 or Bi2Te3 powders as source materials. During the first stage of the synthesis process nanoplateteles, serving as ``catalysts'' for further nanowire/nanobelt growth, are formed. At a second stage of the synthesis, the introduction of a N2 flow at 35 Torr pressure in the chamber induces the formation of free standing nanowires/nanobelts. The synthesised nanostructures demonstrate a layered single-crystalline structure and Bi : Se and Bi : Te ratios 40 : 60 at% for both Bi2Se3 and Bi2Te3 nanowires/nanobelts. The presence of Shubnikov de Haas oscillations in the longitudinal magneto-resistance of the nanowires/nanobelts and their specific angular dependence confirms the existence of 2D topological surface states in the synthesised nanostructures.

  12. Catalyst-free vapour-solid technique for deposition of Bi2Te3 and Bi2Se3 nanowires/nanobelts with topological insulator properties.

    PubMed

    Andzane, J; Kunakova, G; Charpentier, S; Hrkac, V; Kienle, L; Baitimirova, M; Bauch, T; Lombardi, F; Erts, D

    2015-10-14

    We present a simple two-stage vapour-solid synthesis method for the growth of bismuth chalcogenide (Bi2Te3, Bi2Se3) topological insulator nanowires/nanobelts by using Bi2Se3 or Bi2Te3 powders as source materials. During the first stage of the synthesis process nanoplateteles, serving as "catalysts" for further nanowire/nanobelt growth, are formed. At a second stage of the synthesis, the introduction of a N2 flow at 35 Torr pressure in the chamber induces the formation of free standing nanowires/nanobelts. The synthesised nanostructures demonstrate a layered single-crystalline structure and Bi : Se and Bi : Te ratios 40 : 60 at% for both Bi2Se3 and Bi2Te3 nanowires/nanobelts. The presence of Shubnikov de Haas oscillations in the longitudinal magneto-resistance of the nanowires/nanobelts and their specific angular dependence confirms the existence of 2D topological surface states in the synthesised nanostructures. PMID:26365282

  13. First-principles study on the electronic and magnetic properties of the Zn0.75Mo0.25M(M = S,Se,Te)

    NASA Astrophysics Data System (ADS)

    Yin, Zhu-Hua; Zhang, Jian-Min; Xu, Ke-Wei

    2016-07-01

    The geometrical, electronic and magnetic properties of the Zn0.75Mo0.25M (M=S, Se and Te) have been studied by spin-polarized first-principles calculation. The optimized lattice constants of 5.535, 5.836 and 6.274 Å for M=S, Se and Te are related to the atomic radius of 1.09, 1.22 and 1.42 Å for S, Se and Te atoms, respectively. The Zn0.75Mo0.25M are magnetic half-metallic (HM) with the spin-down conventional band gaps of 2.899, 2.126 and 1.840 eV, while the HM band gaps of 0.393, 0.016 and 0.294 eV for M=S, Se and Te, respectively. At the Fermi level, the less than half-filled Mo-4d orbital hybridizated with the less M-p orbital contributes only spin-up channel leading Zn0.75Mo0.25M an HM ferromagnetism. The tetrahedral crystal field formed by adjacent three Zn atoms and one M atom splits the spin-up channel (majority spin) of Mo-4d orbital into three-fold degenerate t2g(dxy,dyz,dzx) states at the Fermi level and double degenerate eg (dz2,dx2-y2) states below the Fermi level. The exchange splitting energies of the Zn0.75Mo0.25M are -2.611, -2.231 and -1.717 eV for M=S, Se and Te, respectively. The results provide an useful theoretical guidance for Zn0.75Mo0.25M applications in spintronic devices.

  14. Avalanche breakdown in GaTa4Se(8-x)Te(x) narrow-gap Mott insulators.

    PubMed

    Guiot, V; Cario, L; Janod, E; Corraze, B; Phuoc, V Ta; Rozenberg, M; Stoliar, P; Cren, T; Roditchev, D

    2013-01-01

    Mott transitions induced by strong electric fields are receiving growing interest. Recent theoretical proposals have focused on the Zener dielectric breakdown in Mott insulators. However, experimental studies are still too scarce to conclude about the mechanism. Here we report a study of the dielectric breakdown in the narrow-gap Mott insulators GaTa4Se(8-x)Te(x). We find that the I-V characteristics and the magnitude of the threshold electric field (Eth) do not correspond to a Zener breakdown, but rather to an avalanche breakdown. Eth increases as a power law of the Mott-Hubbard gap (Eg), in surprising agreement with the universal law Eth is proportional to Eg(2.5) reported for avalanche breakdown in semiconductors. However, the delay time for the avalanche that we observe in Mott insulators is over three orders of magnitude greater than in conventional semiconductors. Our results suggest that the electric field induces local insulator-to-metal Mott transitions that create conductive domains that grow to form filamentary paths across the sample.

  15. Comment on 'Precision global measurements of London penetration depth in FeTe0.58Se0.42'

    SciTech Connect

    Cho, Kyuil; Kim, Hyunsoo; Tanatar, Makariy A.; Prozorov, Ruslan

    2012-08-21

    We reply to the Comment by Klein, Rodière, and Marcenat [ Phys. Rev. B 86 066501 (2012)] on our paper [ Phys. Rev. B 84 174502 (2011)]. Our work was motivated by Klein et al. [ Phys. Rev. B 82 184506 (2010)]. In their paper, Klein et al. have attributed a factor of 5 difference in the value of the London penetration depth obtained from their tunnel diode resonator (TDR) measurements and calculated from the “field of first penetration”to the surface roughness, although they have not verified it experimentally. In our paper, we have studied the effects of deliberately introduced surface roughness and found that its effects are minor and cannot be responsible for the difference of such magnitude. Instead, we suggest that the value of the field of first penetration measured with Hall arrays cannot be used to extract a true lower critical field due to several reasons outlined in our Reply. We emphasize that the accuracy of the calibration procedure of the TDR technique has been carefully verified in several prior studies and our work on FeTe0.58Se0.42 further confirms it. We show that in their Comment, Klein et al. use wrong arguments of the universal behavior of the superfluid density in the gapless limit, because it is inapplicable for the multiband superconductors. We also discuss the applicability of the clean-limit γ model and the influence of the disorder on the obtained results.

  16. Effect of Sn doping on nonlinear optical properties of quaternary Se-Sn-(Bi,Te) chalcogenide thin films

    NASA Astrophysics Data System (ADS)

    Yadav, Preeti; Sharma, Ambika

    2015-08-01

    The aim of this work is to report the effect of Sn doping on the third order nonlinear optical properties of chalcogenide Se84-xTe15Bi1.0Snx thin films. Melt quenching technique has been used for the preparation of bulk chalcogenide glasses. Thin films of the studied composition are deposited on cleaned glass substrate by thermal evaporation technique. Optical band gap (Eg) is calculated by using Tauc extrapolation method and is found to increase from 1.27 eV to 1.64 eV with the incorporation of Sn content. Stryland approach is utilized for the calculation of two photon absorption coefficient (β2). The nonlinear refractive index (n2) and third order susceptibility (χ(3) are calculated using Tichy and Ticha approach. The result shows that nonlinear refractive index (n2) follows the same trend as that of linear refractive index (n). The values of n2 of studied composition as compared to pure silica are 1000-5000 times higher.

  17. Study on Corrosion Performance of Cu-Te-Se Alloys in a 3.5% Sodium Chloride Solution

    NASA Astrophysics Data System (ADS)

    Jiao, Lin; Li, Meng; Zeng, Tao; Zhu, Dachuan

    2015-11-01

    Samples of Cu-Te-Se alloys, previously aged or treated as a solid solution, were immersed in 3.5% (mass fraction) sodium chloride solution to investigate their corrosion resistance at room temperature by determining their corrosive weight loss. The morphologies of the precipitated phase and surface products following immersion were observed by scanning electron microscope. In addition, energy-dispersive spectroscopic analysis was used to determine the elemental constituents of precipitated phase and corroded surface of the alloy samples. The phase composition was measured by x-ray diffraction, and the electrochemical polarization behavior of the samples was determined using an electrochemical workstation. The experimental results revealed that the alloy samples appeared to corrode uniformly, which was accompanied by a small amount of localized corrosion. There was the possibility that localized corrosion could increase following aging treatment. The addition of a small amount of tellurium and selenium to the alloy appeared to retard oxygen adsorption on the copper in the alloy, which has ameliorated the alloy corrosion due to the similar physical and chemical properties of oxygen. In comparison to the solid solution state, the corrosion resistance of the alloy appeared to decline slightly following aging treatment.

  18. Kondo Effect in CeXc (Xc = S, Se, Te) Studied by Electrical Resistivity Measurements under High Pressure

    NASA Astrophysics Data System (ADS)

    Hayashi, Yuya; Takai, Shun; Matsumura, Takeshi; Tanida, Hiroshi; Sera, Masafumi; Matsubayashi, Kazuyuki; Uwatoko, Yoshiya; Ochiai, Akira

    2016-03-01

    We have measured the electrical resistivity of cerium monochalcogenides, CeS, CeSe, and CeTe, under high pressures of up to 8 GPa. The pressure dependences of the antiferromagnetic ordering temperature TN, crystal field splitting, and the ln T anomaly of the Kondo effect have been studied to cover the entire region from the magnetic ordering regime at low pressure to the Fermi liquid regime at high pressure. TN initially increases with increasing pressure, and starts to decrease at high pressure as expected from Doniach’s diagram. Simultaneously, the ln T behavior in the resistivity is enhanced, indicating the enhancement of the Kondo effect by pressure. It is also characteristic of CeXc that the crystal field splitting rapidly decreases at a common rate of -12.2 K/GPa. This leads to the increase in the degeneracy of the f state and the further enhancement of the Kondo effect. It is shown that the pressure-dependent degeneracy of the f state is a key factor for understanding the pressure dependence of TN, the Kondo effect, magnetoresistance, and the peak structure in the temperature dependence of resistivity.

  19. Synthesis of a potential semiconductor neutron detector crystal LiGa(Se/Te)2: materials purity and compatibility effects

    NASA Astrophysics Data System (ADS)

    Stowe, Ashley C.; Morrell, J.; Battacharya, Pijush; Tupitsyn, Eugene; Burger, Arnold

    2011-09-01

    Lithium containing AIBIIICVI semiconductors are being considered as alternative materials for room temperature neutron detection. One of the primary challenges in growing a high quality crystal of such a material is the reactivity of lithium metal. The presence of nitrides, oxides, and a variety of alkali and alkaline earth metal impurities prevent pure synthesis and truncate crystal growth by introducing multiple nucleation centers during growth. Multiple lithium metal purification methods have been investigated which ultimately raised the metal purity to 99.996%. Multi-cycle vacuum distillation removed all but 40 ppm of metal impurities in lithium metal. LiGa(Se/Te)2 was then synthesized with the high purity lithium metal by a variety of conditions. Lithium metal reacts violently with many standard crucible materials, and thermodynamic studies were undertaken to insure that an appropriate crucible choice was made, with high purity iron and boron nitride crucibles being the least reactive practical materials. Once conditions were optimized for synthesis of the chalcopyrite, vertical Bridgman crystal growth resulted in red crystals. The optical, electronic, and thermodynamic properties were collected.

  20. Spinodally Decomposed PbSe-PbTe Nanoparticles for High-Performance Thermoelectrics: Enhanced Phonon Scattering and Unusual Transport Behavior.

    PubMed

    Kim, Min-Seok; Lee, Woo-Jin; Cho, Ki-Hyun; Ahn, Jae-Pyoung; Sung, Yun-Mo

    2016-07-26

    Dramatic enhancements in the figure of merit have been obtained in bulk thermoelectric materials by doping, band engineering, and nanostructuring. Especially, in p-type thermoelectrics, high figure of merits near 2.0 have been reported in a few papers through the reduction in lattice thermal conductivity and the advancement in power factors. However, there exists no report on the n-type systems showing high figure of merits because of their intrinsically low Seebeck coefficients. Here, we demonstrate that a nanostructured bulk n-type thermoelectric material that was assembled by sintering spinodally decomposed lead chalcogenide nanoparticles having a composition of PbSe0.5Te0.5 reaches a high figure of merit of 1.85. The spinodally decomposed nanoparticles permit our thermoelectric material to have extremely low lattice thermal conductivity and a high power factor as a result of nanostructuring, electronic optimization, insertion of an impurity phase and phase change in local areas. We propose that this interesting concept would be one of the promising approaches that overcome limitation arising from the fact that most parameters in the figure of merit are closely correlated. PMID:27397515

  1. Effect of Electron-Hole Overlap and Exchange Interaction on Exciton Radiative Lifetimes of CdTe/CdSe Heteronanocrystals.

    PubMed

    Granados Del Águila, Andrés; Groeneveld, Esther; Maan, Jan C; de Mello Donegá, Celso; Christianen, Peter C M

    2016-04-26

    Wave function engineering has become a powerful tool to tailor the optical properties of semiconductor colloidal nanocrystals. Core-shell systems allow to design the spatial extent of the electron (e) and hole (h) wave functions in the conduction- and valence bands, respectively. However, tuning the overlap between the e- and h-wave functions not only affects the oscillator strength of the coupled e-h pairs (excitons) that are responsible for the light emission, but also modifies the e-h exchange interaction, leading to an altered excitonic energy spectrum. Here, we present exciton lifetime measurements in a strong magnetic field to determine the strength of the e-h exchange interaction, independently of the e-h overlap that is deduced from lifetime measurements at room temperature. We use a set of CdTe/CdSe core/shell heteronanocrystals in which the electron-hole separation is systematically varied. We are able to unravel the separate effects of e-h overlap and e-h exchange on the exciton lifetimes, and we present a simple model that fully describes the recombination lifetimes of heteronanostructures (HNCs) as a function of core volume, shell volume, temperature, and magnetic fields. PMID:26982795

  2. Polytypism, polymorphism, and superconductivity in TaSe2–xTex

    SciTech Connect

    Luo, Huixia; Xie, Weiwei; Tao, Jing; Inoue, Hiroyuki; Gyenis, András; Krizan, Jason W.; Yazdani, Ali; Zhu, Yimei; Cava, Robert Joseph

    2015-03-03

    Polymorphism in materials often leads to significantly different physical properties - the rutile and anatase polymorphs of TiO₂ are a prime example. Polytypism is a special type of polymorphism, occurring in layered materials when the geometry of a repeating structural layer is maintained but the layer stacking sequence of the overall crystal structure can be varied; SiC is an example of a material with many polytypes. Although polymorphs can have radically different physical properties, it is much rarer for polytypism to impact physical properties in a dramatic fashion. Here we study the effects of polytypism and polymorphism on the superconductivity of TaSe₂, one of the archetypal members of the large family of layered dichalcogenides. We show that it is possible to access 2 stable polytypes and 2 stable polymorphs in the TaSe2-xTex solid solution, and find that the 3R polytype shows a superconducting transition temperature that is between 6 and 17 times higher than that of the much more commonly found 2H polytype. Thus, the reason for this dramatic change is not apparent, but we propose that it arises either from a remarkable dependence of Tc on subtle differences in the characteristics of the single layers present, or from a surprising effect of the layer stacking sequence on electronic properties that instead are expected to be dominated by the properties of a single layer in materials of this kind.

  3. Effect of Electron-Hole Overlap and Exchange Interaction on Exciton Radiative Lifetimes of CdTe/CdSe Heteronanocrystals.

    PubMed

    Granados Del Águila, Andrés; Groeneveld, Esther; Maan, Jan C; de Mello Donegá, Celso; Christianen, Peter C M

    2016-04-26

    Wave function engineering has become a powerful tool to tailor the optical properties of semiconductor colloidal nanocrystals. Core-shell systems allow to design the spatial extent of the electron (e) and hole (h) wave functions in the conduction- and valence bands, respectively. However, tuning the overlap between the e- and h-wave functions not only affects the oscillator strength of the coupled e-h pairs (excitons) that are responsible for the light emission, but also modifies the e-h exchange interaction, leading to an altered excitonic energy spectrum. Here, we present exciton lifetime measurements in a strong magnetic field to determine the strength of the e-h exchange interaction, independently of the e-h overlap that is deduced from lifetime measurements at room temperature. We use a set of CdTe/CdSe core/shell heteronanocrystals in which the electron-hole separation is systematically varied. We are able to unravel the separate effects of e-h overlap and e-h exchange on the exciton lifetimes, and we present a simple model that fully describes the recombination lifetimes of heteronanostructures (HNCs) as a function of core volume, shell volume, temperature, and magnetic fields.

  4. Effect of Sn doping on nonlinear optical properties of quaternary Se-Sn-(Bi,Te) chalcogenide thin films

    SciTech Connect

    Yadav, Preeti Sharma, Ambika

    2015-08-28

    The aim of this work is to report the effect of Sn doping on the third order nonlinear optical properties of chalcogenide Se{sub 84-x}Te{sub 15}Bi{sub 1.0}Sn{sub x} thin films. Melt quenching technique has been used for the preparation of bulk chalcogenide glasses. Thin films of the studied composition are deposited on cleaned glass substrate by thermal evaporation technique. Optical band gap (E{sub g}) is calculated by using Tauc extrapolation method and is found to increase from 1.27 eV to 1.64 eV with the incorporation of Sn content. Stryland approach is utilized for the calculation of two photon absorption coefficient (β{sub 2}). The nonlinear refractive index (n{sub 2}) and third order susceptibility (χ{sup (3}) are calculated using Tichy and Ticha approach. The result shows that nonlinear refractive index (n{sub 2}) follows the same trend as that of linear refractive index (n). The values of n{sub 2} of studied composition as compared to pure silica are 1000-5000 times higher.

  5. Anisotropic thermoelectric properties of layered compounds in SnX2 (X = S, Se): a promising thermoelectric material.

    PubMed

    Sun, Bao-Zhen; Ma, Zuju; He, Chao; Wu, Kechen

    2015-11-28

    Thermoelectrics interconvert heat to electricity and are of great interest in waste heat recovery, solid-state cooling and so on. Here we assessed the potential of SnS2 and SnSe2 as thermoelectric materials at the temperature gradient from 300 to 800 K. Reflecting the crystal structure, the transport coefficients are highly anisotropic between a and c directions, in particular for the electrical conductivity. The preferred direction for both materials is the a direction in TE application. Most strikingly, when 800 K is reached, SnS2 can show a peak power factor (PF) of 15.50 μW cm(-1) K(-2) along the a direction, while a relatively low value (11.72 μW cm(-1) K(-2)) is obtained in the same direction of SnSe2. These values are comparable to those observed in thermoelectrics such as SnSe and SnS. At 300 K, the minimum lattice thermal conductivity (κmin) along the a direction is estimated to be about 0.67 and 0.55 W m(-1) K(-1) for SnS2 and SnSe2, respectively, even lower than the measured lattice thermal conductivity of Bi2Te3 (1.28 W m(-1) K(-1) at 300 K). The reasonable PF and κmin suggest that both SnS2 and SnSe2 are potential thermoelectric materials. Indeed, the estimated peak ZT can approach 0.88 for SnSe2 and a higher value of 0.96 for SnS2 along the a direction at a carrier concentration of 1.94 × 10(19) (SnSe2) vs. 2.87 × 10(19) cm(-3) (SnS2). The best ZT values in SnX2 (X = S, Se) are comparable to that in Bi2Te3 (0.8), a typical thermoelectric material. We hope that this theoretical investigation will provide useful information for further experimental and theoretical studies on optimizing the thermoelectric properties of SnX2 materials.

  6. High Compositional Homogeneity of CdTexSe1-x Crystals Grown by the Bridgman Method

    SciTech Connect

    Roy, U. N.; Bolotnikov, A. E.; Camarda, G. S.; Cui, Y.; Hossain, A.; Lee, K.; Lee, W.; Tappero, R.; Yang, G.; Gul, R.; James, R. B.

    2015-02-03

    We obtained high-quality CdTexSe1-x (CdTeSe) crystals from ingots grown by the vertical Bridgman technique. The compositional uniformity of the ingots was evaluated by X-ray fluorescence at BNL’s National Synchrotron Light Source X27A beam line. The resulting compositional homogeneity was highly uniform throughout the ingot, and the effective segregation coefficient of Se was ~1.0. This uniformity offers potential opportunity to enhance the yield of the materials for both infrared substrate and radiation-detector applications, so greatly lowering the cost of production and also offering us the prospect to grow large-diameter ingots for use as large-area substrates and for producing higher efficiency gamma-ray detectors. The concentration of secondary phases was found to be much lower, by eight- to ten fold compared to that of conventional CdxZn1-xTe (CdZnTe or CZT).

  7. Multiband nodeless superconductivity near the charge-density-wave quantum critical point in ZrTe3‑x Se x

    NASA Astrophysics Data System (ADS)

    Shan, Cui; Lan-Po, He; Xiao-Chen, Hong; Xiang-De, Zhu; Cedomir, Petrovic; Shi-Yan, Li

    2016-07-01

    It was found that selenium doping can suppress the charge-density-wave (CDW) order and induce bulk superconductivity in ZrTe3. The observed superconducting dome suggests the existence of a CDW quantum critical point (QCP) in ZrTe3‑x Se x near x ≈ 0.04. To elucidate the superconducting state near the CDW QCP, we measure the thermal conductivity of two ZrTe3‑x Se x single crystals (x = 0.044 and 0.051) down to 80 mK. For both samples, the residual linear term κ 0/T at zero field is negligible, which is a clear evidence for nodeless superconducting gap. Furthermore, the field dependence of κ 0/T manifests a multigap behavior. These results demonstrate multiple nodeless superconducting gaps in ZrTe3‑x Se x , which indicates conventional superconductivity despite of the existence of a CDW QCP. Project supported by the National Basic Research Program of China (Grant Nos. 2012CB821402 and 2015CB921401), the National Natural Science Foundation of China (Grant Nos. 91421101, 11422429, and 11204312), the Program for Professor of Special Appointment (Eastern Scholar) at Shanghai Institutions of Higher Learning, China, and STCSM of China (Grant No. 15XD1500200). Work at Brookhaven National Laboratory was supported by the US DOE under Contract No. DESC00112704.

  8. High compositional homogeneity of CdTe{sub x}Se{sub 1−x} crystals grown by the Bridgman method

    SciTech Connect

    Roy, U. N.; Bolotnikov, A. E.; Camarda, G. S.; Cui, Y.; Hossain, A.; Tappero, R.; Yang, G.; Gul, R.; James, R. B.; Lee, K.; Lee, W.

    2015-02-01

    We obtained high-quality CdTe{sub x}Se{sub 1−x} (CdTeSe) crystals from ingots grown by the vertical Bridgman technique. The compositional uniformity of the ingots was evaluated by X-ray fluorescence at BNL’s National Synchrotron Light Source X27A beam line. The compositional homogeneity was highly uniform throughout the ingot, and the effective segregation coefficient of Se was ∼1.0. This high uniformity offers potential opportunity to enhance the yield of the materials for both infrared substrate and radiation-detector applications, so greatly lowering the cost of production and also offering us the prospect to grow large-diameter ingots for use as large-area substrates and for producing higher efficiency gamma-ray detectors. The concentration of secondary phases was found to be much lower, by eight- to ten fold compared to that of conventional Cd{sub x}Zn{sub 1−x}Te (CdZnTe or CZT)

  9. Solubilization of Waste Activated Sludge and Nitrogenous Compounds Transformation During Solubilization by Thermophilic Enzyme (S-TE) Process.

    PubMed

    Yang, Qi; Luo, Kun; Li, Xiao-ming; Zhong, Yu; Chen, Hong-bo; Yang, Guo-jing; Shi, Yan-wei; Zeng, Guang-ming

    2015-06-01

    A representative thermophilic bacterial strain (AT06-1) capable of secreting protease was isolated from thermophilic aerobic digestion reactor, and 16S rRNA gene analysis indicated that it was Bacillus sp. The isolated strain was inoculated in waste activated sludge (WAS) to evaluate the performance of solubilization by thermophilic enzyme (S-TE) process under aerobic or microaerobic conditions at different temperatures (55-70 °C). Results showed that the inoculation of specific thermophilic strain significantly affected the volatile suspended solids (VSS) removal. At the optimal temperature of 65 °C, the maximum VSS removal of 43.6 % and highest SCOD of 4475 mg/L was achieved during microaerobic S-TE process. Compared to the noninoculation, more soluble protein was released during S-TE process due to the higher protease activity associated with the protein hydrolysis originated from cell lysis. The protease activity at aerobic and microaerobic S-TE process was respectively 1.73 and 1.88 times that of the noninoculation. Ammonia was the end nitrogenous compound of protein hydrolysis during S-TE process, which was stripped from the digestion system through continuous aeration.

  10. Tuning the carrier concentration to improve the thermoelectric performance of CuInTe{sub 2} compound

    SciTech Connect

    Wei, J.; Liu, H. J. Cheng, L.; Zhang, J.; Liang, J. H.; Jiang, P. H.; Fan, D. D.; Shi, J.

    2015-10-15

    The electronic and transport properties of CuInTe{sub 2} chalcopyrite are investigated using density functional calculations combined with Boltzmann theory. The band gap predicted from hybrid functional is 0.92 eV, which agrees well with experimental data and leads to relatively larger Seebeck coefficient compared with those of narrow-gap thermoelectric materials. By fine tuning the carrier concentration, the electrical conductivity and power factor of the system can be significantly optimized. Together with the inherent low thermal conductivity, the ZT values of CuInTe{sub 2} compound can be enhanced to as high as 1.72 at 850 K, which is obviously larger than those measured experimentally and suggests there is still room to improve the thermoelectric performance of this chalcopyrite compound.

  11. Effect of Se treatment on glucosinolate metabolism and health-promoting compounds in the broccoli sprouts of three cultivars.

    PubMed

    Tian, Ming; Xu, Xiaoyun; Liu, Yanlong; Xie, Lin; Pan, Siyi

    2016-01-01

    Broccoli sprouts are natural functional foods for cancer prevention because of their high glucosinolate (GSL) content and high selenium (Se) accumulation capacity. The regulation mechanism of Se on GSL metabolism in broccoli sprouts was explored. In particular, the effects of Se treatment (100 μmol/L selenite and selenate) on the Se, sulfur (S), glucosinolate and sulforaphane contents; myrosinase activity and health-promoting compounds (ascorbic acid, anthocyanin, total phenolics and flavonoids) of three, 5 day old, cultivars were investigated. The treatment did not influence the total GSL and ascorbic acid contents; significantly increased the myrosinase activity and sulforaphane, anthocyanin and flavonoids contents; and decreased the total phenolics content. The increase in sulforaphane during early growth can be primarily attributed to the increased myrosinase activity caused by Se treatment. Broccoli sprouts with suitable selenite and selenate concentrations, in the early growth days, could be desirable for improved human health.

  12. Comparison of superconducting properties between FeSe0.5Te0.5/CeO2/SrTiO3 and FeSe0.5Te0.5/SrTiO3 thin films

    NASA Astrophysics Data System (ADS)

    Chen, S. H.; Han, Y. Y.; Liu, J. Z.; Wang, T.; Tian, M. L.; Wen, H. H.; Xing, Z. W.

    2016-09-01

    The electrical resistance behaviors under angle-dependent magnetic fields up to 16 T are investigated in superconducting FeSe0.5Te0.5 (FST) thin films grown on SrTiO3 (STO) substrates without or with a CeO2 buffer layer. It is found that the FST/CeO2/STO films have an enhanced superconducting transition temperature Tc and slightly increased superconducting anisotropy in comparison with the FST/STO films. The enhancement of Tc in the presence of the CeO2 buffer is closely related to the changes in both the out-of-plane lattice constant and Se-Fe-Se (Te-Fe-Te) bond angle.

  13. Newtype single-layer magnetic semiconductor in transition-metal dichalcogenides VX2 (X = S, Se and Te)

    PubMed Central

    Fuh, Huei-Ru; Chang, Ching-Ray; Wang, Yin-Kuo; Evans, Richard F. L.; Chantrell, Roy W.; Jeng, Horng-Tay

    2016-01-01

    We present a newtype 2-dimensional (2D) magnetic semiconductor based on transition-metal dichalcogenides VX2 (X = S, Se and Te) via first-principles calculations. The obtained indirect band gaps of monolayer VS2, VSe2, and VTe2 given from the generalized gradient approximation (GGA) are respectively 0.05, 0.22, and 0.20 eV, all with integer magnetic moments of 1.0 μB. The GGA plus on-site Coulomb interaction U (GGA + U) enhances the exchange splittings and raises the energy gap up to 0.38~0.65 eV. By adopting the GW approximation, we obtain converged G0W0 gaps of 1.3, 1.2, and 0.7 eV for VS2, VSe2, and VTe2 monolayers, respectively. They agree very well with our calculated HSE gaps of 1.1, 1.2, and 0.6 eV, respectively. The gap sizes as well as the metal-insulator transitions are tunable by applying the in-plane strain and/or changing the number of stacking layers. The Monte Carlo simulations illustrate very high Curie-temperatures of 292, 472, and 553 K for VS2, VSe2, and VTe2 monolayers, respectively. They are nearly or well beyond the room temperature. Combining the semiconducting energy gap, the 100% spin polarized valence and conduction bands, the room temperature TC, and the in-plane magnetic anisotropy together in a single layer VX2, this newtype 2D magnetic semiconductor shows great potential in future spintronics. PMID:27601195

  14. Newtype single-layer magnetic semiconductor in transition-metal dichalcogenides VX2 (X = S, Se and Te)

    NASA Astrophysics Data System (ADS)

    Fuh, Huei-Ru; Chang, Ching-Ray; Wang, Yin-Kuo; Evans, Richard F. L.; Chantrell, Roy W.; Jeng, Horng-Tay

    2016-09-01

    We present a newtype 2-dimensional (2D) magnetic semiconductor based on transition-metal dichalcogenides VX2 (X = S, Se and Te) via first-principles calculations. The obtained indirect band gaps of monolayer VS2, VSe2, and VTe2 given from the generalized gradient approximation (GGA) are respectively 0.05, 0.22, and 0.20 eV, all with integer magnetic moments of 1.0 μB. The GGA plus on-site Coulomb interaction U (GGA + U) enhances the exchange splittings and raises the energy gap up to 0.38~0.65 eV. By adopting the GW approximation, we obtain converged G0W0 gaps of 1.3, 1.2, and 0.7 eV for VS2, VSe2, and VTe2 monolayers, respectively. They agree very well with our calculated HSE gaps of 1.1, 1.2, and 0.6 eV, respectively. The gap sizes as well as the metal-insulator transitions are tunable by applying the in-plane strain and/or changing the number of stacking layers. The Monte Carlo simulations illustrate very high Curie-temperatures of 292, 472, and 553 K for VS2, VSe2, and VTe2 monolayers, respectively. They are nearly or well beyond the room temperature. Combining the semiconducting energy gap, the 100% spin polarized valence and conduction bands, the room temperature TC, and the in-plane magnetic anisotropy together in a single layer VX2, this newtype 2D magnetic semiconductor shows great potential in future spintronics.

  15. Effect of gamma doses on the optical parameters of Se76Te15Sb9 thin films

    NASA Astrophysics Data System (ADS)

    Abu El-Fadl, A.; Soltan, A. S.; Abu-Sehly, A. A.

    2007-07-01

    The effect of γ-radiation dose on the optical spectra and optical energy gap (Eopt.) of Se76Te15Sb9 thin films was studied. The dependence of the absorption coefficient (α) on the photon energy (hν) was determined as a function of radiation dose. The films show indirect allowed interband transition that is influenced by the radiation dose. Both the optical energy gap and the absorption coefficient were found to be dose dependent. The indirect optical energy gap was found to decrease from 1.257 to 0.664 eV with increasing the radiation dose from 10 to 250 krad, respectively. The results can be discussed on the basis of γ-irradiation-induced defects in the film. The width of the tail of localized states in the band gap (Ee) was evaluated using the Urbach edge method. The refractive index (n) was determined from the analysis of the transmittance and reflectance data. Analysis of the refractive index yields the values of high frequency dielectric constant (ɛ∞) and the carrier concentration (N/m*). The dependence of refractive index on the radiation dose has also been discussed. Other optical parameters such as real and imaginary parts of the dielectric constant (ɛ1, ɛ2) and the extinction coefficient (k) have been evaluated. It was found that the spectral absorption coefficient is expected to a suitable control parameter of γ-irradiation-sensitive elements of dosimetric systems for high energy ionizing radiation (0.06 1.33 MeV).

  16. Newtype single-layer magnetic semiconductor in transition-metal dichalcogenides VX2 (X = S, Se and Te).

    PubMed

    Fuh, Huei-Ru; Chang, Ching-Ray; Wang, Yin-Kuo; Evans, Richard F L; Chantrell, Roy W; Jeng, Horng-Tay

    2016-01-01

    We present a newtype 2-dimensional (2D) magnetic semiconductor based on transition-metal dichalcogenides VX2 (X = S, Se and Te) via first-principles calculations. The obtained indirect band gaps of monolayer VS2, VSe2, and VTe2 given from the generalized gradient approximation (GGA) are respectively 0.05, 0.22, and 0.20 eV, all with integer magnetic moments of 1.0 μB. The GGA plus on-site Coulomb interaction U (GGA + U) enhances the exchange splittings and raises the energy gap up to 0.38~0.65 eV. By adopting the GW approximation, we obtain converged G0W0 gaps of 1.3, 1.2, and 0.7 eV for VS2, VSe2, and VTe2 monolayers, respectively. They agree very well with our calculated HSE gaps of 1.1, 1.2, and 0.6 eV, respectively. The gap sizes as well as the metal-insulator transitions are tunable by applying the in-plane strain and/or changing the number of stacking layers. The Monte Carlo simulations illustrate very high Curie-temperatures of 292, 472, and 553 K for VS2, VSe2, and VTe2 monolayers, respectively. They are nearly or well beyond the room temperature. Combining the semiconducting energy gap, the 100% spin polarized valence and conduction bands, the room temperature TC, and the in-plane magnetic anisotropy together in a single layer VX2, this newtype 2D magnetic semiconductor shows great potential in future spintronics. PMID:27601195

  17. Polarization Control of Morphological Pattern Orientation During Light-Mediated Synthesis of Nanostructured Se-Te Films.

    PubMed

    Carim, Azhar I; Batara, Nicolas A; Premkumar, Anjali; Atwater, Harry A; Lewis, Nathan S

    2016-01-26

    The template-free growth of well ordered, highly anisotropic lamellar structures has been demonstrated during the photoelectrodeposition of Se-Te films, wherein the orientation of the pattern can be directed by orienting the linear polarization of the incident light. This control mechanism was investigated further herein by examining the morphologies of films grown photoelectrochemically using light from two simultaneous sources that had mutually different linear polarizations. Photoelectrochemical growth with light from two nonorthogonally polarized same-wavelength sources generated lamellar morphologies in which the long axes of the lamellae were oriented parallel to the intensity-weighted average polarization orientation. Simulations of light scattering at the solution-film interface were consistent with this observation. Computer modeling of these growths using combined full-wave electromagnetic and Monte Carlo growth simulations successfully reproduced the experimental morphologies and quantitatively agreed with the pattern orientations observed experimentally by considering only the fundamental light-material interactions during growth. Deposition with light from two orthogonally polarized same-wavelength as well as different-wavelength sources produced structures that consisted of two intersecting sets of orthogonally oriented lamellae in which the relative heights of the two sets could be varied by adjusting the relative source intensities. Simulations of light absorption were performed in analogous, idealized intersecting lamellar structures and revealed that the lamellae preferentially absorbed light polarized with the electric field vector along their long axes. These data sets cumulatively indicate that anisotropic light scattering and light absorption generated by the light polarization produces the anisotropic morphology and that the resultant morphology is a function of all illumination inputs despite differing polarizations. PMID:26592096

  18. CdS enhances Voc and fill factor in CdS/CdTe and CdS/CuInSe2 solar cells

    NASA Astrophysics Data System (ADS)

    Böer, Karl W.

    2010-01-01

    A cover layer of CdS enhances the efficiency of CdTe and CuInSe2 based solar cells. The experimental results are summarized, giving the reasons why a CdS layer causes Voc and the fill factor to increase. Field quenching by Frenkel-Poole excitation in copper doped CdS leads to a negative differential conductivity and a high-field domain with a field of 50 kV/cm, limiting the maximum field in the CdS/CdTe junction. This prevents tunneling through the junction and reducing electron leakage. Other evidence indicates an adjustment of the electron affinity, hence in a shift of the band connection at different bias conditions. A band model of the CdS/CdTe cell is proposed.

  19. Thermoelectric properties of topological insulator Bi{sub 2}Te{sub 3}, Sb{sub 2}Te{sub 3}, and Bi{sub 2}Se{sub 3} thin film quantum wells

    SciTech Connect

    Osterhage, Hermann Gooth, Johannes; Hamdou, Bacel; Gwozdz, Paul; Zierold, Robert; Nielsch, Kornelius

    2014-09-22

    The thermoelectric (TE) figure of merit ZT of topological insulator Bi{sub 2}Te{sub 3}, Sb{sub 2}Te{sub 3}, and Bi{sub 2}Se{sub 3} thin film quantum wells is calculated for thicknesses below 10 nm, for which hybridization of the surface states as well as quantum confinement in the bulk are individually predicted to enhance ZT. Here, the question is addressed what ZT can be expected from coexisting surface and bulk states in such quantum wells. It is demonstrated that the parallel contributing bulk and surface channels tend to cancel each other out. This is because the surface-to-volume ratios of the thin films prevent the domination of transport through a single channel and because the individual bulk and surface ZTs are optimized at different Fermi levels.

  20. Development of a computer model for polycrystalline thin-film CuInSe{sub 2} and CdTe solar cells; Annual subcontract report, 1 March 1992--28 February 1993

    SciTech Connect

    Gray, J.L.; Schwartz, R.J.; Lee, Y.J.

    1994-03-01

    Solar cells operate by converting the radiation power from sun light into electrical power through photon absorption by semiconductor materials. The elemental and compound material systems widely used in photovoltaic applications can be produced in a variety of crystalline and non-crystalline forms. Although the crystalline group of materials have exhibited high conversion efficiencies, their production cost are substantially high. Several candidates in the poly- and micro-crystalline family of materials have recently gained much attention due to their potential for low cost manufacturability, stability, reliability and good performance. Among those materials, CuInSe{sub 2} and CdTe are considered to be the best choices for production of thin film solar cells because of the good optical properties and almost ideal band gap energies. Considerable progress was made with respect to cell performance and low cost manufacturing processes. Recently conversion efficiencies of 14.1 and 14.6% have been reported for CuInSe{sub 2} and CdTe based solar cells respectively. Even though the efficiencies of these cells continue to improve, they are not fully understood materials and there lies an uncertainty in their electrical properties and possible attainable performances. The best way to understand the details of current transport mechanisms and recombinations is to model the solar cells numerically. By numerical modeling, the processes which limit the cell performance can be sought and therefore, the most desirable designs for solar cells utilizing these materials as absorbers can be predicted. The problems with numerically modeling CuInSe{sub 2} and CdTe solar cells are that reported values of the pertinent material parameters vary over a wide range, and some quantities such as carrier concentration are not explicitly controlled.

  1. Towards a predictive route for selection of doping elements for the thermoelectric compound PbTe from first-principles

    SciTech Connect

    Joseph, Elad; Amouyal, Yaron

    2015-05-07

    Striving for improvements of the thermoelectric (TE) properties of the technologically important lead telluride (PbTe) compound, we investigate the influence of different doping elements on the thermal conductivity, Seebeck coefficient, and electrical conductivity applying density functional theory calculations. Our approach combines total-energy calculations yielding lattice vibrational properties with the Boltzmann transport theory to obtain electronic transport properties. We find that doping with elements from the 1st and 3rd columns of the periodic table reduces the sound velocity and, consequently, the lattice thermal conductivity, while 2nd column dopants have no such influence. Furthermore, 1.6 at. % doping with 4th and 5th column elements provides the highest reduction of lattice thermal conductivity. Out of this group, Hf doping results in maximum reduction of the sound velocity from 2030 m s{sup −1} for pure PbTe to 1370 m s{sup −1}, which is equivalent to ca. 32% reduction of lattice thermal conductivity. The highest power factor values calculated for 1.6 at. % doping range between 40 and 56 μW cm{sup −1} K{sup −2}, and are obtained for substitution with dopants having the same valence as Pb or Te, such as those located at the 2nd, 14th, and 16th columns of the periodic table. We demonstrate how this method may be generalized for dopant-selection-oriented materials design aimed at improving TE performance of other compounds.

  2. Observation of selective surface element substitution in FeTe0.5Se0.5 superconductor thin film exposed to ambient air by synchrotron radiation spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhang, Nian; Liu, Chen; Zhao, Jia-Li; Lei, Tao; Wang, Jia-Ou; Qian, Hai-Jie; Wu, Rui; Yan, Lei; Guo, Hai-Zhong; Ibrahim, Kurash

    2016-09-01

    A systematic investigation of oxidation on a superconductive FeTe0.5Se0.5 thin film, which was grown on Nb-doped SrTiO3 (001) by pulsed laser deposition, has been carried out. The sample was exposed to ambient air for one month for oxidation. Macroscopically, the exposed specimen lost its superconductivity due to oxidation. The specimen was subjected to in situ synchrotron radiation photoelectron spectroscopy (PES) and x-ray absorption spectroscopy (XAS) measurements following cycles of annealing and argon ion etching treatments to unravel what happened in the electronic structure and composition after exposure to air. By the spectroscopic measurements, we found that the as-grown FeTe0.5Se0.5 superconductive thin film experienced an element selective substitution reaction. The oxidation preferentially proceeds through pumping out the Te and forming Fe–O bonds by O substitution of Te. In addition, our results certify that in situ vacuum annealing and low-energy argon ion etching methods combined with spectroscopy are suitable for depth element and valence analysis of layered structure superconductor materials. Project supported by the Chinese Academy of Sciences (Grant No. 1G2009312311750101) and the National Natural Science Foundation of China (Grant Nos. 11375228, 11204303, and U1332105).

  3. Observation of selective surface element substitution in FeTe0.5Se0.5 superconductor thin film exposed to ambient air by synchrotron radiation spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhang, Nian; Liu, Chen; Zhao, Jia-Li; Lei, Tao; Wang, Jia-Ou; Qian, Hai-Jie; Wu, Rui; Yan, Lei; Guo, Hai-Zhong; Ibrahim, Kurash

    2016-09-01

    A systematic investigation of oxidation on a superconductive FeTe0.5Se0.5 thin film, which was grown on Nb-doped SrTiO3 (001) by pulsed laser deposition, has been carried out. The sample was exposed to ambient air for one month for oxidation. Macroscopically, the exposed specimen lost its superconductivity due to oxidation. The specimen was subjected to in situ synchrotron radiation photoelectron spectroscopy (PES) and x-ray absorption spectroscopy (XAS) measurements following cycles of annealing and argon ion etching treatments to unravel what happened in the electronic structure and composition after exposure to air. By the spectroscopic measurements, we found that the as-grown FeTe0.5Se0.5 superconductive thin film experienced an element selective substitution reaction. The oxidation preferentially proceeds through pumping out the Te and forming Fe-O bonds by O substitution of Te. In addition, our results certify that in situ vacuum annealing and low-energy argon ion etching methods combined with spectroscopy are suitable for depth element and valence analysis of layered structure superconductor materials. Project supported by the Chinese Academy of Sciences (Grant No. 1G2009312311750101) and the National Natural Science Foundation of China (Grant Nos. 11375228, 11204303, and U1332105).

  4. The influence of capping thioalkyl acid on the growth and photoluminescence efficiency of CdTe and CdSe quantum dots.

    PubMed

    Aldeek, Fadi; Balan, Lavinia; Lambert, Jacques; Schneider, Raphaël

    2008-11-26

    The influence of thioalkyl acid ligand was evaluated during aqueous synthesis at 100 °C and under hydrothermal conditions (150 °C) of CdTe and CdSe quantum dots (QDs). Experiments performed with 3-mercaptopropionic acid (MPA), 6-mercaptohexanoic acid (MHA) and 11-mercaptoundecanoic acid (MUA) demonstrated that the use of MHA and MUA allowed for the preparation of very small nanoparticles (0.6-2.5 nm) in carrying out the reaction under atmospheric pressure or in an autoclave and that the photophysical properties of QDs were dependent on the ligand and on the synthesis conditions. The influence of various experimental conditions, including the Te-to-Cd ratio, temperature, and precursor concentration, on the growth rate of CdTe or CdSe QDs has been systematically investigated. The fluorescence intensities of CdTe QDs capped with MPA, MHA, or MUA versus pH were also found to be related to the surface coverage of the nanoparticles. PMID:21836270

  5. Development of a computer model for polycrystalline thin-film CuInSe sub 2 and CdTe solar cells

    SciTech Connect

    Gray, J.L.; Schwartz, R.J.; Lee, Y.J. )

    1992-09-01

    This report describes work to develop an accurate numerical model for CuInSe{sub 2} (CIS) and CdTe-based solar cells capable of running on a personal computer. Such a model will aid researchers in designing and analyzing CIS- and CdTe-based solar cells. ADEPT (A Device Emulation Pregrain and Tool) was used as the basis for this model. An additional objective of this research was to use the models developed to analyze the performance of existing and proposed CIS- and CdTe-based solar cells. The development of accurate numerical models for CIS- and CdTe-based solar cells required the compilation of cell performance data (for use in model verification) and the compilation of measurements of material parameters. The development of the numerical models involved implementing the various physical models appropriate to CIS and CdTe, as well as some common window. A version of the model capable of running on an IBM-comparable personal computer was developed (primary code development is on a SUN workstation). A user-friendly interface with pop-up menus is continuing to be developed for release with the IBM-compatible model.

  6. Determination of the embedded thermo-optical expansion coefficients of PbTe and ZnSe thin film infrared multilayers.

    PubMed

    Hawkins, Gary J; Stolberg-Rohr, Thomine

    2015-06-15

    This paper reports the first derived thermo-optical properties for vacuum deposited infrared thin films embedded in multilayers. These properties were extracted from the temperature-dependence of manufactured narrow bandpass filters across the 4-17 µm mid-infrared wavelength region. Using a repository of spaceflight multi-cavity bandpass filters, the thermo-optical expansion coefficients of PbTe and ZnSe were determined across an elevated temperature range 20-160 °C. Embedded ZnSe films showed thermo-optical properties similar to reported bulk values, whilst the embedded PbTe films of lower optical density, deviate from reference literature sources. Detailed knowledge of derived coefficients is essential to the multilayer design of temperature-invariant narrow bandpass filters for use in non-cooled infrared detection systems. We further present manufacture of the first reported temperature-invariant multi-cavity narrow bandpass filter utilizing PbS chalcogenide layer material.

  7. Electronic structure evolution of single bilayer Bi(1 1 1) film on 3D topological insulator Bi2Se x Te3-x surfaces

    NASA Astrophysics Data System (ADS)

    Lei, Tao; Jin, Kyung-Hwan; Zhang, Nian; Zhao, Jia-Li; Liu, Chen; Li, Wen-Jie; Wang, Jia-Ou; Wu, Rui; Qian, Hai-Jie; Liu, Feng; Ibrahim, Kurash

    2016-06-01

    The electronic state evolution of single bilayer (1BL) Bi(1 1 1) deposited on three-dimensional (3D) Bi2Se x Te3-x topological insulators at x  =  0, 1.26, 2, 2.46, 3 is systematically investigated by angle-resolved photoemission spectroscopy (ARPES). Our results indicate that the electronic structures of epitaxial Bi films are strongly influenced by the substrate especially the topmost sublayer near the Bi films, manifesting in two main aspects. First, the Se atoms cause a stronger charge transfer effect, which induces a giant Rashba-spin splitting, while the low electronegativity of Te atoms induces a strong hybridization at the interface. Second, the lattice strain notably modifies the band dispersion of the surface bands. Furthermore, our experimental results are elucidated by first-principles band structure calculations.

  8. Quantum phase transition in Fe1 +x(Te,Se) induced by Single-atomic Impurities studied by STM/S

    NASA Astrophysics Data System (ADS)

    Yin, J. X.; Wu, Zheng; Huang, Xiong; Ye, Z. Y.; Wu, Rui; Liang, X. J.; Mao, H. Q.; Li, Jian; Ting, C.-S.; Hu, J. P.; Wang, Z. Q.; Hor, P.-H.; Ding, Hong; Pan, S. H.

    Previously we discovered a robust zero-energy bound state at an interstitial Fe impurity (IFIs) in Fe1 +x(Te,Se), which resembles the Majorana mode (Nature Physics 11, 543, (2015)). Here we report our comprehensive study, using scanning tunneling microscopy/spectroscopy technique, of the global effect of IFIs on the ground state of Fe1 +x(Te,Se) over a wide range of IFI concentration x. Our high resolution tunneling spectroscopy and quasi-particle interference data at very low temperature demonstrate that IFIs do not affect the electron pairing strength, while they cause significant dephasing effect, which eventually drives the ground state of the system from strong-coupling-superconductivity to diffusive-Bose-metal.

  9. Two-dimensional topological insulators in group-11 chalcogenide compounds: M2Te (M =Cu ,Ag )

    NASA Astrophysics Data System (ADS)

    Ma, Yandong; Kou, Liangzhi; Dai, Ying; Heine, Thomas

    2016-06-01

    Two-dimensional (2D) topological insulators (TIs) are recently recognized states of quantum matter that are highly interesting for lower-power-consuming electronic devices owing to their nondissipative transport properties protected from backscattering. So far, only few 2D TIs, suffering from small bulk band gap (<10 meV ), have been experimentally confirmed. Here, through first-principles calculations, we propose a family of 2D TIs in group-11 chalcogenide 2D crystals, M2Te (M =Cu ,Ag ) . The nontrivial topological states in C u2Te and A g2Te 2D crystals, identified by topological invariant and edge state calculations, exhibit sizeable bulk gaps of 78 and 150 meV, respectively, suggesting that they are candidates for room-temperature applications. Moreover, strain engineering leads to effective control of the nontrivial gaps of C u2Te and A g2Te , and a topological phase transition can be realized in C u2Te , while the nontrivial phase in A g2Te is stable against strain. Their dynamic and thermal stabilities are further confirmed by employing phonon calculations and ab initio molecular dynamic simulations.

  10. Synthesis, crystal structure and high-temperature transport properties of the new cluster compound Rb2Mo15Se19

    NASA Astrophysics Data System (ADS)

    Daigre, Gilles; Gougeon, Patrick; Gall, Philippe; Gautier, Régis; Guillou, Olivier; Vaney, Jean-Baptiste; Candolfi, Christophe; Dauscher, Anne; Lenoir, Bertrand

    2016-05-01

    We report on the synthesis, crystal structure and high-temperature transport properties of Rb2Mo15Se19, a new member of the large family of M2Mo15Se19 (M=In, Tl, K, Ba) cluster compounds. Polycrystalline samples and single crystals of the ternary selenide Rb2Mo15Se19 were obtained by solid-state reactions. The trigonal crystal structure, successfully refined in space group R 3 bar c (No. 167) with unit-cell parameters a=9.7618(1) Å, c=58.254(1) Å and Z=6, was determined by single-crystal X-ray diffraction. The crystal structure contains Mo6 Se8i Se6a and Mo9Se11iSe6a cluster units in equal proportion and separated from each other by large voids, which are filled up by Rb atoms. Measurements of the electrical resistivity, thermopower and thermal conductivity revealed that Rb2Mo15Se19 behaves as a p-type metal with relatively low electrical resistivity and thermopower. Despite its complex crystal structure, the lattice thermal conductivity that amounts to 1.3 W m-1 K-1 at 300 K is significantly higher than in Ag-filled analogues, which provides possible guidelines to enhance its thermoelectric properties.

  11. Use of (77)Se and (125)Te NMR Spectroscopy to Probe Covalency of the Actinide-Chalcogen Bonding in [Th(En){N(SiMe3)2}3](-) (E = Se, Te; n = 1, 2) and Their Oxo-Uranium(VI) Congeners.

    PubMed

    Smiles, Danil E; Wu, Guang; Hrobárik, Peter; Hayton, Trevor W

    2016-01-27

    Reaction of [Th(I)(NR2)3] (R = SiMe3) (1) with 1 equiv of either [K(18-crown-6)]2[Se4] or [K(18-crown-6)]2[Te2] affords the thorium dichalcogenides, [K(18-crown-6)][Th(η(2)-E2)(NR2)3] (E = Se, 2; E = Te, 3), respectively. Removal of one chalcogen atom via reaction with Et3P, or Et3P and Hg, affords the monoselenide and monotelluride complexes of thorium, [K(18-crown-6)][Th(E)(NR2)3] (E = Se, 4; E = Te, 5), respectively. Both 4 and 5 were characterized by X-ray crystallography and were found to feature the shortest known Th-Se and Th-Te bond distances. The electronic structure and nature of the actinide-chalcogen bonds were investigated with (77)Se and (125)Te NMR spectroscopy accompanied by detailed quantum-chemical analysis. We also recorded the (77)Se NMR shift for a U(VI) oxo-selenido complex, [U(O)(Se)(NR2)3](-) (δ((77)Se) = 4905 ppm), which features the highest frequency (77)Se NMR shift yet reported, and expands the known (77)Se chemical shift range for diamagnetic substances from ∼3300 ppm to almost 6000 ppm. Both (77)Se and (125)Te NMR chemical shifts of given chalcogenide ligands were identified as quantitative measures of the An-E bond covalency within an isoelectronic series and supported significant 5f-orbital participation in actinide-ligand bonding for uranium(VI) complexes in contrast to those involving thorium(IV). Moreover, X-ray diffraction studies together with NMR spectroscopic data and density functional theory (DFT) calculations provide convincing evidence for the actinide-chalcogen multiple bonding in the title complexes. Larger An-E covalency is observed in the [U(O)(E)(NR2)3](-) series, which decreases as the chalcogen atom becomes heavier. PMID:26667146

  12. Optical spectroscopy studies on FeTe1-xSex and AxFe2-ySe2 (A = K, Rb, Cs): A brief overview

    NASA Astrophysics Data System (ADS)

    Yuan, Rui-Hua; Wang, Nan-Lin

    2013-08-01

    In this short overview, we summarize the optical spectroscopy studies on iron selenide superconducting systems FeTe1-xSex and A-xFe2-ySe2. We elaborate that optical spectroscopy measurements yield fruitful information about the band structure evolution across the AFM phase transition temperature, the electronic correlation effect, the superconducting pairing energy gap, the condensed carrier density or penetration depth, the inhomogeneity and the nanoscale phase separation between superconductivity and antiferromagnetism in those systems.

  13. Solar-energy conversion by combined photovoltaic converters with CdTe and CuInSe{sub 2} base layers

    SciTech Connect

    Khrypunov, G. S. Sokol, E. I.; Yakimenko, Yu. I.; Meriuts, A. V.; Ivashuk, A. V.; Shelest, T. N.

    2014-12-15

    The possibility of the combined use of bifacial thin-film solar cells based on CdTe and frontal solar cells with a CuInSe{sub 2} base layer in tandem structures is experimentally confirmed. It is found that, for the use of bifacial solar cells based on cadmium telluride in a tandem structure, the optimal thickness of their base layer should be 1 μm. The gain in the efficiency of the tandem structure, compared with an individual CuInSe{sub 2}-based solar cell, is 1.8% in the case of series-connected solar cells and 1.3%, for parallel-connected.

  14. Pressure evolution of the potential barriers of phase transition of MoS2, MoSe2 and MoTe2.

    PubMed

    Fan, Xaiofeng; Singh, David J; Jiang, Q; Zheng, W T

    2016-04-28

    Two-dimensional crystals with weak layer interactions, such as twisted graphene, have been a focus of research recently. As a representative example, transitional metal dichalcogenides show a lot of fascinating properties due to stacking orders and spin-orbit coupling. We analyzed the dynamic energy barrier of possible phase transitions in MoX2 (X = S, Se and Te) with first-principles methods. In the structural transition from 2Hc to 2Ha, the energy barrier is found to be increased following an increase of pressure which is different from the phase transition in usual semiconductors. Among MoS2, MoSe2 and MoTe2, the energy barrier of MoS2 is the lowest and the stability of both 2Hc and 2Ha is reversed under pressure for MoS2. It is found that the absence of a phase transition in MoSe2 and MoTe2 is due to the competition between van der Waals interaction of layers and the coulomb interaction of Mo and X in nearest-neighbor layer of Mo in both phases. PMID:27074155

  15. Influence of Se on the electron mobility in extruded Bi2(Te1- xSex)3 (xless-than-or-equal0.125) thermoelectric alloys

    NASA Astrophysics Data System (ADS)

    Vasilevskiy, D.; Sami, A.; Simard, J.-M.; Masut, R.

    2002-09-01

    We present the electrical transport properties of thermoelectric n-type Bi2(Te1-xSex)3 (xless-than-or-equal0.125) polycrystalline alloys obtained by mechanical alloying and extrusion. It was determined that the charge carrier mobility decreases in the temperature range 90-300 K as the content (x) of Bi2Se3 is increased. The observed decrease is larger than what could be predicted by the introduction of an alloy scattering mechanism due to the electronegativity difference between Se and Te atoms. It can be explained by the introduction of additional defects induced by the Se incorporation, whose concentration is reduced by thermal annealing following extrusion. In the extrinsic regime, the observed temperature dependence of the mobility [mu]=[mu]0(T/T0)r of as extruded alloys apparently indicates that charge carrier scattering is mostly limited by acoustic phonons (temperature coefficient r near -1.5). Annealing after extrusion changes the temperature coefficient to values near -1.7 which is closer to what has been reported for pure crystalline Bi2Te3.

  16. Structural and optical properties of In doped Se-Te phase-change thin films: A material for optical data storage

    NASA Astrophysics Data System (ADS)

    Pathak, H. P.; Shukla, Nitesh; Kumar, Vipin; Dwivedi, D. K.

    2016-02-01

    Se75-xTe25Inx (x = 0, 3, 6, & 9) bulk glasses were obtained by melt quench technique. Thin films of thickness 400 nm were prepared by thermal evaporation technique at a base pressure of 10-6 Torr onto well cleaned glass substrate. a-Se75-xTe25Inx thin films were annealed at different temperatures for 2 h. As prepared and annealed films were characterized by X-ray diffraction and UV-Vis spectroscopy. The X-ray diffraction results show that the as-prepared films are of amorphous nature while it shows some poly-crystalline structure in amorphous phases after annealing. The optical absorption spectra of these films were measured in the wavelength range 400-1100 nm in order to derive the extinction and absorption coefficient of these films. It was found that the mechanism of optical absorption follows the rule of allowed non-direct transition. The optical band gap of as prepared and annealed films as a function of photon energy has been studied. The optical band gap is found to decrease with increase in annealing temperature in the present glassy system. It happens due to crystallization of amorphous films. The decrease in optical band gap due to annealing is an interesting behavior for a material to be used in optical storage. The optical band gap has been observed to decrease with the increase of In content in Se-Te glassy system.

  17. Plasmon-Coupled CdSe/ZnS and CdTe/CdS/ZnS Coreshells for Hybrid Light Emitting Devices.

    PubMed

    Rice, Quinton; Hayes, Anderson; Jung, Sungsoo; Wang, Andrew; Cho, Hyoyoung; Kim, Wan-Joong; Abdel-Fattah, Mahmoud; Tabibi, Bagher; Seo, Jaetae

    2016-02-01

    Plasmon-coupled CdSe/ZnS and CdTe/CdS/ZnS coreshells are investigated for their optoelectronic applications because of their high color purity, wide optical tunability, large PL enhancement, and compact and easy integration into electronic devices. The quantum confinement of carriers within quantum dots (QDs) with sizes near the exciton Bohr radius (CdSe ~ 5.8 nm, CdTe ~ 7 nm) exhibits the features of discrete energy states and blue-shift from the bulk bandgap (CdSe ~718 nm, CdTe ~ 863 nm) in the optical spectrum. While the fluorescence from the QDs is attributable to the exciton carrier recombination, large PL enhancement and fast emission time is achieved through plasmon-exciton coupling via the Coulomb interaction. Large PL enhancement of QDs in the vicinity of plasmonic particles was observed and attributed to the reduction of the non-radiative decay rate and large local field enhancement. The large PL enhancement and wide optical tunability along with high color purity from plasmon-coupled QDs enables the realization of hybrid LEDs. PMID:27433706

  18. Electrochemiluminescence energy transfer-promoted ultrasensitive immunoassay using near-infrared-emitting CdSeTe/CdS/ZnS quantum dots and gold nanorods

    PubMed Central

    Li, Lingling; Chen, Ying; Lu, Qian; Ji, Jing; Shen, Yuanyuan; Xu, Mi; Fei, Rong; Yang, Guohai; Zhang, Kui; Zhang, Jian-Rong; Zhu, Jun-Jie

    2013-01-01

    The marriage of energy transfer with electrochemiluminescence has produced a new technology named electrochemiluminescence energy transfer (ECL-ET), which can realize effective and sensitive detection of biomolecules. To obtain optimal ECL-ET efficiency, perfect energy overlapped donor/acceptor pair is of great importance. Herein, we present a sensitive ECL-ET based immunosensor for the detection of tumor markers, using energy tunable CdSeTe/CdS/ZnS double shell quantum dots (QDs) and gold nanorods (GNRs) as the donor and acceptor, respectively. Firstly a facile microwave-assisted strategy for the synthesis of green- to near-infrared-emitting CdSeTe/CdS/ZnS QDs with time- and component-tunable photoluminescence was proposed. And, on the basis of the adjustable optical properties of both CdSeTe/CdS/ZnS QDs and GNRs, excellent overlap between donor emission and acceptor absorption can be obtained to ensure effective ECL-ET quenching, thus improving the sensing sensitivity. This method represents a novel approach for versatile detection of biomolecules at low concentrations. PMID:23524874

  19. Ab-initio study of structural and electronic properties of thin film and bulk forms of Bi2Q3 (Q = Se, Te) as topological insulators

    NASA Astrophysics Data System (ADS)

    Ranjbardizaj, Ahmad; Mizuseki, Hiroshi; Kawazoe, Yoshiyuki

    2013-03-01

    Bi2Q3 (Q =Se, Te) are the best-known bulk thermoelectric materials, which have been demonstrated to be topological insulators (TI). TI's are insulators with conductive surface states consisting of a single Dirac cones. These materials have layered structures consisting of stacked quintuple layers (QL), with relatively weak coupling between the QL's. Therefore, it might be easy to prepare the Bi2Q3 in the form of thin films with particular thicknesses using the available experimental techniques. In this study, the electronic and structural properties of bulk Bi2Se3 are investigated using density functional theory. Our results show that the Bi2Se3 is an indirect semiconductor with energy gap of ~ 0.27 eV. Additionally, the electronic structure dependence of Bi2Se3to the thicknesses of thin films (n-QL's with n =1,2...9) is considered. It is observed that the electronic structure of this kind of thin films depends on the number of QL's. For n-QL's with n larger than three, the thin film has a bulk band gap and has protected conducting states on its surface. Moreover, the effect of number of layers (n) on band-gap energy is studied. Similar calculations and discussions are carried out for Bi2Te3 and the results are compared to the Bi2Se3 case and also the available theoretical and experimental results.

  20. Crystal Growth of ZnSe and Related Ternary Compound Semiconductors by Vapor Transport

    NASA Technical Reports Server (NTRS)

    Su, Ching-Hua; Brebrick, Robert F.; Burger, Arnold; Dudley, Michael; Matyi, Richard J.; Ramachandran, Narayanan; Sha, Yi-Gao; Volz, Martin; Shih, Hung-Dah

    2000-01-01

    Interest in optical devices which can operate in the visible spectrum has motivated research interest in the II-VI wide band gap semiconductor materials. The recent challenge for semiconductor opto-electronics is the development of a laser which can operate at short visible wavelengths. In the past several years, major advances in thin film technology such as molecular beam epitaxy and metal organic chemical vapor deposition have demonstrated the applicability of II-VI materials to important devices such as light-emitting diodes, lasers, and ultraviolet detectors. With an energy gap of 2.7 eV at room temperature, and an efficient band- to-band transition, ZnSe has been studied extensively as the primary candidate for a blue light emitting diode for optical displays, high density recording, and military communications. By employing a ternary or quaternary system, the energy band gap of II-VI materials can be tuned to a specific range. While issues related to the compositional inhomogeneity and defect incorporation are still to be fully resolved, ZnSe bulk crystals and ZnSe-based heterostructures such as ZnSe/ZnSeS, ZnSe/ZnCdSe and ZnCdSe/ZnSeS have showed photopumped lasing capability in the blue-green region at a low threshold power and high temperatures. The demonstration of its optical bistable properties in bulk and thin film forms also make ZnSe a possible candidate material for the building blocks of a digital optical computer. Despite this, developments in the crystal growth of bulk H-VI semiconductor materials has not advanced far enough to provide the low price, high quality substrates needed for the thin film growth technology.

  1. New family of Dirac and Weyl semimetals in XAuTe (X = Na, K, Rb) ternary honeycomb compounds

    NASA Astrophysics Data System (ADS)

    Sun, Hao; Zhao, Jin

    2016-10-01

    We propose a new family of 3D Dirac semimetals based on XAuTe (X = K, Na, Rb) ternary honeycomb compounds, determined based on first-principles calculations, which are shown to be topological Dirac semimetals in which the Dirac points are induced by band inversion. Dirac points with four-fold degeneracy that are protected by C3 rotation symmetry and located on the Γ-A high-symmetry path are found. Through spatial-inversion symmetry breaking, a K(Au0.5 Hg0.5)(Te0.5As0.5) superlattice structure composed of KHgAs and KAuTe compounds is proven to be a Weyl semimetal with type-II Weyl points, which connect electronand hole-like bands. In this superlattice structure, the six pairs of Weyl nodes are distributed along the K- Γ high-symmetry path on the k z = 0 plane. Our research expands the family of topological Dirac and type-II Weyl semimetals.

  2. Enhanced thermoelectric performance in Cd doped CuInTe{sub 2} compounds

    SciTech Connect

    Cheng, N.; Liu, R.; Bai, S.; Shi, X. Chen, L.

    2014-04-28

    CuIn{sub 1−x}Cd{sub x}Te{sub 2} materials (x = 0, 0.02, 0.05, and 0.1) are prepared using melting-annealing method and the highly densified bulk samples are obtained through Spark Plasma Sintering. The X-ray diffraction data confirm that nearly pure chalcopyrite structures are obtained in all the samples. Due to the substitution of Cd at In sites, the carrier concentration is greatly increased, leading to much enhanced electrical conductivity and power factor. The single parabolic band model is used to describe the electrical transport properties of CuInTe{sub 2} and the low temperature Hall mobility is also modeled. By combing theoretical model and experiment data, the optimum carrier concentration in CuInTe{sub 2} is proposed to explain the greatly enhanced power factors in the Cd doped CuInTe{sub 2}. In addition, the thermal conductivity is reduced by extra phonon scattering due to the atomic mass and radius fluctuations between Cd and In atoms. The maximum zTs are observed in CuIn{sub 0.98}Cd{sub 0.02}Te{sub 2} and CuIn{sub 0.9}Cd{sub 0.1}Te{sub 2} samples, which are improved by over 100% at room temperature and around 20% at 600 K.

  3. Low-Temperature Transport Properties of Bi-Substituted β-As2Te3 Compounds

    NASA Astrophysics Data System (ADS)

    Vaney, J.-B.; Carreaud, J.; Delaizir, G.; Morin, C.; Monnier, J.; Alleno, E.; Piarristeguy, A.; Pradel, A.; Gonçalves, A. P.; Lopes, E. B.; Candolfi, C.; Dauscher, A.; Lenoir, B.

    2016-03-01

    β-As2Te3 belongs to the family of Bi2Te3-based alloys, a well-known class of efficient thermoelectric materials around room temperature. As2Te3 exists in two allotropic configurations: α- and β-As2Te3, of which only the latter crystallizes in the same rhombohedral structure as Bi2Te3. Herein, we report on substitution of Bi for As in the As2- x Bi x Te3 system with x = 0.0, 0.015, 0.025, and 0.035. These samples have been characterized by x-ray diffraction and scanning electron microscopy. The transport properties have been measured at low temperatures (5 K to 300 K) in both directions, parallel and perpendicular to the pressing direction. The results are compared with those obtained in previous study on samples substituted by Sn. Compared with Sn, Bi allows for a clear decrease in electrical resistivity while maintaining the thermal conductivity below 1 W/(m K) over the whole temperature range. As a result, a comparable peak ZT value near 0.2 was obtained at room temperature.

  4. Structure family and polymorphous phase transition in the compounds with soft sublattice: Cu2Se as an example

    NASA Astrophysics Data System (ADS)

    Qiu, Wujie; Lu, Ping; Yuan, Xun; Xu, Fangfang; Wu, Lihua; Ke, Xuezhi; Liu, Huili; Yang, Jiong; Shi, Xun; Chen, Lidong; Yang, Jihui; Zhang, Wenqing

    2016-05-01

    Quite a few interesting but controversial phenomena, such as simple chemical composition but complex structures, well-defined high-temperature cubic structure but intriguing phase transition, coexist in Cu2Se, originating from the relatively rigid Se framework and "soft" Cu sublattice. However, the electrical transport properties are almost uninfluenced by such complex substructures, which make Cu2Se a promising high-performance thermoelectric compound with extremely low thermal conductivity and good power factor. Our work reveals that the crystal structure of Cu2Se at the temperature below the phase-transition point (˜400 K) should have a group of candidate structures that all contain a Se-dominated face-centered-cubic-like layered framework but nearly random site occupancy of atoms from the "soft" Cu sublattice. The energy differences among those structures are very low, implying the coexistence of various structures and thus an intrinsic structure complexity with a Se-based framework. Detailed analyses indicate that observed structures should be a random stacking of those representative structure units. The transition energy barriers between each two of those structures are estimated to be zero, leading to a polymorphous phase transition of Cu2Se at increasing temperature. Those are all consistent with experimental observations.

  5. Structure family and polymorphous phase transition in the compounds with soft sublattice: Cu2Se as an example.

    PubMed

    Qiu, Wujie; Lu, Ping; Yuan, Xun; Xu, Fangfang; Wu, Lihua; Ke, Xuezhi; Liu, Huili; Yang, Jiong; Shi, Xun; Chen, Lidong; Yang, Jihui; Zhang, Wenqing

    2016-05-21

    Quite a few interesting but controversial phenomena, such as simple chemical composition but complex structures, well-defined high-temperature cubic structure but intriguing phase transition, coexist in Cu2Se, originating from the relatively rigid Se framework and "soft" Cu sublattice. However, the electrical transport properties are almost uninfluenced by such complex substructures, which make Cu2Se a promising high-performance thermoelectric compound with extremely low thermal conductivity and good power factor. Our work reveals that the crystal structure of Cu2Se at the temperature below the phase-transition point (∼400 K) should have a group of candidate structures that all contain a Se-dominated face-centered-cubic-like layered framework but nearly random site occupancy of atoms from the "soft" Cu sublattice. The energy differences among those structures are very low, implying the coexistence of various structures and thus an intrinsic structure complexity with a Se-based framework. Detailed analyses indicate that observed structures should be a random stacking of those representative structure units. The transition energy barriers between each two of those structures are estimated to be zero, leading to a polymorphous phase transition of Cu2Se at increasing temperature. Those are all consistent with experimental observations. PMID:27208953

  6. Thermoelectric generation device based on p-type Bi0.4Sb1.6Te3 and n-type Bi2Se0.6Te2.4 bulk materials prepared by solid state microwave synthesis

    NASA Astrophysics Data System (ADS)

    Kadhim, A.; Hmood, A.; Abu Hassan, H.

    2013-07-01

    This study reports on the fabrication of a chalcogen-based thermoelectric power generation (TEG) device using p-type Bi0.4Sb1.6Te3 and n-type Bi2Se0.6Te2.4 bulk thermoelectric materials. The microstructure of the samples was characterized by scanning electron microscope (SEM). The phase composition of the powders was characterized by X-ray diffraction (XRD), revealing a rhombohedral structure. The thermoelectric (TE) properties such as the Seebeck coefficient (S) and the electrical conductivity (σ) of the resulting alloys were studied in the temperature range of 300-523 K. The power factor (Pfactor) for a Bi0.4Sb1.6Te3 as p-type sample was found to be 4.96 mW/mK2 at 373 K, whereas 2.22 mW/mK2 was obtained at 383 K for a Bi2Se0.6Te2.4 as n-type sample. Electrical power generation characteristics such as high open circuit voltage (Voc) and maximum output power (Pmax) were monitored by changing the temperature conditions required to generate maximum power. The significance of the resistances including the internal resistance (Rin) and contact resistance (RC) between legs and electrodes, are discussed. The maximum output power obtained with the 9 p-n couples device was 39.4 mW under the thermal condition of TH=523 K hot side temperature and ΔT=184 K temperature difference.

  7. Mechanical and Electrical Properties of p-type Bi0.4Sb1.6Te3 and n-type Bi2Se0.6Te2.4 Bulk Material for Thermoelectric Applications

    NASA Astrophysics Data System (ADS)

    Kadhim, A.; Hmood, A.; Hassan, H. A.

    2013-04-01

    This study reports on the fabrication of a chalcogen-based thermoelectric power generation (TEG) device using p-type Bi0.4Sb1.6Te3 and n-type Bi2Se0.6Te2.4 bulk thermoelectric materials. The microstructure of the samples was characterized by field emission scanning electron microscopy (FESEM). The phase composition of the powders was characterized by X-ray diffraction (XRD), revealing a rhombohedral structure. The thermoelectric (TE) properties such as Seebeck coefficient (S) and the electrical conductivity (σ) of the resulting alloys were studied in the temperature range of 300 K to 523 K. The power factor (Pfactor) for a Bi0.4Sb1.6Te3 as p-type sample was found to be 4.96 mW/mK2 at 373 K, whereas 2.22 mW/mK2 was obtained at 383 K for a Bi2Se0.6Te2.4 as n-type sample. Electrical power generation characteristics such as high open circuit voltage (Voc) and maximum output power (Pmax) were monitored by changing the temperature conditions required to generate maximum power. The significance of the resistances including the internal resistance (Rin) and contact resistance (RC) between legs and electrodes, are discussed. The maximum output power obtained with the 9 p-n couples device was 39.4 mW under the thermal condition of TH = 523 K hot side temperature and ΔT = 184 K temperature difference.

  8. Spin waves and magnetic exchange interactions in the spin-ladder compound RbFe2Se3

    DOE PAGES

    Wang, Meng; Yi, Ming; Jin, Shangjian; Jiang, Hongchen; Song, Yu; Luo, Huiqian; Christianson, Andrew D.; de la Cruz, Clarina; Bourret-Courchesne, E.; Yao, Dao-Xin; et al

    2016-07-20

    In this paper, we report an inelastic neutron scattering study of the spin waves of the one-dimensional antiferromagnetic spin ladder compound RbFe2Se3. The results reveal that the products, SJ's, of the spin S and the magnetic exchange interaction J along the antiferromagnetic (leg) direction and the ferromagnetic (rung) direction are comparable with those for the stripe ordered phase of the parent compounds of the iron-based superconductors. Also, the universality of the SJ's implies nearly universal spin wave dynamics and the irrelevance of the fermiology for the existence of the stripe antiferromagnetic order among various Fe-based materials.

  9. Preparation and structure of BiCrTeO{sub 6}: A new compound in Bi–Cr–Te–O system. Thermal expansion studies of Cr{sub 2}TeO{sub 6}, Bi{sub 2}TeO{sub 6} and BiCrTeO{sub 6}

    SciTech Connect

    Vats, Bal Govind; Phatak, Rohan; Krishnan, K.; Kannan, S.

    2013-09-01

    Graphical abstract: A new compound BiCrTeO{sub 6} in the Bi–Cr–Te–O system was prepared by solid state route and characterized by X-ray diffraction method. The crystal structure of BiCrTeO{sub 6} shows that there is one distinct site for bismuth (Bi) atom (pink color), one chromium rich (Cr/Te = 68/32) (blue/green color), one tellurium rich (Te/Cr = 68/32) sites (green/blue color), and one distinct site for oxygen (O) atom (red color) in the unit cell. All cations in this structure show an octahedral coordination with oxygen atoms at the corners. The thermogram (TG) of the compound in air shows that it is stable up to 1103 K and decomposes thereafter. The thermal expansion behaviour of BiCrTeO{sub 6} was studied using high temperature X-ray diffraction method from room temperature to 923 K under vacuum of 10{sup −8} atmosphere and showed positive thermal expansion with the average volume thermal expansion coefficients of 16.0 × 10{sup −6}/K. - Highlights: • A new compound BiCrTeO{sub 6} in Bi–Cr–Te–O system was prepared and characterized. • The crystal structure of BiCrTeO{sub 6} was determined by Rietveld refinement method. • The structure of BiCrTeO{sub 6} shows an octahedral coordination for all the metal ions. • The thermal expansion behavior of BiCrTeO{sub 6} from room temperature to 923 K showed a positive thermal expansion. • The average volume thermal expansion coefficient for BiCrTeO{sub 6} is 16.0 × 10{sup −6}/K. - Abstract: A new compound BiCrTeO{sub 6} in Bi–Cr–Te–O system was prepared by solid state reaction of Bi{sub 2}O{sub 3}, Cr{sub 2}O{sub 3} and H{sub 6}TeO{sub 6} in oxygen and characterized by X-ray diffraction (XRD) method. It could be indexed on a trigonal lattice, with the space group P-31c, unit cell parameters a = 5.16268(7) Å and c = 9.91861(17) Å. The crystal structure of BiCrTeO{sub 6} was determined by Rietveld refinement method using the powder XRD data. Structure shows that there is one distinct

  10. Diffusion coefficients of two mobile ions in three AB3In7VI12 single crystals (AB=Cu and Ag VI=Se or Te). Proposition of an equivalent electrical circuit

    NASA Astrophysics Data System (ADS)

    Díaz, R.

    2012-06-01

    Diffusion coefficients of two mobile ions are computed from the conductivity variation with time of three In-rich chalcopyrite single crystals of the ABn-3Inn+1VI2n system (AB=Cu and Ag and VI=Se or Te). The coefficients have similar values in the three compounds, higher than in chalcopyrite compounds (ABInSe2) due to a higher number of (2VCu+InCu) defect pairs in the lattice. In each compound, the potential across the sample or the current intensity, Vm and I, can increase or decrease within time due to a change in the interface potential by the ion arrival, where the decrease could be explained by a charge decrease. Mobile ions arrive while others, with higher charge, should leave related to the formation or disappearance of (2VCu+InCu) defect pairs. Compositional measurements confirm the motion of Cu ions and In antisites, InCu, in the Cu sublattice. Therefore, these compounds are mixed ionic and electronic conductors, MIECs, with two mobile ions, where the electronic and ionic conductions are non-blocked and blocked in the metal/semiconductor interface respectively. An equivalent electrical circuit is proposed, extensible at MIECs with j mobile ions, where the interface potential is similar to the potential drop in the charge or discharge in the capacitor. The analysis of the total flux of ions due to diffusion, jdiff, and to the action of electrical field, jdrift, permits compute the number of ions, their diffusion coefficients and the change of the potential drop within time in the interface in compounds with several mobile ions. This electrical model is checked using the experimental data in the three single crystals in a computer program. To know different mobile ions in In-rich chalcopyrites and their diffusion coefficients will permit to understand and have mechanisms of control in solar cell fabrication based in chalcopyrite thin films.

  11. Integration of CdSe/CdSexTe1-x Type-II Heterojunction Nanorods into Hierarchically Porous TiO2 Electrode for Efficient Solar Energy Conversion.

    PubMed

    Lee, Sangheon; Flanagan, Joseph C; Kang, Joonhyeon; Kim, Jinhyun; Shim, Moonsub; Park, Byungwoo

    2015-01-01

    Semiconductor sensitized solar cells, a promising candidate for next-generation photovoltaics, have seen notable progress using 0-D quantum dots as light harvesting materials. Integration of higher-dimensional nanostructures and their multi-composition variants into sensitized solar cells is, however, still not fully investigated despite their unique features potentially beneficial for improving performance. Herein, CdSe/CdSe(x)Te(1-x) type-II heterojunction nanorods are utilized as novel light harvesters for sensitized solar cells for the first time. The CdSe/CdSe(x)Te(1-x) heterojunction-nanorod sensitized solar cell exhibits ~33% improvement in the power conversion efficiency compared to its single-component counterpart, resulting from superior optoelectronic properties of the type-II heterostructure and 1-octanethiol ligands aiding facile electron extraction at the heterojunction nanorod-TiO(2) interface. Additional ~32% enhancement in power conversion efficiency is achieved by introducing percolation channels of large pores in the mesoporous TiO(2) electrode, which allow 1-D sensitizers to infiltrate the entire depth of electrode. These strategies combined together lead to 3.02% power conversion efficiency, which is one of the highest values among sensitized solar cells utilizing 1-D nanostructures as sensitizer materials. PMID:26638994

  12. Integration of CdSe/CdSexTe1-x Type-II Heterojunction Nanorods into Hierarchically Porous TiO2 Electrode for Efficient Solar Energy Conversion.

    PubMed

    Lee, Sangheon; Flanagan, Joseph C; Kang, Joonhyeon; Kim, Jinhyun; Shim, Moonsub; Park, Byungwoo

    2015-12-07

    Semiconductor sensitized solar cells, a promising candidate for next-generation photovoltaics, have seen notable progress using 0-D quantum dots as light harvesting materials. Integration of higher-dimensional nanostructures and their multi-composition variants into sensitized solar cells is, however, still not fully investigated despite their unique features potentially beneficial for improving performance. Herein, CdSe/CdSe(x)Te(1-x) type-II heterojunction nanorods are utilized as novel light harvesters for sensitized solar cells for the first time. The CdSe/CdSe(x)Te(1-x) heterojunction-nanorod sensitized solar cell exhibits ~33% improvement in the power conversion efficiency compared to its single-component counterpart, resulting from superior optoelectronic properties of the type-II heterostructure and 1-octanethiol ligands aiding facile electron extraction at the heterojunction nanorod-TiO(2) interface. Additional ~32% enhancement in power conversion efficiency is achieved by introducing percolation channels of large pores in the mesoporous TiO(2) electrode, which allow 1-D sensitizers to infiltrate the entire depth of electrode. These strategies combined together lead to 3.02% power conversion efficiency, which is one of the highest values among sensitized solar cells utilizing 1-D nanostructures as sensitizer materials.

  13. Dynamics and mechanism of oxygen annealing in Fe1+yTe0.6Se0.4 single crystal.

    PubMed

    Sun, Yue; Tsuchiya, Yuji; Taen, Toshihiro; Yamada, Tatsuhiro; Pyon, Sunseng; Sugimoto, Akira; Ekino, Toshikazu; Shi, Zhixiang; Tamegai, Tsuyoshi

    2014-01-01

    Iron chalcogenide Fe(Te,Se) attracted much attention due to its simple structure, which is favorable for probing the superconducting mechanism. Its less toxic nature compared with iron arsenides is also advantageous for applications of iron-based superconductors. By intercalating spacer layers, superconducting transition temperature has been raised over 40 K. On the other hand, the presence of excess Fe is almost unavoidable in Fe(Te,Se) single crystals, which hinders the appearance of bulk superconductivity and causes strong controversies over its fundamental properties. Here we report a Systematical study of O2-annealing dynamics in Fe(1+y)Te(1-x)Sex by controlling the amount of O2, annealing temperature, and time. Bulk superconductivity can be gradually induced by increasing the amount of O2 and annealing time at suitable temperatures. The optimally annealed crystals can be easily obtained by annealing with ~1.5% molar ratio of oxygen at 400 °C for more than 1 hour. Superconductivity was witnessed to evolve mainly from the edge of the crystal to the central part. After the optimal annealing, the complete removal of excess Fe was demonstrated via STM measurements. Some fundamental properties were recharacterized and compared with those of as-grown crystals to discuss the influence of excess Fe. PMID:24695095

  14. Comparison of crystal growth and thermoelectric properties of n-type Bi-Se-Te and p-type Bi-Sb-Te nanocrystalline thin films: Effects of homogeneous irradiation with an electron beam

    SciTech Connect

    Takashiri, Masayuki Imai, Kazuo; Uyama, Masato; Nishi, Yoshitake; Hagino, Harutoshi; Miyazaki, Koji; Tanaka, Saburo

    2014-06-07

    The effects of homogenous electron beam (EB) irradiation on the crystal growth and thermoelectric properties of n-type Bi-Se-Te and p-type Bi-Sb-Te thin films were investigated. Both types of thin films were prepared by flash evaporation, after which homogeneous EB irradiation was performed at an acceleration voltage of 0.17 MeV. For the n-type thin films, nanodots with a diameter of less than 10 nm were observed on the surface of rice-like nanostructures, and crystallization and crystal orientation were improved by EB irradiation. The resulting enhancement of mobility led to increased electrical conductivity and thermoelectric power factor for the n-type thin films. In contrast, the crystallization and crystal orientation of the p-type thin films were not influenced by EB irradiation. The carrier concentration increased and mobility decreased with increased EB irradiation dose, possibly because of the generation of defects. As a result, the thermoelectric power factor of p-type thin films was not improved by EB irradiation. The different crystallization behavior of the n-type and p-type thin films is attributed to atomic rearrangement during EB irradiation. Selenium in the n-type thin films is more likely to undergo atomic rearrangement than the other atoms present, so only the crystallinity of the n-type Bi-Se-Te thin films was enhanced.

  15. The new misfit compound (BiSe){sub 1.15}(TiSe{sub 2}){sub 2} and the role of dimensionality in the Cu{sub x}(BiSe){sub 1+δ}(TiSe{sub 2}){sub n} series

    SciTech Connect

    Trump, Benjamin A.; Livi, Kenneth J.T.; McQueen, Tyrel M.

    2014-01-15

    The synthesis and physical properties of the new misfit compound (BiSe){sub 1.15}(TiSe{sub 2}){sub 2} are reported. Transmission electron microscopy and powder X-ray diffraction show that the structure consists of alternating rock-salt type BiSe layers and hexagonal (TiSe{sub 2}){sub 2} double layers. Resistivity, specific heat, and magnetization measurements show that it has metallic and diamagnetic behaviors. These results are interpreted and discussed in the context of the transition between single-layer (BiSe){sub 1.13}(TiSe{sub 2}), which shows no charge density wave, and infinite-layered (bulk) 1T-TiSe{sub 2}, which undergoes a charge density wave transition at T=202 K. Intercalation with copper, Cu{sub x}(BiSe){sub 1.15}(TiSe{sub 2}){sub 2}, (0≤x≤0.10) is also reported, but unlike Cu{sub x}TiSe{sub 2}, no superconductivity is observed down to T=0.05 K. Thus, the series Cu{sub x}(BiSe){sub 1+δ}(TiSe{sub 2}){sub n} provides an effective approach to elucidate the impact of dimensionality on charge density wave formation and superconductivity. - Graphical abstract: The newly discovered misfit compound (BiSe){sub 1.15}(TiSe{sub 2}){sub 2} shown in the series (BiSe){sub 1+δ}(TiSe{sub 2}){sub n}. Display Omitted - Highlights: • Reports the structure and properties of the new misfit compound (BiSe){sub 1.15}(TiSe{sub 2}){sub 2}. • The structure consists of a rock salt type BiSe layer and a double (TiSe{sub 2}){sub 2} layer. • The n=1, 2 misfits (BiSe){sub 1+δ}(TiSe{sub 2}){sub n} are found not to exhibit CDW transitions. • Evidence is presented that there is likely a low-lying CDW excited state. • The series Cu{sub x}(BiSe){sub 1+δ}(TiSe{sub 2}){sub 2} does not superconduct, unlike Cu{sub x}TiSe{sub 2}.

  16. Optical Properties of the Charge-Density-Wave Polychalcogenide Compounds R2Te5 (R=Nd, Sm and Gd)

    SciTech Connect

    Pfuner, F.; Degiorgi, L.; Shin, K.Y.; Fisher, I.R.; /Stanford U., Geballe Lab.

    2010-02-15

    We investigate the rare-earth polychalcogenide R{sub 2}Te{sub 5} (R = Nd, Sm and Gd) charge-density-wave (CDW) compounds by optical methods. From the absorption spectrum we extract the excitation energy of the CDW gap and estimate the fraction of the Fermi surface which is gapped by the formation of the CDW condensate. In analogy to previous findings on the related RTe{sub n} (n = 2 and 3) families, we establish the progressive closing of the CDW gap and the moderate enhancement of the metallic component upon chemically compressing the lattice.

  17. Tunable thermoelectric transport properties of Cu0.008Bi2Te2.7Se0.3 via control of the spark plasma sintering conditions

    NASA Astrophysics Data System (ADS)

    Moon, Seung Pil; Ahn, Yeon Sik; Kim, Tae Wan; Choi, Soon-Mok; Park, Hee Jung; Kim, Sung Wng; Lee, Kyu Hyoung

    2016-09-01

    Polycrystalline bulks of n-type Cu0.008Bi2Te2.7Se0.3 were prepared to investigate the controllability of its thermoelectric transport properties by using the compaction conditions of spark plasma sintering (SPS). The 00 l crystal orientation to the press direction of the SPSed bulks was easily improved by increasing the applied pressure at 500 °C. The thermoelectric figure of merit, ZT values (0.72 - 0.75 at 300 K), of all samples were almost the same, however, both the electronic and the thermal transport properties could be tuned significantly by adjusting the sintering pressure. This result highlights the feasibility of using pressure-induced sintering as a fabrication technology for Bi2Te3-based polycrystalline bulks with high mechanical reliability, which is an effective means of optimizing the electrical and the thermal conductivities for maximizing the efficiencies of the thermoelectric cooling and the power generation modules.

  18. Electrical properties of Ge crystals and effective Schottky barrier height of NiGe/Ge junctions modified by P and chalcogen (S, Se, or Te) co-doping

    NASA Astrophysics Data System (ADS)

    Koike, Masahiro; Kamimuta, Yuuichi; Tezuka, Tsutomu; Yamabe, Kikuo

    2016-09-01

    The electrical properties of Ge crystals and the effective Schottky barrier height (SBH) of NiGe/Ge diodes fabricated by P and/or chalcogen (S, Se, or Te) doping were investigated for Ge n-channel metal-oxide-semiconductor field-effect transistors with a NiGe/n+Ge junction. The electron concentration in Ge was increased more by co-doping with chalcogen and P than by doping with P alone. Moreover, SBH values were decreased in NiGe/nGe diodes and increased in NiGe/pGe diodes compared with undoped NiGe/Ge by both P doping and P and chalcogen co-doping. Co-doping with Te and P was most effective in modifying the SBH.

  19. Friedel-Like Oscillations from Interstitial Iron in Superconducting Fe1+yTe0.62Se0.38

    SciTech Connect

    Thampy, Vivek; Kang, Jian; Rodriguez-Rivera, J A; Bao, Wei; Savici, Andrei T; Hu, Jin; Liu, Tijiang; Qian, Bin; Fobes, David; Mao, Z Q; Fu, Changbo; Chen, W. C.; Ye, Qiang; Erwin, R; Gentile, T. R.; Tesanovic, Zlatko; Broholm, Collin L

    2012-01-01

    Using polarized and unpolarized neutron scattering we show that interstitial Fe in superconducting Fe$_{1+y}$Te$_{1-x}$Se$_x$ induces a magnetic Friedel-like oscillation that diffracts at ${\\bf Q}_{\\perp}=(\\frac{1}{2}0)$ and involves $>$50 neighboring Fe sites. The interstitial $>2$~$\\mu_B$ moment is surrounded by compensating ferromagnetic four spin clusters that may seed double stripe ordering in Fe$_{1+y}$Te. A semi-metallic 5-band model with $(\\frac{1}{2}\\frac{1}{2})$ Fermi surface nesting and four fold symmetric super-exchange between interstitial Fe and two in-plane nearest neighbors largely accounts for the observed diffraction.

  20. Nanostructure investigation of the layered ternary compound Ni3-x Sn1-y Te2

    NASA Astrophysics Data System (ADS)

    Dankwort, T.; Duppel, V.; Deiseroth, H.-J.; Reiner, C.; Schlosser, M.; Kienle, L.

    2016-09-01

    The structure of Ni3-x Sn1-y Te2 is characterized by layered structural motifs related to an average NiAs/Ni2In-type. Order/disorder phenomena were analyzed via a detailed nanostructure investigation including electron diffraction and high resolution transmission electron microscopy (HRTEM) in conjunction with image simulation. Dependent on the stoichiometry, commensurate and incommensurate satellite reflections with respect to the parent NiAs structure were observed in Fourier transform and electron diffraction pattern as a result of occupational modulation of Te and Sn atoms. For the commensurate case a triplication of the c-lattice parameter is evident as a result of Sn-Te-Te stacking. Further, HRTEM micrographs indicate additional ordering phenomena along the c* direction depending on Ni/vacancy ordering which was rationalized by an alternating filling of van der Waals gaps with Ni. Also morphological defects in bright field images were observed. HRTEM investigations prove that these morphological defects are of structural nature, i.e. they are based on domains shifted relative to each other (antiphase boundaries).

  1. Effect of annealing temperature on the structure and optical parameters of Ge{sub 20}Se{sub 50}Te{sub 30} thin films

    SciTech Connect

    Mohamed, Mansour

    2015-05-15

    Highlights: • The amorphous nature of as prepared Ge{sub 20}Se{sub 50}Te{sub 30} films was confirmed by XRD. • The thermal annealing was found to affect the structure and optical parameter. • Thermal annealing resulted in an appearance of crystalline phases in studied films. • The average particle size increased with increasing the annealing temperature. • The indirect band gap was found to decrease with increasing annealing temperature. - Abstract: Bulk glasses and thin films of Ge{sub 20}Se{sub 50}Te{sub 30} were prepared by melt-quenching and thermal evaporation technique, respectively. The stoichiometry of the composition was checked by energy dispersive X-ray diffraction (EDX), whereas the crystallization was investigated using differential scanning calorimetery (DSC). The effect of heat treatment on the structure transformation of Ge{sub 20}Se{sub 50}Te{sub 30} films was determined by X-ray diffraction (XRD). The XRD results reveal that the as-prepared films are amorphous in nature while the annealed ones show crystalline phases. Further, the average crystallite size, strain, and dislocation density were found to depend on the annealing temperature. The optical transmittance and reflectance of the studied films at different annealing temperatures were measured using spectrophotometer. The optical parameters were calculated as a function of annealing temperature. The optical transition was found to be allowed indirect transition with optical band gap decreases from 1.69 to 1.41 eV with increasing the annealing temperature from 553 to 633 K.

  2. Electronic structure, transport, and phonons of SrAgChF (Ch = S,Se,Te): Bulk superlattice thermoelectrics

    SciTech Connect

    Gudelli, Vijay Kumar; Kanchana, V.; Vaitheeswaran, G.; Singh, David J.; Svane, Axel; Christensen, Niels Egede; Mahanti, Subhendra D.

    2015-07-15

    Here, we report calculations of the electronic structure, vibrational properties, and transport for the p-type semiconductors, SrAgChF (Ch = S, Se, and Te). We find soft phonons with low frequency optical branches intersecting the acoustic modes below 50 cm–1, indicative of a material with low thermal conductivity. The bands at and near the valence-band maxima are highly two-dimensional, which leads to high thermopowers even at high carrier concentrations, which is a combination that suggests good thermoelectric performance. These materials may be regarded as bulk realizations of superlattice thermoelectrics.

  3. Effect of heating rate on the glass transition temperature in Se79Te15In6-xPbx bulk alloys using power-law behaviour

    NASA Astrophysics Data System (ADS)

    Patial, Balbir Singh; Thakur, Nagesh; Tripathi, S. K.

    2014-04-01

    In the present study, the effect of heating rate on the glass transition temperature (Tg) in quaternary Se79Te15In6-xPbx (x = 0.5, 1, 2 and 4) chalcogenide bulk alloys using differential scanning calorimetry (DSC) experiment under non-isothermal conditions has been reported and discussed. The heating rate dependence of Tg has been investigated theoretically using power-law behaviour. An excellent agreement of Tg has been observed between experimental values obtained from DSC scans and theoretical values using power-law behaviour.

  4. Continuous-wave pumping of multiexciton bands in the photoluminescence spectrum of a single CdTe-CdSe core-shell colloidal quantum dot.

    PubMed

    Osovsky, Ruth; Cheskis, Dima; Kloper, Viki; Sashchiuk, Aldona; Kroner, Martin; Lifshitz, Efrat

    2009-05-15

    Single-exciton, biexciton, triexciton, and quadraexciton bands were resolved in the microphotoluminescence spectrum of a single CdTe/CdSe core-shell colloidal quantum dot, revealing nearly blinking-free behavior. Multiexcitons were generated by a sequential filling of electronic shells with the increase of a continuous-wave excitation power, and their probability was evaluated under steady-state conditions. A partial carriers' delocalization was determined at the core-shell interface, and an exciton binding energy was estimated by a second-order perturbation theory.

  5. Ballistic performance comparison of monolayer transition metal dichalcogenide MX2 (M = Mo, W; X = S, Se, Te) metal-oxide-semiconductor field effect transistors

    NASA Astrophysics Data System (ADS)

    Chang, Jiwon; Register, Leonard F.; Banerjee, Sanjay K.

    2014-02-01

    We study the transport properties of monolayer MX2 (M = Mo, W; X = S, Se, Te) n- and p-channel metal-oxide-semiconductor field effect transistors (MOSFETs) using full-band ballistic non-equilibrium Green's function simulations with an atomistic tight-binding Hamiltonian with hopping potentials obtained from density functional theory. We discuss the subthreshold slope, drain-induced barrier lowering (DIBL), as well as gate-induced drain leakage (GIDL) for different monolayer MX2 MOSFETs. We also report the possibility of negative differential resistance behavior in the output characteristics of nanoscale monolayer MX2 MOSFETs.

  6. Negative differential conductance in nano-scale normal metal/superconductor/normal metal junctions featuring Fe1 + y Te1 - x Se x

    NASA Astrophysics Data System (ADS)

    De, Debtanu; Diaz-Pinto, Carlos; Wu, Zheng; Peng, Haibing

    2012-11-01

    Iron-based superconductors have been the subject of intensive study due to their high transition temperature and intriguing physical mechanisms. We describe a unique experimental approach to fabricate nano-scale normal metal/superconductor/normal metal junctions involving microcrystals of Fe1 + y Te1 - x Se x , for which we have observed a distinct phenomenon of negative differential conductance (NDC) dips along with multiple plateau features in differential conductance spectra. The evolution of the NDC dips and the plateau features is further explored as a function of both temperature and magnetic field, and their physical origin is discussed.

  7. CdTe detector efficiency calibration using thick targets of pure and stable compounds

    NASA Astrophysics Data System (ADS)

    Chaves, P. C.; Taborda, A.; Reis, M. A.

    2012-02-01

    Quantitative PIXE measurements require perfectly calibrated set-ups. Cooled CdTe detectors have good efficiency for energies above those covered by Si(Li) detectors and turn on the possibility of studying K X-rays lines instead of L X-rays lines for medium and eventually heavy elements, which is an important advantage in various cases, if only limited resolution systems are available in the low energy range. In this work we present and discuss spectra from a CdTe semiconductor detector covering the energy region from Cu (K α1 = 8.047 keV) to U (K α1 = 98.439 keV). Pure thick samples were irradiated with proton beams at the ITN 3.0 MV Tandetron accelerator in the High Resolution High Energy PIXE set-up. Results and the application to the study of a Portuguese Ossa Morena region Dark Stone sample are presented in this work.

  8. Structural investigation of the Cu{sub 2}Se-In{sub 2}Se{sub 3}-Ga{sub 2}Se{sub 3} phase diagram, X-ray photoemission and optical properties of the Cu{sub 1-z}(In{sub 0.5}Ga{sub 0.5}){sub 1+z/3}Se{sub 2} compounds

    SciTech Connect

    Souilah, M.; Lafond, A.; Guillot-Deudon, C.; Harel, S.; Evain, M.

    2010-10-15

    Structures of compounds in the Cu{sub 2}Se-In{sub 2}Se{sub 3}-Ga{sub 2}Se{sub 3} system have been investigated through X-ray diffraction. Single crystal structure studies for the so-called stoichiometric compounds Cu(In,Ga)Se{sub 2} (CIGSe) confirm that the chalcopyrite structure (space group I4-bar 2d) is very flexible and can adapt itself to the substitution of Ga for In. On the other hand a structure modification is evidenced in the Cu{sub 1-z}(In{sub 0.5}Ga{sub 0.5}){sub 1+z/3}Se{sub 2} series when the copper vacancy ratio (z) increases; the chalcopyrite structure turns to a modified-stannite structure (I4-bar 2m) when z{>=}0.26. There is a continuous evolution of the structure from Cu{sub 0.74}(In{sub 0.5}Ga{sub 0.5}){sub 1.09}Se{sub 2} to Cu{sub 0.25}(In{sub 0.5}Ga{sub 0.5}){sub 1.25}Se{sub 2} ((i.e. Cu(In{sub 0.5}Ga{sub 0.5}){sub 5}Se{sub 8}), including Cu{sub 0.4}(In{sub 0.5}Ga{sub 0.5}){sub 1.2}Se{sub 2} (i.e. Cu(In{sub 0.5}Ga{sub 0.5}){sub 3}Se{sub 5}). From this single crystal structural investigation, it is definitively clear that no ordered vacancy compound exists in that series. X-ray photoemission spectroscopy study shows for the first time that the surface of powdered Cu{sub 1-z}(In{sub 0.5}Ga{sub 0.5}){sub 1+z/3}Se{sub 2} compounds (z{ne}0) is more copper-poor than the bulk. The same result has often been observed on CIGSe thin films material for photovoltaic applications. In addition, optical band gaps of these non-stoichiometric compounds increase from 1.2 to 1.4 eV when z varies from 0 to 0.75. - Abstract: Pseudo-ternary diagram in the Cu{sub 2}Se-In{sub 2}Se{sub 3}-Ga{sub 2}Se{sub 3} system showing the composition of all the synthesized compounds. The crystal structure of the compounds corresponding to red circles are presented in this study.

  9. Bond-equilibrium theory of liquid Se-Te alloys. II. Effect of singly attached ring molecules

    NASA Astrophysics Data System (ADS)

    Cutler, Melvin; Bez, Wolfgang G.

    1981-06-01

    A statistical-mechanical theory for bond equilibrium of chain polymers containing threefold (3F) and onefold (1F) bond defects is extended to include the effects of free ring molecules and ring molecules attached to chains by a single 3F atom. Positively charged singly attached rings are shown to play a key role in bond equilibrium in liquid Sex Te1-x by permitting the formation of ion pairs in which both constituents are effectively chain terminators, thus decreasing the average polymer size. The theory is applied to explain the behavior of the paramagnetic susceptibility, χp, and electronic transport as affected by the Fermi energy EF. It is found that the increase in χp with the concentration of Te is primarily the result of the smaller energy for breaking Te bonds. In addition, attached rings play an important role in determining the effect of temperature on χp. At x<~0.5, the concentrations of both free and attached rings becomes small at high T because of the high concentration of bond defects.

  10. Surface half-metallicity of half-Heusler compound FeCrSe and interface half-metallicity of FeCrSe/GaP

    NASA Astrophysics Data System (ADS)

    Khalaf Al-zyadi, Jabbar M.; Jolan, Mudhahir H.; Yao, Kai-Lun

    2016-04-01

    Recent studies showed that half-Heusler FeCrSe exhibits half-metallic ferromagnetism (Huang et al. [20]). In this paper, we investigate extensively the electronic, magnetic, and half-metallic properties of the half-Heusler alloy FeCrSe (111) and (001) surfaces and the interface with GaP (111) substrate by using the first-principles calculations within the density functional theory. The atomic density of states demonstrates that the half-me tallicity verified in the bulk FeCrSe is maintained at the CrSe-terminated (001) and Se-terminated (111) surfaces, but lost at both Cr- and Fe-terminated (111) surfaces and the Fe-terminated (001) surface. Alternatively, for the interface of FeCrSe/GaP (111), the bulk half-metallicity is destroyed at Se-P configuration while Se-Ga interface and subinterface show nearly 100% spin polarization. Moreover, the calculated interfacial adhesion energies exhibit that Se-Ga shape is more stable than the Se-P one. The calculated magnetic moments of Se, Ga at the Se-Ga (111) interface and P at the Se-P (111) interface increase with respect to the corresponding bulk values while the atomic magnetic moment of Se atom at the Se-P (111) interface decreases. We also notice that the magnetic moments of subinterface Fe at both Se-Ga and Se-P (111) interfaces decrease compared to the bulk values.

  11. Development of a computer model for polycrystalline thin-film CuInSe{sub 2} and CdTe solar cells. Annual subcontract report, 1 January 1990--31 December 1990

    SciTech Connect

    Gray, J.L.; Schwartz, R.J.; Lee, Y.J.

    1992-04-01

    This report describes work to develop a highly accurate numerical model for CuInSe{sub 2} and CdTe solar cells. ADEPT (A Device Emulation Program and Toolbox), a one-dimensional semiconductor device simulation code developed at Purdue University, was used as the basis of this model. An additional objective was to use ADEPT to analyze the performance of existing and proposed CuInSe{sub 2} and CdTe solar cell structures. The work is being performed in two phases. The first phase involved collecting device performance parameters, cell structure information, and material parameters. This information was used to construct the basic models to simulate CuInSe{sub 2} and CdTe solar cells. This report is a tabulation of information gathered during the first phase of this project on the performance of existing CuInSe{sub 2} and CdTe solar cells, the material properties of CuInSr{sub 2}, CdTe, and CdS, and the optical absorption properties of CuInSe{sub 2}, CdTe, and CdS. The second phase will entail further development and the release of a version of ADEPT tailored to CuInSe{sub 2} and CdTe solar cells that can be run on a personal computer. In addition, ADEPT will be used to analyze the performance of existing and proposed CuInSe{sub 2} and CdTe solar cell structures. 110 refs.

  12. Magnetic and resistive superconducting transitions in the iron-containing compounds FeSe and LaOFFeAs

    NASA Astrophysics Data System (ADS)

    Chiang, Yu. N.; Dzyuba, M. O.

    2016-09-01

    A null-picovoltmeter converted into a highly sensitive magnetometer is used for the first time to compare the temperature behavior of magnetic and resistive transitions into the superconducting state of samples of the iron-containing compounds FeSe (single crystal) and LaOFFeAs (granular) with the same transitions in a classical single-component superconductor (Pb). It is discovered that the temperature behavior of these transitions in the iron-containing superconductors differs thermodynamically from their behavior in Pb, and radically so in the case of the granular LaOFFeAs samples. It is also found that the magnetic susceptibility of FeSe in the non-superconducting state has a positive sign indicative of ferromagnetic ordering of the local spins of the iron ions, while the susceptibility of the LaOFFeAs samples in this state remains diamagnetic. The observed features of the superconducting transitions are analyzed.

  13. Optoelectrical, structural and morphological characterization of Cu2ZnSnSe4 compound used in photovoltaic applications

    NASA Astrophysics Data System (ADS)

    Mesa, F.; Leguizamon, A.; Dussan, A.; Gordillo, G.

    2016-10-01

    In this work, results are reported concerning the effect of the deposition parameters on the structural properties of Cu2ZnSnSe4 (CZTSe) thin films, grown through a chemical reaction of the metallic precursors by co-evaporation in a two-stage process. XRD measurements revealed that the samples deposited by selenization of Cu and Sn grow in the kesterite phase (CZTSe), respectively. Effect of the deposition temperature and mass ratio Cu/ZnSe on the transport properties of CZTSe films were analyzed. It was also found that the electrical conductivity of the thin films is affected by the transport of free carriers in extended states of the conduction band as well as for variable range hopping transport mechanisms, each one predominating in a different temperature range. The molecular and morphological effect on the compound through Raman and AFM measurements was studied.

  14. Effect of charge trapping on effective carrier lifetime in compound semiconductors: High resistivity CdZnTe

    SciTech Connect

    Kamieniecki, Emil

    2014-11-21

    The dominant problem limiting the energy resolution of compound semiconductor based radiation detectors is the trapping of charge carriers. The charge trapping affects energy resolution through the carrier lifetime more than through the mobility. Conventionally, the effective carrier lifetime is determined using a 2-step process based on measurement of the mobility-lifetime product (μτ) and determining drift mobility using time-of-flight measurements. This approach requires fabrication of contacts on the sample. A new RF-based pulse rise-time method, which replaces this 2-step process with a single non-contact direct measurement, is discussed. The application of the RF method is illustrated with high-resistivity detector-grade CdZnTe crystals. The carrier lifetime in the measured CdZnTe, depending on the quality of the crystals, was between about 5 μs and 8 μs. These values are in good agreement with the results obtained using conventional 2-step approach. While the effective carrier lifetime determined from the initial portion of the photoresponse transient combines both recombination and trapping in a manner similar to the conventional 2-step approach, both the conventional and the non-contact RF methods offer only indirect evaluation of the effect of charge trapping in the semiconductors used in radiation detectors. Since degradation of detector resolution is associated not with trapping but essentially with detrapping of carriers, and, in particular, detrapping of holes in n-type semiconductors, it is concluded that evaluation of recombination and detrapping during photoresponse decay is better suited for evaluation of compound semiconductors used in radiation detectors. Furthermore, based on previously reported data, it is concluded that photoresponse decay in high resistivity CdZnTe at room temperature is dominated by detrapping of carriers from the states associated with one type of point defect and by recombination of carriers at one type of

  15. Reinvestigation of the influence of Se impurity on the structural and thermoelectric properties of AgSbTe2

    NASA Astrophysics Data System (ADS)

    Schmidt, M.; Wojciechowski, K. T.

    2012-06-01

    The samples with the nominal composition of AgSbTe2-xSex (x = 0.0‥ 0.1) were prepared. The structural properties were investigated by X-ray diffraction and SEM microscopy. The electrical conductivity, thermal conductivity and Seebeck coefficient have been measured within the temperature range from 300 to 675K. Heat capacity and phase transitions were studied by DSC method. We have confirmed that prolonged annealing leads to decomposition of materials and degradation of their thermoelectric properties.

  16. Surface origin of quasi-2D Shubnikov–de Haas oscillations in Bi{sub 2}Te{sub 2}Se

    SciTech Connect

    Kapustin, A. A. Stolyarov, V. S.; Bozhko, S. I.; Borisenko, D. N.; Kolesnikov, N. N.

    2015-08-15

    Transport measurements at liquid helium temperatures were done on a number of Bi{sub 2}Te{sub 2}Se samples with thicknesses ranging from 30 to 200 μm in order to detect surface states. In each sample we observed Shubnikov–de Haas (SdH) oscillations and sublinear dependence of off-diagonal component of magnetoresistance tensor on magnetic field. The periods of SdH oscillations in inverse magnetic field were found to be the same within 15%. The positions of SdH oscillations are determined by the normal to surface component of magnetic field. We found that the measured conductivity can be well described by a model with two groups of electrons, 2D and 3D. The conductivity of 2D electrons was found to be relatively weakly varying from sample to sample and not depending on thickness in a systematic manner. This behavior can be explained only by their localization on the surface. Comparison of the results of magnetotransport measurements with our scanning tunneling spectroscopy results on atomically smooth Bi{sub 2}Te{sub 2}Se surface in ultrahigh vacuum led us to conclude that the surface electrons are separated from the bulk electrons by a depletion layer approximately 100 nm thick. This effect could provide the dominant contribution of surface electrons to conductivity in samples with thicknesses less than 200 nm.

  17. Mechanical strain dependent electronic and dielectric properties of two-dimensional honeycomb structures of MoX2 (X=S, Se, Te)

    NASA Astrophysics Data System (ADS)

    Kumar, Ashok; Ahluwalia, P. K.

    2013-06-01

    Mechanical strain induced tunability in two-dimensional (2D) honeycomb structures of MoX2 (X=S, Se, Te) with a focus on dielectric properties have been investigated in the framework of density functional theory. Mechanical strains reduce the band gap of considered semiconductors by causing a direct-to-indirect band gap transitions and finally rendering them into metal at critical value depending on the types of applied strain. The ultimate tensile strength estimated for MoS2, MoSe2 and MoTe2 monolayers is ∼7 GPa, ∼6 GPa and ∼5 GPa respectively. Band-gap deformation potentials have been found to posses strong dependence on the types of applied strain. Small tensile strains increases the exciton binding energies which can have importance in the applications of optoelectronics. Dielectric properties too get influenced by the type of applied strain as well as the type of material. Imaginary part of dielectric function (ɛ2) shows redshift in the structure peak energy on the application of strains with significant dependence on the types of applied strain. Static dielectric constant (ɛs) has been found to increase with the increase of tensile strains (both uniaxial and biaxial) and asymmetric biaxial strain. On the other hand, ɛs decreases for smaller magnitude of compression strains and show increase at higher magnitude. The change in the magnitude of ɛs particularly for compression strains remain material specific.

  18. Doping effects of Co and Cu on superconductivity and magnetism in Fe1+yTe0.6Se0.4 single crystals

    NASA Astrophysics Data System (ADS)

    Zhang, Z. T.; Yang, Z. R.; Li, L.; Ling, L. S.; Zhang, C. J.; Pi, L.; Zhang, Y. H.

    2013-01-01

    We report on the investigation of Co and Cu substitution effects on superconductivity and magnetism in Fe1+yTe0.6Se0.4 single crystals. The parent Fe1.01Te0.59Se0.41 shows a nodeless bulk superconductivity as revealed in heat capacity measurement, which is gradually suppressed by either Co or Cu doping. It is found that the Co or Cu doping mainly serves as scatterers rather than charge carrier doping, which is in agreement with the DFT calculation (2010 Phys. Rev. Lett. 105 157004) reported by Wadati et al. In comparison with Cu doping, Co doping shows a stronger influence on magnetism while a less evident suppression effect on superconductivity. Upon substitution of Co for Fe, a Schottky heat capacity anomaly develops gradually at low temperatures, implying the existence of a paramagnetic moment in the Co-doped samples. In contrast, Cu doping may mainly serve as non-magnetic scatterers, where no Schottky anomaly is observed.

  19. Thermoelectric Properties of Cu-doped Bi2Te2.85Se0.15 Prepared by Pulse-Current Sintering Under Cyclic Uniaxial Pressure

    NASA Astrophysics Data System (ADS)

    Kitagawa, Hiroyuki; Mimura, Naoki; Takimura, Kodai; Morito, Shigekazu; Kikuchi, Kotaro

    2016-03-01

    N-type Cu-doped Bi2Te2.85Se0.15 thermoelectric materials were prepared by pulse-current sintering under cyclic uniaxial pressure, and the effect of the cyclic uniaxial pressure on texture and thermoelectric properties was investigated. Cu x Bi2Te2.85Se0.15 ( x = 0-0.03) powder prepared by mechanical alloying was sintered at 673 K using pulse-current heating under 100 MPa of cyclic uniaxial pressure. X-ray diffraction patterns and electron backscattered diffraction analyses showed that the cyclic uniaxial pressure was effective for texture control. The flattened crystal grains were stacked in the thickness direction of the sintered materials and the hexagonal c-plane strongly tended to align in the direction perpendicular to the uniaxial pressure. As a result of this crystal alignment, the electrical resistivity in the direction perpendicular to the uniaxial pressure became smaller than that of equivalent samples prepared with a constant uniaxial pressure. The smaller resistivity led to a larger power factor, and the figure of merit was improved by the application of cyclic uniaxial pressure.

  20. Integration of CdSe/CdSexTe1-x Type-II Heterojunction Nanorods into Hierarchically Porous TiO2 Electrode for Efficient Solar Energy Conversion

    NASA Astrophysics Data System (ADS)

    Lee, Sangheon; Flanagan, Joseph C.; Kang, Joonhyeon; Kim, Jinhyun; Shim, Moonsub; Park, Byungwoo

    2015-12-01

    Semiconductor sensitized solar cells, a promising candidate for next-generation photovoltaics, have seen notable progress using 0-D quantum dots as light harvesting materials. Integration of higher-dimensional nanostructures and their multi-composition variants into sensitized solar cells is, however, still not fully investigated despite their unique features potentially beneficial for improving performance. Herein, CdSe/CdSexTe1-x type-II heterojunction nanorods are utilized as novel light harvesters for sensitized solar cells for the first time. The CdSe/CdSexTe1-x heterojunction-nanorod sensitized solar cell exhibits ~33% improvement in the power conversion efficiency compared to its single-component counterpart, resulting from superior optoelectronic properties of the type-II heterostructure and 1-octanethiol ligands aiding facile electron extraction at the heterojunction nanorod-TiO2 interface. Additional ~32% enhancement in power conversion efficiency is achieved by introducing percolation channels of large pores in the mesoporous TiO2 electrode, which allow 1-D sensitizers to infiltrate the entire depth of electrode. These strategies combined together lead to 3.02% power conversion efficiency, which is one of the highest values among sensitized solar cells utilizing 1-D nanostructures as sensitizer materials.

  1. Photoluminescence of double core/shell infrared (CdSeTe)/ZnS quantum dots conjugated to Pseudo rabies virus antibodies

    NASA Astrophysics Data System (ADS)

    Torchynska, T. V.; Casas Espinola, J. L.; Jaramillo Gómez, J. A.; Douda, J.; Gazarian, K.

    2013-06-01

    Double core CdSeTe/ZnS quantum dots (QDs) with emission at 800 nm (1.60 eV) have been studied by photoluminescence (PL) and Raman scattering methods in the non-conjugated state and after the conjugation to the Pseudo rabies virus (PRV) antibodies. The transformation of PL spectra, stimulated by the electric charge of antibodies, has been detected for the bioconjugated QDs. Raman scattering spectra are investigated with the aim to reveal the CdSeTe core compositions. The double core QD energy diagrams were designed that help to analyze the PL spectra and their transformation at the bioconjugation. It is revealed that the interface in double core QDs has the type II quantum well character that permits to explain the near IR optical transition (1.60 eV) in the double core QDs. It is shown that the essential transformation of PL spectra is useful for the study of QD bioconjugation with specific antibodies and can be a powerful technique in early medical diagnostics.

  2. The role of stoichiometric vacancy periodicity in pressure-induced amorphization of the Ga{sub 2}SeTe{sub 2} semiconductor alloy

    SciTech Connect

    Abdul-Jabbar, N. M.; Kalkan, B.; MacDowell, A. A.; Huang, G.-Y.; Gronsky, R.; Bourret-Courchesne, E. D.; Wirth, B. D.

    2014-08-04

    We observe that pressure-induced amorphization of Ga{sub 2}SeTe{sub 2} (a III-VI semiconductor) is directly influenced by the periodicity of its intrinsic defect structures. Specimens with periodic and semi-periodic two-dimensional vacancy structures become amorphous around 10–11 GPa in contrast to those with aperiodic structures, which amorphize around 7–8 GPa. The result is an instance of altering material phase-change properties via rearrangement of stoichiometric vacancies as opposed to adjusting their concentrations. Based on our experimental findings, we posit that periodic two-dimensional vacancy structures in Ga{sub 2}SeTe{sub 2} provide an energetically preferred crystal lattice that is less prone to collapse under applied pressure. This is corroborated through first-principles electronic structure calculations, which demonstrate that the energy stability of III-VI structures under hydrostatic pressure is highly dependent on the configuration of intrinsic vacancies.

  3. Enhancement of transition temperature in Fe{sub x}Se{sub 0.5}Te{sub 0.5} film via iron vacancies

    SciTech Connect

    Zhuang, J. C.; Yeoh, W. K. E-mail: zxshi@seu.edu.cn; Cui, X. Y.; Ringer, S. P.; Kim, J. H.; Shi, D. Q.; Wang, X. L.; Dou, S. X.; Shi, Z. X. E-mail: zxshi@seu.edu.cn

    2014-06-30

    The effects of iron deficiency in Fe{sub x}Se{sub 0.5}Te{sub 0.5} thin films (0.8 ≤ x ≤ 1) on superconductivity and electronic properties have been studied. A significant enhancement of the superconducting transition temperature (T{sub C}) up to 21 K was observed in the most Fe deficient film (x = 0.8). Based on the observed and simulated structural variation results, there is a high possibility that Fe vacancies can be formed in the Fe{sub x}Se{sub 0.5}Te{sub 0.5} films. The enhancement of T{sub C} shows a strong relationship with the lattice strain effect induced by Fe vacancies. Importantly, the presence of Fe vacancies alters the charge carrier population by introducing electron charge carriers, with the Fe deficient film showing more metallic behavior than the defect-free film. Our study provides a means to enhance the superconductivity and tune the charge carriers via Fe vacancy, with no reliance on chemical doping.

  4. The half-metallic ferromagnetism character in Be1-xVxY (Y=Se and Te) alloys: An ab-initio study

    NASA Astrophysics Data System (ADS)

    Sajjad, M.; Manzoor, Sadia; Zhang, H. X.; Noor, N. A.; Alay-e-Abbas, S. M.; Shaukat, A.; Khenata, R.

    2015-04-01

    Ab-initio calculations for V-doped BeSe and BeTe semiconductors are performed by means of all-electrons full-potential linearized augmented plane wave plus local orbital (FP-LAPW+lo) method. The structural properties are optimized using the Wu-Cohen generalized gradient approximation functional, whereas modified Becke and Jhonson local density approximation functional has been employed for evaluating the spin-polarized electronic and magnetic properties. Magnetic stability at various doping concentrations in ferromagnetic (FM) and anti-ferromagnetic (AFM) ordering is investigated by comparing the minimum total energies and enthalpies of formation (ΔH). Studied band structures, density of states, total energy, exchange interactions and magnetic moments manifest both alloys with half-metallic ferromagnetic behavior. Moreover, their valance bands are found to be paired ferromagnetically with V atoms. Furthermore, it was observed that the magnetic moment of vanadium atom reduces from free space charge value due to p-d hybridization which yields small magnetic moments on the Be, Se and Te sites.

  5. Ultraviolet and visible range plasmonics in the topological insulator Bi1.5Sb0.5Te1.8Se1.2.

    PubMed

    Ou, Jun-Yu; So, Jin-Kyu; Adamo, Giorgio; Sulaev, Azat; Wang, Lan; Zheludev, Nikolay I

    2014-10-08

    The development of metamaterials, data processing circuits and sensors for the visible and ultraviolet parts of the spectrum is hampered by the lack of low-loss media supporting plasmonic excitations. This has driven the intense search for plasmonic materials beyond noble metals. Here we show that the semiconductor Bi1.5Sb0.5Te1.8Se1.2, also known as a topological insulator, is also a good plasmonic material in the blue-ultraviolet range, in addition to the already-investigated terahertz frequency range. Metamaterials fabricated from Bi1.5Sb0.5Te1.8Se1.2 show plasmonic resonances from 350 to 550 nm, while surface gratings exhibit cathodoluminescent peaks from 230 to 1,050 nm. The observed plasmonic response is attributed to the combination of bulk charge carriers from interband transitions and surface charge carriers of the topological insulator. The importance of our result is in the identification of new mechanisms of negative permittivity in semiconductors where visible range plasmonics can be directly integrated with electronics.

  6. The reactions of para-halo diaryl diselenides with halogens. A structural investigation of the CT compound (p-FC6H4)2Se2I2, and the first reported “RSeI3” compound, (p-ClC6H4)SeI·I2, which contains a covalent Se-I bond.

    PubMed

    Barnes, Nicholas A; Godfrey, Stephen M; Hughes, Jill; Khan, Rana Z; Mushtaq, Imrana; Ollerenshaw, Ruth T A; Pritchard, Robin G; Sarwar, Shamsa

    2013-02-28

    The reactions of the diaryl-diselenides (p-FC(6)H(4))(2)Se(2) and (p-ClC(6)H(4))(2)Se(2) with diiodine have been investigated. Species of stoichiometry "RSeI" are formed when the ratio employed is 1:1. The solid-state structure of "(p-FC(6)H(4))SeI" has been determined, and shown to be a charge-transfer (CT) adduct, (p-FC(6)H(4))(2)Se(2)I(2), where the Se-Se bond is retained and the diiodine molecule interacts with only one of the selenium atoms. The Se-I bond in (p-FC(6)H(4))(2)Se(2)I(2) is 2.9835(12) Å, which is typical for a (10-I-2) Se-I-I CT system. When diiodine is reacted in a 3:1 ratio with (p-XC(6)H(4))(2)Se(2) (X = F, Cl) species of stoichiometry "RSeI(3)" are formed. The structure of "(p-ClC(6)H(4))SeI(3)" reveals that this is not a selenium(IV) compound, but is better represented as a selenium(II) CT adduct, (p-ClC(6)H(4))SeI·I(2). The Se-I bond to the diiodine molecule is typical in magnitude for a CT adduct, Se-I: 2.8672(5) Å, whereas the other Se-I bond is much shorter, Se-I: 2.5590(6) Å, and is a genuine example of a rarely observed covalent Se-I bond, which appears to be stabilised by a weak Se···I interaction from a neighbouring iodine atom. The reaction of (p-ClC(6)H(4))SeI with Ph(3)P results in the formation of a CT adduct, Ph(3)PSe(p-ClC(6)H(4))I, which has a T-shaped geometry at selenium (10-Se-3). By contrast, the reaction of (p-FC(6)H(4))SeI with Ph(3)P does not form an adduct, but results in the formation of Ph(3)PI(2) and (p-FC(6)H(4))(2)Se(2).

  7. Extreme enrichment of Se, Te, PGE and Au in Cu sulfide microdroplets: evidence from LA-ICP-MS analysis of sulfides in the Skaergaard Intrusion, east Greenland

    NASA Astrophysics Data System (ADS)

    Holwell, David A.; Keays, Reid R.; McDonald, Iain; Williams, Megan R.

    2015-12-01

    The Platinova Reef, in the Skaergaard Intrusion, east Greenland, is an example of a magmatic Cu-PGE-Au sulfide deposit formed in the latter stages of magmatic differentiation. As is characteristic with such deposits, it contains a low volume of sulfide, displays peak metal offsets and is Cu rich but Ni poor. However, even for such deposits, the Platinova Reef contains extremely low volumes of sulfide and the highest Pd and Au tenor sulfides of any magmatic ore deposit. Here, we present the first LA-ICP-MS analyses of sulfide microdroplets from the Platinova Reef, which show that they have the highest Se concentrations (up to 1200 ppm) and lowest S/Se ratios (190-700) of any known magmatic sulfide deposit and have significant Te enrichment. In addition, where sulfide volume increases, there is a change from high Pd-tenor microdroplets trapped in situ to larger, low tenor sulfides. The transition between these two sulfide regimes is marked by sharp peaks in Au, and then Te concentration, followed by a wider peak in Se, which gradually decreases with height. Mineralogical evidence implies that there is no significant post-magmatic hydrothermal S loss and that the metal profiles are essentially a function of magmatic processes. We propose that to generate these extreme precious and semimetal contents, the sulfides must have formed from an anomalously metal-rich package of magma, possibly formed via the dissolution of a previously PGE-enriched sulfide. Other processes such as kinetic diffusion may have also occurred alongside this to produce the ultra-high tenors. The characteristic metal offset pattern observed is largely controlled by partitioning effects, producing offset peaks in the order Pt+Pd>Au>Te>Se>Cu that are entirely consistent with published D values. This study confirms that extreme enrichment in sulfide droplets can occur in closed-system layered intrusions in situ, but this will characteristically form ore deposits that are so low in sulfide that they do

  8. Cancer Cell Targeting Using Folic Acid/Anti-HER2 Antibody Conjugated Fluorescent CdSe/CdS/ZnS-Mercaptopropionic Acid and CdTe-Mercaptosuccinic Acid Quantum Dots.

    PubMed

    Singh, Gurpal; Kumar, Manoj; Soni, Udit; Arora, Vikas; Bansal, Vivek; Gupta, Dikshi; Bhat, Madhusudan; Dinda, Amit K; Sapra, Sameer; Singh, Harpal

    2016-01-01

    CdSe/CdS/ZnS and CdTe quantum dots (QDs) were synthesized by successive ion layer adsorption and reaction (SILAR) technique and direct aqueous synthesis respectively using thiol stabilizers. Synthesized CdSe/CdS/ZnS and CdTe QDs stabilized with 3-mercaptopropionic acid (MPA) and mercaptosuccinic acid (MSA) were used as fluorescent labels after conjugation with folic acid (FA) and anti-HER2 antibodies. Photoluminescence quantum yield of folated CdSe/CdS/ZnS-MPA and CdTe-MSA QDs was 59% and 77% than that of non-folated hydrophilic QDs. The folate receptor-mediated delivery of folic acid-conjugated CdTe-MSA and CdSe/CdS/ZnS-MPA QDs showed higher cellular internalization as observed by confocal laser scanning microscopic studies. Folated and non-folated CdTe-MSA QDs were highly toxic and exhibited only 10% cell viability as compared to > 80% cell viability with CdSe/CdS/ZnS-MPA QDs over the concentration ranging from 3.38 to 50 pmoles. Immunohistochemistry (IHC) results of human breast cancer tissue samples showed positive results with anti-HER2 antibody conjugated CdSe/CdS/ZnS-MPA QDs with better sensitivity and specificity as compared to conventional IHC analysis using diaminobenzedene staining. PMID:27398438

  9. From an Isolable Acyclic Phosphinosilylene Adduct to Donor-Stabilized Si=E Compounds (E=O, S, Se).

    PubMed

    Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Irran, Elisabeth; Driess, Matthias

    2015-12-21

    Reaction of the arylchlorosilylene-NHC adduct ArSi(NHC)Cl [Ar=2,6-Trip2C6H3; NHC=(MeC)2(NMe)2C:] 1 with one molar equiv of lithium diphenylphosphanide affords the first stable NHC-stabilized acyclic phosphinosilylene adduct 2 (ArSi(NHC)PPh2), which could be structurally characterized. Compound 2, when reacted with one molar equiv selenium and sulfur, affords the silanechalcogenones 4 a and 4 b (ArSi(NHC)(=E)PPh2, 4 a: E=Se, 4 b: E=S), respectively. Conversion of 2 with an excess of Se and S, through additional insertion of one chalcogen atom into the Si=P bond, leads to 3 a and 3 b (ArSi(NHC)(=E)-E-P(=E)Ph2, 3 a: E=Se, 3 b: E=S), respectively. Additionally, the exposure of 2 to N2O or CO2 yielded the isolable NHC-stabilized silanone 4 c, Ar(NHC)(Ph2P)Si=O. PMID:26592863

  10. Selenium bioaccessibility in stomach, small intestine and colon: Comparison between pure Se compounds, Se-enriched food crops and food supplements.

    PubMed

    Lavu, Rama V Srikanth; Van De Wiele, Tom; Pratti, Varalakshmi L; Tack, Filip; Du Laing, Gijs

    2016-04-15

    Selenium (Se) is an essential nutrient for humans as it plays an important role in glutathione peroxidase (GPx) activity. Moreover, it may reduce cancer risks. The objective of this work was to examine in vitro the bioaccessibility of Se in three different Se-enriched food supplements and two different Se-enriched food crops, with reference to two pure Se standards, and changes in its speciation during intestinal digestion. Selenate was found to be stable throughout the entire digestion, whereas incubation of selenomethionine resulted in the chemical and microbial production of minor metabolites. The bioaccessibility of Se in Se-enriched food supplements and food crops was found to be highest in the small intestine. Compared to SelenoPrecise and Se-ACE tablets, a yoghurt-based supplement exhibited a much lower Se bioaccessibility, possibly due to the presence of nano- or microparticles of elemental Se. Colon microbiota were found to primarily affect Se bioaccessibility in the colon environment, with the presence of inactivated microbiota resulting in a higher bioaccessibility. A higher potential of Se to reach the colon and become accessible in this phase may result in beneficial effects on the colon health.

  11. Theoretical investigation of the behavior of CuSe2O5 compound in high magnetic fields

    NASA Astrophysics Data System (ADS)

    Saghafi, Z.; Jahangiri, J.; Mahdavifar, S.; Hadipour, H.; Farjami Shayesteh, S.

    2016-01-01

    Based on the analytical and numerical approaches, we investigate thermodynamic properties of CuSe2O5 compound at high magnetic fields which is a candidate for the strong intra-chain interaction in quasi one-dimensional (1D) quantum magnets. Magnetic behavior of the system can be described by the 1D spin-1/2 XXZ model in the presence of the Dzyaloshinskii-Moriya (DM) interaction. Under these circumstances, there is one quantum critical field in this compound. Below the quantum critical field the spin chain system is in the gapless Luttinger liquid (LL) regime, whereas above it one observes a crossover to the gapped saturation magnetic phase. Indications on the thermodynamic curves confirm the occurrence of such a phase transition. The main characteristics of the LL phase are gapless and spin-spin correlation functions decay algebraic. The effects of zero-temperature quantum phase transition are observed even at rather high temperatures in comparison with the counterpart compounds. In addition, we calculate the Wilson ratio in the model. The Wilson ratio at a fixed temperature remains almost independent of the field in the LL region. In the vicinity of the quantum critical field, the Wilson ratio increases and exhibits anomalous enhancement.

  12. Magnetic and magnetotransport studies of iron-chalcogenide superconductor Fe(Se0.4Te0.6)0.82: observation of thermally activated transport and flux jump

    NASA Astrophysics Data System (ADS)

    Dutta, P.; Chattopadhyay, S.; Das, D.; Majumdar, S.; Chatterjee, S.

    2015-11-01

    The magnetic and magneto-transport behavior of the Fe-based superconductor of nominal composition Fe(Se0.4Te0.6)0.82 has been investigated. Different superconducting parameters such as critical fields, coherence length, penetration depth and the Ginzburg-Landau parameter (κ) have been estimated for the present compound. The large value of κ (˜253) is in line with the unconventional type-II nature of the studied superconductor. Thermally activated transport behavior in the presence of an external magnetic field across the superconducting transition region indicates a crossover from a single-vortex pinning regime to a collective flux creep regime at 50 kOe. The sample shows anomalous field dependence of flux flow resistance, which is presumably connected to the inherent superconducting state of the sample. The isothermal resistivity data as a function of external magnetic field show a signature of flux jump below the superconducting transition temperature (T c). The effect of hydrostatic pressure on the superconducting properties of the compound has also been investigated and about 3 K shift in T c has been observed with the application of 10 kbar of pressure.

  13. Investigation of scanning tunneling spectra on iron-based superconductor FeSe0.5Te0.5(in Chinese)

    DOE PAGES

    Du, Z. -Y.; Fang, D. -L.; Wang, Z. -Y.; Du, G.; Yang, X.; Yang, H.; Gu, G.; -H, Wen H.

    2015-05-05

    FeSe0.5Te0.5 single crystals with superconducting critical temperature of 13.5 K are investigated by scanning tunneling microscopy/spectroscopy (STM/STS) measureflents in detail. STM image on the top surface shows an atomically resolved square lattice consisted by white and dark spots with a constant of about 3.73± 0.03 Å which is consistent with the lattice constant 3.78 Å. The Se and Te atoms with a height difference of about 0.35 Å are successfully identified since the sizes of the two kinds of atoms are different. The tunneling spectra show very large zero-bias conductance value and asymmetric coherent peaks in the superconducting state. Accordingmore » to the positions of coherence peaks, we determine the superconducting gap 2Δ = 5.5 meV, and the reduced gap 2Δ/kBTc = 4.9 is larger than the value predicted by the weak-coupling BCS theory. The zero-bias conductance at 1.7 K only have a decrease of about 40% compared with the normal state conductance, which may originate from some scattering and broadening mechanism in the material. This broadening effect will also make the superconducting gap determined by the distance between the coherence peaks larger than the exact gap value. The asymmetric structure of the tunneling spectra near the superconducting gap is induced by the hump on the background. This hump appears at temperature more than twice the superconducting critical temperature. This kind of hump has also been observed in other iron pnictides and needs further investigation. A possible bosonic mode outside the coherence peak with a mode energy Ω of about 5.5 meV is observed in some tunneling spectra, and the ratio between the mode energy and superconducting transition temperature Ω/kBTc ≈ 4.7 is roughly consistent with the universal ratio 4.3 in iron-based superconductors. The high-energy background of the spectra beyond the superconducting gaps shows a V-shape feature. The slopes of the differential conductance spectra at high energy are

  14. Investigation of scanning tunneling spectra on iron-based superconductor FeSe0.5Te0.5

    SciTech Connect

    Du, Z. -Y.; Fang, D. -L.; Wang, Z. -Y.; Du, G.; Yang, X.; Yang, H.; Gu, G.; -H, Wen H.

    2015-05-05

    FeSe0.5Te0.5 single crystals with superconducting critical temperature of 13.5 K are investigated by scanning tunneling microscopy/spectroscopy (STM/STS) measureflents in detail. STM image on the top surface shows an atomically resolved square lattice consisted by white and dark spots with a constant of about 3.73± 0.03 Å which is consistent with the lattice constant 3.78 Å. The Se and Te atoms with a height difference of about 0.35 Å are successfully identified since the sizes of the two kinds of atoms are different. The tunneling spectra show very large zero-bias conductance value and asymmetric coherent peaks in the superconducting state. According to the positions of coherence peaks, we determine the superconducting gap 2Δ = 5.5 meV, and the reduced gap 2Δ/kBTc = 4.9 is larger than the value predicted by the weak-coupling BCS theory. The zero-bias conductance at 1.7 K only have a decrease of about 40% compared with the normal state conductance, which may originate from some scattering and broadening mechanism in the material. This broadening effect will also make the superconducting gap determined by the distance between the coherence peaks larger than the exact gap value. The asymmetric structure of the tunneling spectra near the superconducting gap is induced by the hump on the background. This hump appears at temperature more than twice the superconducting critical temperature. This kind of hump has also been observed in other iron pnictides and needs further investigation. A possible bosonic mode outside the coherence peak with a mode energy Ω of about 5.5 meV is observed in some tunneling spectra, and the ratio between the mode energy and superconducting transition temperature Ω/kBTc ≈ 4.7 is roughly consistent with the universal ratio 4.3 in iron-based superconductors. The high-energy background of the spectra beyond the superconducting gaps shows a V-shape feature. The slopes of the differential conductance spectra at high

  15. Orbital processing of high-quality CdTe compound semiconductors

    NASA Technical Reports Server (NTRS)

    Larson, David J., Jr.; Alexander, J. I. D.; Gillies, D.; Carlson, F. M.; Wu, J.; Black, D.

    1994-01-01

    CdZnTe crystals were grown in one-g and in micro-g for comparative analysis. The two micro-g crystals were grown in the Crystal Growth Furnace during the First United States Microgravity Laboratory mission (USML-1). The samples were analyzed for chemical homogeneity, structural perfection, and optoelectronic performance (infrared transmission). Fourier Transform Infrared (FTIR) transmission of both ground and flight materials showed that the infrared transmission was close to theoretical, 63% versus 66%, suggesting that the material was close to the stochiometric composition during both the ground and flight experiments. Infrared microscopy confirmed that the principal precipitates were Te and their size (1-10 microns) and density suggested that the primary flight and ground base samples experienced similar cooling rates. Macrosegregation was predicted, using scaling analysis, to be low even in one-g crystals and this was confirmed experimentally, with nearly diffusion controlled growth achieved even in the partial mixing regime on the ground. Radial segregation was monitored in the flight samples and was found to vary with fraction solidified, but was disturbed due to the asymmetric grvitational and thermal fields experienced by the flight samples. The flight samples, however, were found to be much higher in structural perfection than the ground samples produced in the same furnace under identical growth conditions except for the gravitational level. Rocking curve widths were found to be substantially reduced, from 20/35 (one-g) to 9/20 (micro-g) for the best regions of the crystals. The full width at half maximum (FWHM) of 9 arc seconds is as good as the best reported terrestrially for this material. The ground samples were found to have a fully developed mosaic structure consisting of subgrains, whereas the flight sample dislocations were discrete and no mosaic substructure was evident. The defect density was reduced from 50-100,000 (one-g) to 500-25000 EPD

  16. Mechanical and thermal properties of h-MX{sub 2} (M = Cr, Mo, W; X = O, S, Se, Te) monolayers: A comparative study

    SciTech Connect

    Çakır, Deniz Peeters, François M.; Sevik, Cem

    2014-05-19

    Using density functional theory, we obtain the mechanical and thermal properties of MX{sub 2} monolayers (where M = Cr, Mo, W and X = O, S, Se, Te). The Γ-centered phonon frequencies (i.e., A{sub 1}, A{sub 2}{sup ″}, E′, and E″), relative frequency values of A{sub 1}, and E′ modes, and mechanical properties (i.e., elastic constants, Young modulus, and Poisson's ratio) display a strong dependence on the type of metal and chalcogenide atoms. In each chalcogenide (metal) group, transition-metal dichalcogenides (TMDCs) with W (O) atom are found to be much stiffer. Consistent with their stability, the thermal expansion of lattice constants for TMDCs with O (Te) is much slower (faster). Furthermore, in a heterostructure of these materials, the difference of the thermal expansion of lattice constants between the individual components becomes quite tiny over the whole temperature range. The calculated mechanical and thermal properties show that TMDCs are promising materials for heterostructures.

  17. Critical thickness and strain relaxation in high-misfit heteroepitaxial systems: PbTe1-xSex on PbSe (001)

    NASA Astrophysics Data System (ADS)

    Wiesauer, Karin; Springholz, G.

    2004-06-01

    Strain relaxation and misfit dislocation formation is investigated for the high-misfit PbTe1-xSex/PbSe (001) heteroepitaxial system in which the lattice mismatch varies from 0% to 5.5%. Because a two-dimensional (2D) layer growth prevails for all PbTe1-xSex ternary compositions, the lattice mismatch is relaxed purely by misfit dislocations. In addition, it is found that strain relaxation is not hindered by dislocation kinetics. Therefore, this material combination is an ideal model system for testing the equilibrium Frank van der Merwe and Matthews Blakeslee strain relaxation models. In our experiments, we find significantly lower values of the critical layer thickness as compared to the model predictions. This discrepancy is caused by the inappropriate description of the dislocation self-energies when the layer thickness becomes comparable to the dislocation core radius. To resolve this problem, a modified expression for the dislocation self-energy is proposed. The resulting theoretical critical thicknesses are in excellent agreement with the experimental data. In addition, a remarkable universal scaling behavior is found for the strain relaxation data. This underlines the breakdown of the current strain relaxation models.

  18. Experimental detection of a Majorana mode in the core of a magnetic vortex inside a topological insulator-superconductor Bi(2)Te(3)/NbSe(2) heterostructure.

    PubMed

    Xu, Jin-Peng; Wang, Mei-Xiao; Liu, Zhi Long; Ge, Jian-Feng; Yang, Xiaojun; Liu, Canhua; Xu, Zhu An; Guan, Dandan; Gao, Chun Lei; Qian, Dong; Liu, Ying; Wang, Qiang-Hua; Zhang, Fu-Chun; Xue, Qi-Kun; Jia, Jin-Feng

    2015-01-01

    Majorana fermions have been intensively studied in recent years for their importance to both fundamental science and potential applications in topological quantum computing. They are predicted to exist in a vortex core of superconducting topological insulators. However, it is extremely difficult to distinguish them experimentally from other quasiparticle states for the tiny energy difference between Majorana fermions and these states, which is beyond the energy resolution of most available techniques. Here, we circumvent the problem by systematically investigating the spatial profile of the Majorana mode and the bound quasiparticle states within a vortex in Bi(2)Te(3) films grown on a superconductor NbSe(2). While the zero bias peak in local conductance splits right off the vortex center in conventional superconductors, it splits off at a finite distance ∼20  nm away from the vortex center in Bi(2)Te(3). This unusual splitting behavior has never been observed before and could be possibly due to the Majorana fermion zero mode. While the Majorana mode is destroyed by the interaction between vortices, the zero bias peak splits as a conventional superconductor again. This work provides self-consistent evidences of Majorana fermions and also suggests a possible route to manipulating them.

  19. In situ electron microscope study of the phase transformation, structure and growth of thin Te 1- xSe x films

    NASA Astrophysics Data System (ADS)

    Vermaak, J. S.; Raubenheimer, D.

    1990-01-01

    An in-situ electron microscope technique was utilized to observe directly the amorphous-to-crystalline phase transformation, the isothermal growth rates, as well as the orientation and structure of the recrystallized films for the Te 1-xSe x alloy system for x=0.2, 0.3 and 0.4. Activation energies of E=0.91, 0.93 and 0.96 eV and crystallization temperatures of Tc=-14, 81.5 and 85°C for the three alloys, respectively, were found. In all three cases the crystallization process originated from single crystalline nuclei with a hexagonal structure and with the c-axis in general parallel to the substrate surface.

  20. Upper critical field and Kondo effects in Fe(Te0.9Se0.1) thin films by pulsed field measurements

    DOE PAGES

    Salamon, Myron B.; Cornell, Nicholas; Jaime, Marcelo; Balakirev, Fedor F.; Zakhidov, Anvar; Huang, Jijie; Wang, Haiyan

    2016-02-10

    The transition temperatures of epitaxial films of Fe(Te0:9Se0:1) are remarkably insensitive to applied magnetic field, leading to predictions of upper critical fields Bc2(T = 0) in excess of 100 T. Using pulsed magnetic fields, we find Bc2(0) to be on the order of 45 T, similar to values in bulk material and still in excess of the paramagnetic limit. The same films show strong magnetoresistance in fields above Bc2(T), consistent with the observed Kondo minimum seen above Tc. Fits to the temperature dependence in the context of the WHH model, using the experimental value of the Maki parameter, require anmore » effective spin-orbit relaxation parameter of order unity. Lastly, we suggest that Kondo localization plays a similar role to spin-orbit pair breaking in making WHH fits to the data.« less

  1. Surface Collective Modes in the Topological Insulators Bi2 Se3 and Bi0.5 Sb1.5 Te3 -xSex

    NASA Astrophysics Data System (ADS)

    Kogar, A.; Vig, S.; Thaler, A.; Wong, M. H.; Xiao, Y.; Reig-i-Plessis, D.; Cho, G. Y.; Valla, T.; Pan, Z.; Schneeloch, J.; Zhong, R.; Gu, G. D.; Hughes, T. L.; MacDougall, G. J.; Chiang, T.-C.; Abbamonte, P.

    2015-12-01

    We used low-energy, momentum-resolved inelastic electron scattering to study surface collective modes of the three-dimensional topological insulators Bi2 Se3 and Bi0.5 Sb1.5 Te3 -xSex . Our goal was to identify the "spin plasmon" predicted by Raghu and co-workers [Phys. Rev. Lett. 104, 116401 (2010)]. Instead, we found that the primary collective mode is a surface plasmon arising from the bulk, free carriers in these materials. This excitation dominates the spectral weight in the bosonic function of the surface χ"(q ,ω ) at THz energy scales, and is the most likely origin of a quasiparticle dispersion kink observed in previous photoemission experiments. Our study suggests that the spin plasmon may mix with this other surface mode, calling for a more nuanced understanding of optical experiments in which the spin plasmon is reported to play a role.

  2. Temperature and field dependence of the flux pinning mechanisms in Fe1.06Te0.6Se0.4 single crystal

    NASA Astrophysics Data System (ADS)

    Hossaini, S. J.; Ghorbani, S. R.; Arabi, H.; Wang, X. L.; Lin, C. T.

    2016-11-01

    The temperature and magnetic field dependence of the magnetization and critical current density of Fe1.06 Te0.6 Se0.4 single crystal have been investigated, and the flux pinning mechanism has been analyzed. The critical current density results indicate that there are different pinning mechanisms in this crystal. The pinning mechanisms are studied in terms of the pinning model where the normalized volume pinning force, fp, versus h = H /Hirr , where Hirr is the irreversibility, were studied systematically. It was found that a variety of pinning mechanisms including normal point pinning, normal surface pinning, and pinning based on spatial variation in the Ginzburg-Landau parameter (Δk pinning) pinning mechanisms coexist. The effects each of the different pinning mechanisms were obtained. The results show that the contributions of the real pinning mechanisms are dependent on the temperature and magnetic field in this the single crystal.

  3. Heat Capacity And Structural Relaxation In Se{sub 80-x}Te{sub 20}Ag{sub x}(x = 3 and 9) Glassy Alloys

    SciTech Connect

    Naqvi, S. Faheem; Saxena, N. S.

    2011-10-20

    This paper reports the effects of annealing time and temperature on the thermodynamics of enthalpy relaxation of Se{sub 80-x}Te{sub 20}Ag{sub x} (x = 3,9) glasses. Differential Scanning Calorimetry (DSC) method is optimized for the measurement of enthalpy relaxation in the vicinity of glass transition. The recovery of excess enthalpy ({Delta}H{sub excess}) has been calculated from the knowledge of excess specific heat ({Delta}C{sub p}). It is found that excess enthalpy released ({Delta}H{sub excess}) increase with increase in annealing time (t{sub a}). From the knowledge of excess specific heat ({Delta}C{sub p}) and {Delta}H{sub excess}, it has been found that sub-T{sub g} annealing of glass leads to decrease in enthalpy of the system and thereby taking it to the more equilibrium state.

  4. The flux pinning mechanism, and electrical and magnetic anisotropy in Fe1.04Te0.6Se0.4 superconducting single crystal

    NASA Astrophysics Data System (ADS)

    Shahbazi, M.; Wang, X. L.; Dou, S. X.; Fang, H.; Lin, C. T.

    2013-05-01

    The temperature and magnetic field dependences of the magnetization and critical current density of Fe1.04Te0.6Se0.4 single crystals have been investigated, and the flux pinning mechanism has been analysed. The normalized pinning force (fp = Fp/Fp,max) vs. h(H/Hirr) curves, are scaled using the Dew-Hughes' theory, f(h) ≈ hp(1 - h)q with p = 1.35 and q = 3.06. The angular dependence of the resistivity under different magnetic fields shows a dip-like structure, below the superconducting transition temperature. The anisotropic value of 2 was obtained using Ginzburg-Landau theory.

  5. Dispersion of the refractive index of a samarium-doped Se{sup 95}Te{sup 5} chalcogenide glassy semiconductor

    SciTech Connect

    Atayeva, S. U. Mekhtiyeva, S. I.; Isayev, A. I.

    2015-07-15

    The transmission spectrum of a Se{sup 95}Te{sup 5} chalcogenide glassy semiconductor doped with samarium (0.05, 0.1, 0.25, 0.5, and 1 at %) is studied; the Swanepoel method and the single-oscillator model are used to determine the oscillator energy E{sup 0}, dispersion energy E{sup d}, optical width of the band gap E{sup g}, and linear (n) and nonlinear (n{sup 2}) refractive indices. The changes in the values of these parameters as a result of doping are attributed to modification of the local structure and to a change in the concentration of defect states.

  6. Influences of S, Se, Te and Po substitutions on structural, electronic and optical properties of hexagonal CuAlO2 using GGA and B3LYP functionals.

    PubMed

    Liu, Qi-Jun; Jiao, Zhen; Liu, Fu-Sheng; Liu, Zheng-Tang

    2016-06-01

    The effects of X-doping (X = S, Se, Te and Po) on the structural, electronic and optical properties of hexagonal CuAlO2 were studied using first-principles density functional theory. The calculated results showed the obtained lattice constants to increase with increasing atomic number, and the X-doping to be energetically more favorable under Al-rich conditions. The calculated electronic properties showed decreased bandgaps with increasing atomic number, which was due to the better covalent hybridizations after sulfuration doping. The enhanced covalency was further confirmed by calculating the Mulliken atomic populations and bond populations. The density of states indicated the increase of the contribution to antibonding from the X-p states to be a benefit for p-type conductivity. Moreover, the X-doping induced a red shift of the absorption edge. PMID:27168530

  7. Point defects in CdTexSe1-x crystals grown from a Te-rich solution for applications in detecting radiation

    DOE PAGES

    Gul, R.; Roy, U. N.; Bolotnikov, A. E.; Camarda, G. S.; Cui, Y.; Hossain, A.; Lee, W.; Yang, G.; Burger, A.; James, R. B.; et al

    2015-04-15

    We investigated cadmium telluride selenide (CdTeSe) crystals, newly grown by the Traveling Heater Method (THM), for the presence and abundance of point defects. Deep Level Transient spectroscopy (I-DLTS) was used to determine the energies of the traps, their capture cross sections, and densities. The bias across the detectors was varied from (1–30) V. Four types of point defects were identified, ranging from 10 meV to 0.35 eV. Two dominant traps at energies of 0.18 eV and 0.14 eV were studied in depth. Cd vacancies are found at lower concentrations than other point defects present in the material.

  8. Two-dimensional universal conductance fluctuations and the electron-phonon interaction of surface states in Bi2Te2Se microflakes

    PubMed Central

    Li, Zhaoguo; Chen, Taishi; Pan, Haiyang; Song, Fengqi; Wang, Baigeng; Han, Junhao; Qin, Yuyuan; Wang, Xuefeng; Zhang, Rong; Wan, Jianguo; Xing, Dingyu; Wang, Guanghou

    2012-01-01

    The universal conductance fluctuations (UCFs), one of the most important manifestations of mesoscopic electronic interference, have not yet been demonstrated for the two-dimensional surface state of topological insulators (TIs). Even if one delicately suppresses the bulk conductance by improving the quality of TI crystals, the fluctuation of the bulk conductance still keeps competitive and difficult to be separated from the desired UCFs of surface carriers. Here we report on the experimental evidence of the UCFs of the two-dimensional surface state in the bulk insulating Bi2Te2Se microflakes. The solely-B⊥-dependent UCF is achieved and its temperature dependence is investigated. The surface transport is further revealed by weak antilocalizations. Such survived UCFs of the surface states result from the limited dephasing length of the bulk carriers in ternary crystals. The electron-phonon interaction is addressed as a secondary source of the surface state dephasing based on the temperature-dependent scaling behavior. PMID:22916331

  9. Coupling of spin and orbital excitations in the iron-based superconductor FeSe0.5Te0.5

    SciTech Connect

    Lee, S.-H.; Xu, Guangyong; Ku, Wei; Wen, J.S.; Lee, C.C.; Katayama, N.; Xu, Z.J.; Ji, S.; Lin, Z.W.; Gu, G.D.; Yang, H.-B.; Johnson, Peter D.; Pan, Z.-H.; Valla, Tonica; Fujita, M.; Sato, T.J.; Chang, S.; Yamada, K.; Tranquada, John M.

    2010-06-14

    We present a combined analysis of neutron scattering and photoemission measurements on superconducting FeSe{sub 0.5} Te{sub 0.5} . The low-energy magnetic excitations disperse only in the direction transverse to the characteristic wave vector (1/2 ,0,0) whereas the electronic Fermi surface near (1/2 ,0,0) appears to consist of four incommensurate pockets. While the spin resonance occurs at an incommensurate wave vector compatible with nesting, neither spin-wave nor Fermi-surface-nesting models can describe the magnetic dispersion. We propose that a coupling of spin and orbital correlations is key to explaining this behavior. If correct, it follows that these nematic fluctuations are involved in the resonance and could be relevant to the pairing mechanism.

  10. Coupling of Spin and Orbital Excitations in the Iron-based Superconductor FeSe0.5Te0.5

    SciTech Connect

    Lee, S.H.; Xu, G.; Ku, W.; Wen, J.S.; Lee, C.C.: Katayama, N.; Xu, Z.J.; Ji, S.; Lin, Z.W.; Gu, G. D.; Yang, H.-B.; Johnson, P.D.; Pan, Z.-H.; Valla, T.; Fujita, M.; Sato, T.J.; Chang, S.; Yamada, K.; Tranquada, J.M.

    2010-06-14

    We present a combined analysis of neutron scattering and photoemission measurements on superconducting FeSe{sub 0.5}Te{sub 0.5}. The low-energy magnetic excitations disperse only in the direction transverse to the characteristic wave vector (1/2,0,0) whereas the electronic Fermi surface near (1/2,0,0) appears to consist of four incommensurate pockets. While the spin resonance occurs at an incommensurate wave vector compatible with nesting, neither spin-wave nor Fermi-surface-nesting models can describe the magnetic dispersion. We propose that a coupling of spin and orbital correlations is key to explaining this behavior. If correct, it follows that these nematic fluctuations are involved in the resonance and could be relevant to the pairing mechanism.

  11. Experimental observation on a temperature-induced decoupling between the surface states in topological insulator nanoplates Bi2-0.15(TeSe)3+0.15

    NASA Astrophysics Data System (ADS)

    Lu, Haoran; Zhang, Kang; Pan, Haiyang; Zeng, Junwen; Chen, Taishi; Song, Fengqi; Wang, Xuefeng; Miao, Feng; Zhang, Rong

    2016-04-01

    We report on the temperature-induced quantum decoupling between the surface states, demonstrated by weak antilocalization measurements, in the topological insulator Bi2-0.15(TeSe)3+0.15 nanoplates. The samples are prepared by a catalyst-free vapor-solid process with the dimension of 10 μm and the thickness of 20 nm. The channel indicator is extracted from the weak antilocalization, which presents a transition from 0.5 to 1 with the increasing temperature. This reveals the coherent decoupling between the two surface states, during which the dephasing length reaches the plate thickness. A bulk-mediated intersurface coupling model interprets the transition.

  12. Research Update: Point defects in CdTe{sub x}Se{sub 1−x} crystals grown from a Te-rich solution for applications in detecting radiation

    SciTech Connect

    Gul, R.; Roy, U. N.; Bolotnikov, A. E.; Camarda, G. S.; Cui, Y.; Hossain, A.; Yang, G.; James, R. B.; Lee, W.; Cui, Y.; Burger, A.

    2015-04-01

    We investigated cadmium telluride selenide (CdTeSe) crystals, newly grown by the Traveling Heater Method (THM), for the presence and abundance of point defects. Current Deep Level Transient spectroscopy (I-DLTS) was used to determine the energies of the traps, their capture cross sections, and densities. The bias across the detectors was varied from 1 to 30 V. Four types of point defects were identified, ranging from 10 meV to 0.35 eV. Two dominant traps at energies of 0.18 eV and 0.14 eV were studied in depth. Cd vacancies are found at lower concentrations than other point defects present in the material.

  13. Ab initio studies of structural, electronic, optical, elastic and thermal properties of silver gallium dichalcogenides (AgGaX{sub 2}: X = S, Se, Te)

    SciTech Connect

    Sharma, Sheetal; Verma, A.S.; Jindal, V.K.

    2014-05-01

    Graphical abstract: - Highlights: • FP-LAPW method has been used to compute the solid state properties of AgGaX{sub 2} (X = S, Se, Te). • Electronic and optical properties reported with recently developed mBJ potential. • Thermal expansion, heat capacity, Debye temperature, entropy and Grüneisen parameter were evaluated. • Hardness was calculated for the first time at different temperature and pressure. - Abstract: We have performed ab initio calculations for the structural, electronic, optical, elastic and thermal properties of the silver gallium dichalcogenides (AgGaX{sub 2}: X = S, Se, Te). In this study, we have used the accurate full potential linearized augmented plane wave (FP-LAPW) method to find the equilibrium structural parameters and to compute the six elastic constants (C{sub 11}, C{sub 12}, C{sub 13}, C{sub 33}, C{sub 44} and C{sub 66}). We have reported electronic and optical properties with the recently developed density functional theory of Tran and Blaha, and this theory is used along with the Wu-Cohen generalized gradient approximation (WC-GGA) for the exchange-correlation potential. Furthermore, optical features such as dielectric functions, refractive indices, extinction coefficient, optical reflectivity, absorption coefficients and optical conductivities were calculated for photon energies up to 40 eV. The thermodynamical properties such as thermal expansion, heat capacity, debye temperature, entropy, Grüneisen parameter and bulk modulus were calculated employing the quasi-harmonic Debye model at different temperatures (0–900 K) and pressures (0–8 GPa) and the silent results were interpreted. Hardness of the materials was calculated for the first time at different temperatures and pressures.

  14. Effect of chemical ordering on the crystallization behavior of Se90Te10-xSnx (x=2, 4, 6, and 8) chalcogenide glasses

    NASA Astrophysics Data System (ADS)

    Lafi, Omar A.; Imran, Mousa M. A.; Abu-Shaweesh, Nazem I.; Al-Kurdi, Fares M.; Khatatbeh, Ibtehaj K.

    2014-06-01

    Ternary Se90Te10-xSnx (x=2, 4, 6, and 8) chalcogenide glassy alloys have been prepared by melt quenching technique. Various crystallization parameters, such as onset (Tc) and peak (Tp) crystallization temperatures, activation energy of crystallization (Ec) and Avrami exponent (n) have been determined for these alloys. Tc and Tp have been determined directly from the non-isothermal differential scanning calorimeter (DSC) thermograms. The value of Ec has been calculated from the variation of both Tc and Tp with the heating rate (β) according to Kissinger, Takhor, Augis-Bennett and Ozawa models while Augis-Bennett method has been used to deduce the value of n for the studied samples. The obtained values of the crystallization parameters have been correlated with the character and the energy of the chemical bonds through the calculation of the heteronuclear bond energies of the constituent atoms using Pauling principle. In addition to that, Tichy-Ticha model was used to estimate the mean bond energy of the average cross-linking per atom , the average bond energy per atom of the remaining matrix , and the overall mean bond energy of the studied glasses. Results reveal that both of Tc and Tp decreases with increases Sn content. This is may be attributed to the decreasing in the overall mean bond energy . Besides, the plot of Ec (and also Tg) against was found to be non linear, which contradicts the well known linear correlation between Ec and Tg with as suggested by Tichy-Ticha model. This discrepancy may be due to the fact that the Tichy-Ticha linear correlation model was based on the assumption of covalent glassy network, while in the present glassy alloys, Se-Te binary doped with heavy elements such as Sn exhibit iono-covalent bonding. The calculated values of the ionicity are in support of this argument.

  15. The effects of melt depletion and metasomatism on highly siderophile and strongly chalcophile elements: S-Se-Te-Re-PGE systematics of peridotite xenoliths from Kilbourne Hole, New Mexico

    NASA Astrophysics Data System (ADS)

    Harvey, Jason; König, Stephan; Luguet, Ambre

    2015-10-01

    The composition of the Earth's upper mantle is a function of melt depletion and subsequent metasomatism; the latter obscuring many of the key characteristics of the former, and potentially making predictions of Primitive Upper Mantle (PUM) composition problematic. To date, estimates of PUM abundances of highly siderophile element (HSE = platinum group elements (PGE) and Re) and the strongly chalcophile elements Se and Te, have been the subject of less scrutiny than the lithophile elements. Critically, estimates of HSE and strongly chalcophile element abundances in PUM may have been derived by including a large number of metasomatized and refertilized samples whose HSE and chalcophile element abundances may not be representative of melt depletion alone. Unravelling the effects of metasomatism on the S-Se-Te-HSE abundances in peridotite xenoliths from Kilbourne Hole, New Mexico, USA, potentially provides valuable insights into the abundances of HSE and strongly chalcophile element abundances in PUM. Superimposed upon the effects of melt depletion is the addition of metasomatic sulfide in approximately half of the xenoliths from this study, while the remaining half have lost sulfide to a late S-undersaturated melt. Despite these observations, the Kilbourne Hole peridotite xenoliths have HSE systematics that are, in general, indistinguishable from orogenic peridotites and peridotite xenoliths used for determination of PUM HSE abundances. This study represents the first instance where Se-Te-HSE systematics in peridotite xenoliths are scrutinized in detail in order to test their usefulness for PUM estimates. Despite earlier studies attesting to the relative immobility of Se during supergene weathering, low S, Se, Os and Se/Te in peridotite xenoliths suggests that Se may be more mobile than originally thought, and for this reason, peridotite xenoliths may not be suitable for making predictions of the abundance of these elements in PUM. Removal of Se, in turn, lowers the

  16. Local potential fluctuation of topological surface states in Bi1.5Sb0.5Te1.7Se1.3 observed by Landau level spectroscopy

    NASA Astrophysics Data System (ADS)

    Ko, Wonhee; Park, Joonbum; Jeon, Insu; Kim, Hyo Won; Kwon, Hyeokshin; Oh, Youngtek; Kim, Jun Sung; Suh, Hwansoo; Hwang, Sung Woo; Chung, Chilhee

    2016-02-01

    We report the local observation of the band structure of topological surface states in Bi1.5Sb0.5Te1.7Se1.3 using scanning tunneling microscopy/spectroscopy (STM/STS). The energy-momentum dispersion relation is locally deduced by extracting the Landau level (LL) energies, which are formed in a high magnetic field, from the STS data. Spatial variation of LLs revealed a shift of the Dirac point energy at the nanometer scale. The structure of the potential fluctuation was not correlated with the topography, which indicated that the Te/Se substitution did not induce the potential shift because of their same valence. The results show that disorders from the Te/Se substitution at the surface do not induce any localized charged states and do not affect topological surface states.

  17. Two isostructural layered oxohalide compounds containing Mn{sup 2+}, Te{sup 4+} and Si{sup 4+}; crystal structure and magnetic susceptibility

    SciTech Connect

    Zimmermann, Iwan; Kremer, Reinhard K.; Johnsson, Mats

    2014-10-15

    The new compounds Mn{sub 4}(TeO{sub 3})(SiO{sub 4})X{sub 2} (X=Br, Cl) were synthesized by solid state reactions in sealed evacuated silica tubes. The compounds crystallize in the monoclinic space group P2{sub 1}/m with the unit cell parameters a=5.5463(3) Å (5.49434(7) Å), b=6.4893(4) Å (6.44184(9) Å), c=12.8709(7) Å (12.60451(18) Å), β=93.559(5)° (94.1590(12)°) and Z=2 for the respective Br and Cl analogues. Manganese adopts various distorted coordination polyhedra; [MnO{sub 6}] octahedra, [MnO{sub 5}] tetragonal pyramids and [MnO{sub 2}X{sub 2}] tetrahedra. Other building blocks are [SiO{sub 4}] tetrahedra and [TeO{sub 3}] trigonal pyramids. The structure is made up from layers having no net charge that are connected via weak Van der Waal interactions. The layers that are parallel to (1 1 0) consist of two manganese oxide sheets which are separated by [SiO{sub 4}] tetrahedra. On the outer sides of the sheets are the [MnO{sub 2}X{sub 2}] tetrahedra and the [TeO{sub 3}] trigonal pyramids connected so that the halide ions and the stereochemically active lone pairs on the tellurium atoms protrude from the layers. Magnetic susceptibility measurements reveal a Curie law with a Weiss temperature of θ=−153(3) K for temperatures ≥100 K and indicate antiferromagnetic ordering at T{sub N} ∼4 K. Possible structural origins of the large frustration parameter of f=38 are discussed. - Graphical abstract: Table of contents caption. The new compounds Mn{sub 4}(TeO{sub 3})(SiO{sub 4})X{sub 2} (X=Br, Cl) are layered with weak Van der Waal interactions in between the layers. Manganese adopts various distorted coordination polyhedral, other building blocks are [SiO{sub 4}] tetrahedra and [TeO{sub 3}] trigonal pyramids. Magnetic susceptibility measurements indicate antiferromagnetic ordering at low temperatures and a large frustration parameter. - Highlights: • Two new isostructural oxohalide compounds are described. • The compounds are the first examples of

  18. Reducing Lattice Thermal Conductivity of the Thermoelectric Compound AgSbTe2 (P4/mmm) by Lanthanum Substitution: Computational and Experimental Approaches

    NASA Astrophysics Data System (ADS)

    Amouyal, Yaron

    2014-10-01

    In this study we performed lattice dynamics first-principles calculations for the promising thermoelectric (TE) compound AgSbTe2, and estimated the stability of its three polymorphs over a wide temperature range from 0 to 600 K. We calculated the vibrational density of states of the AgSbTe2 (P4/mmm) phase. The results suggested that formation of substitutional defects at Ag-sublattice sites impedes lattice vibrations, thereby reducing lattice thermal conductivity. We focused on calculations based on the Debye approximation for the compound La0.125Ag0.875SbTe2, and predicted reduction of the average sound velocity from 1684 to 1563 m s-1 as a result of La doping. This is manifested as a ca. 14% reduction in thermal conductivity. To confirm the results from computation we produced two Ag-Sb-Te-based alloys, a ternary alloy without La addition and a quaternary alloy containing La. We measured the thermal conductivity of both alloys by use of the laser flash analysis method, and, as a result of La alloying, observed a reduction in thermal conductivity from 0.92 to 0.71 W m-1 K-1 at 573 K, as calculated from first principles.

  19. Properties of Type-II ZnTe/ZnSe Submonolayer Quantum Dots Studied via Excitonic Aharonov- Bohm Effect and Polarized Optical Spectroscopy

    NASA Astrophysics Data System (ADS)

    Ji, Haojie

    In this thesis I develop understanding of the fundamental physical and material properties of type-II ZnTe/ZnSe submonolayer quantum dots (QDs), grown via combination of molecular beam epitaxy (MBE) and migration enhanced epitaxy (MEE). I use magneto-photoluminescence, including excitonic Aharonov-Bohm (AB) effect and polarized optical spectroscopy as the primary tools in this work. I present previous studies as well as the background of optical and magneto-optical processes in semiconductor nanostructures and introduce the experimental methods in Chapters 1 - 3. In Chapter 4 I focus on the excitonic AB effect in the type-II QDs. I develop a lateral tightly-bound exciton model for ZnTe/ZnSe type-II QDs, using analytical methods and numerical calculations. This explained the magneto-PL observation and allowed for establishing the size and density of the QDs in each sample based on the results of PL and magneto-PL measurements. For samples with larger QDs, I observe behaviors that fall between properties of quantum-dot and quantum-well-like systems due to increased QD densities and their type-II nature. Finally, the decoherence mechanisms of the AB excitons are investigated via the temperature dependent studies of the magneto-PL. It is determined that the AB exciton decoherence is due to transport-like (acoustic phonon) scattering of the electrons moving in the ZnSe barriers, but with substantially smaller magnitude of electron-phonon coupling constant due to relatively strong electron-hole coupling within these type-II QDs. In Chapter 5 I discuss the results of circularly polarized magneto-PL measurements. A model with ultra-long spin-flip time of holes confined to submonolayer QDs is proposed. The g-factor of type-II excitons was extracted from the Zeeman splitting and the g-factor of electrons was obtained by fitting the temperature dependence of the degree of circular polarization (DCP), from which g-factor of holes confined within ZnTe QDs was found. It is shown

  20. Pressure-induced superconductivity in topological parent compound Bi2Te3

    SciTech Connect

    Zhang, J. L.; Zhang, S. J.; Weng, H. M.; Zhang, W.; Yang, L. X.; Liu, Q. Q.; Feng, S. M.; Wang, X. C.; Yu, R. C.; Cao, L. Z.; Wang, L.; Yang, W. G.; Liu, H. Z.; Zhao, W. Y.; Zhang, S. C.; Dai, X.; Fang, Z.; Jin, C. Q.

    2011-01-04

    We report a successful observation of pressure-induced superconductivity in a topological compound Bi₂Te₃ with Tc of ~3 K between 3 to 6 GPa. The combined high-pressure structure investigations with synchrotron radiation indicated that the superconductivity occurred at the ambient phase without crystal structure phase transition. The Hall effects measurements indicated the hole-type carrier in the pressure-induced superconducting Bi₂Te₃ single crystal. Consequently, the first-principles calculations based on the structural data obtained by the Rietveld refinement of X-ray diffraction patterns at high pressure showed that the electronic structure under pressure remained topologically nontrivial. The results suggested that topological superconductivity can be realized in Bi₂Te₃ due to the proximity effect between superconducting bulk states and Dirac-type surface states. We also discuss the possibility that the bulk state could be a topological superconductor.