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Sample records for 119m te atoms

  1. Anharmonicity and atomic distribution of SnTe and PbTe thermoelectrics

    DOE PAGESBeta

    Li, C. W.; Ma, J.; Cao, H. B.; May, A. F.; Abernathy, D. L.; Ehlers, G.; Hoffmann, C.; Wang, X.; Hong, T.; Huq, A.; et al

    2014-12-29

    The structure and lattice dynamics of rock-salt thermoelectric materials SnTe and PbTe are investigated with single crystal and powder neutron diffraction, inelastic neutron scattering (INS), and first-principles simulations. Our first-principles calculations of the radial distribution function (RDF) in both SnTe and PbTe show a clear asymmetry in the first nearest-neighbor (1NN) peak, which increases with temperature, in agreement with experimental reports (Ref. 1,2). We show that this peak asymmetry for the 1NN Sn–Te or Pb–Te bond results from large-amplitude anharmonic vibrations (phonons). No atomic off-centering is found in our simulations. In addition, the atomic mean square displacements derived from ourmore » diffraction data reveal stiffer bonding at the anion site, in good agreement with the partial phonon densities of states from INS, and first-principles calculations. In conclusion, these results provide clear evidence for large-amplitude anharmonic phonons associated with the resonant bonding leading to the ferroelectric instability.« less

  2. Anharmonicity and atomic distribution of SnTe and PbTe thermoelectrics

    SciTech Connect

    Li, C. W.; Ma, J.; Cao, H. B.; May, A. F.; Abernathy, D. L.; Ehlers, G.; Hoffmann, C.; Wang, X.; Hong, T.; Huq, A.; Gourdon, O.; Delaire, O.

    2014-12-29

    The structure and lattice dynamics of rock-salt thermoelectric materials SnTe and PbTe are investigated with single crystal and powder neutron diffraction, inelastic neutron scattering (INS), and first-principles simulations. Our first-principles calculations of the radial distribution function (RDF) in both SnTe and PbTe show a clear asymmetry in the first nearest-neighbor (1NN) peak, which increases with temperature, in agreement with experimental reports (Ref. 1,2). We show that this peak asymmetry for the 1NN Sn–Te or Pb–Te bond results from large-amplitude anharmonic vibrations (phonons). No atomic off-centering is found in our simulations. In addition, the atomic mean square displacements derived from our diffraction data reveal stiffer bonding at the anion site, in good agreement with the partial phonon densities of states from INS, and first-principles calculations. In conclusion, these results provide clear evidence for large-amplitude anharmonic phonons associated with the resonant bonding leading to the ferroelectric instability.

  3. Nuclear charge radii of the Te isotopes from muonic atoms

    SciTech Connect

    Shera, E.B.; Hoehn, M.V.; Fricke, G.; Mallot, G.

    1989-01-01

    The muonic atom energies of the 2p-1s and the 3d-2p transitions were measured with a statistical accuracy of better than +- 70 and +- 40 eV, respectively, for /sup 123,124,125,126,128,130/Te. The values for the Barrett equivalent nuclear radii R/sub k//sub ,//sub ..cap alpha../ and for the root-mean-square radii and their differences were calculated first from muonic data alone and second with the addition of published optical data. The latter data provided the radii of /sup 120/Te and /sup 122/Te isotopes, which were not measured by muonic x rays. A combined analysis of the muonic atom and optical isotope shift data yielded high-precision values of the differences in radii ..delta..R/sub k//sub ,//sub ..cap alpha../ (error < +- 0.5 am) and ..delta../sup 1/2/ (error < +- 0.9 am) between the neighboring isotopes. The optical constants for the Te line lambda = 4049 A were determined (including contributions of higher radial moments) to be F = (509 +- 120) mK/fm/sup 2/ and M = -(104 +- 63) x 10/sup 3/ mK. Systematic behavior of the radius differences in neighboring isotopes and isotones of Ba, Xe, Te, and Sn, together with odd-even staggering of the Te isotopes, are discussed in this paper. The ..delta..N = 2 Te isotope shifts between even-A nuclei decrease nearly linearly with increasing N, which can be explained by a successive decreasing deformation in accordance with the observed systematics.

  4. Atomic collisions with 33-TeV lead ions

    SciTech Connect

    Vane, C.R.; Datz, S.; Krause, H.F.

    1996-10-01

    Recent availability of relativistic and ultrarelativistic beams of heavy ions has permitted the first controlled studies of atomic collisions at energies sufficient to measure effects of several new basic phenomena. These include measurements substantiating recently predicted finite nuclear size effects resulting in a reduction in the total electronic energy loss of heavy ions in matter, and measurements of Coulomb collisions in which electrons are excited from the Dirac negative energy continuum. Measurements of total energy loss, free electron-positron pair production, and electron capture from pair production have been recently performed using 33-TeV Pb{sup 82+} ions from the CERN SPS accelerator in Geneva. Results of these studies are presented, along with comparisons with relevant theory.

  5. Ab initio study of molecular and atomic oxygen on GeTe(111) surfaces

    SciTech Connect

    Deringer, Volker L.; Dronskowski, Richard

    2014-11-07

    Oxidation of the phase-change material germanium telluride (GeTe) is an atomic-scale process of fundamental importance, as it is detrimental to the stability of GeTe-based data-storage devices. Here, we present comprehensive density-functional theory simulations of molecular and atomic oxygen in contact with GeTe(111) surfaces. Molecular O{sub 2} is predicted to readily adsorb on the Ge-terminated (111) surface; the pristine Te-terminated counterpart, by contrast, appears quite inert. The coverage-dependent adsorption of O atoms is then investigated, and based on these data, a surface phase diagram for GeTe(111)/O is constructed. These results afford a detailed, atom-resolved picture of the initial surface oxidation of GeTe, and they harmonize well with a previous X-ray photoelectron spectroscopy study on this very topic.

  6. First-principles Study of Atomic Rearrangement in GeTe-S2 bTe3 Superlattice

    NASA Astrophysics Data System (ADS)

    Song, Young-Sun; Jhi, Seung-Hoon; CNPL Team

    GeTe-Sb2Te3 chalcogenide superlattices, known as interfacial phase change memories (iPCMs), have been claimed to outperform Ge-Sb-Te-based phase-change materials. Despite its great potential as next-generation non-volatile memory devices, we still lack clear knowledge of the phase change mechanism. According to a recent work, the phase change processes in iPCMs involve two-step atomic rearrangements of Ge-Te layers, but the detailed interatomic features still remain unresolved. In this work, we studied the nature of atomic layer rearrangements in iPCMs using first-principles calculations and the interatomic potential model. We used the climbing image nudged elastic band (CI-NEB) method to obtain the intermediate structures and energies during the rearrangement processes. Applying a simple interatomic potential model to in-between steps, we investigated the interatomic motion during the phase change process. We found that a few selected atomic pairs determine most the energy barrier and also the response to external pressures.

  7. Local atomic arrangements and lattice distortions in layered Ge-Sb-Te crystal structures.

    PubMed

    Lotnyk, Andriy; Ross, Ulrich; Bernütz, Sabine; Thelander, Erik; Rauschenbach, Bernd

    2016-01-01

    Insights into the local atomic arrangements of layered Ge-Sb-Te compounds are of particular importance from a fundamental point of view and for data storage applications. In this view, a detailed knowledge of the atomic structure in such alloys is central to understanding the functional properties both in the more commonly utilized amorphous-crystalline transition and in recently proposed interfacial phase change memory based on the transition between two crystalline structures. Aberration-corrected scanning transmission electron microscopy allows direct imaging of local arrangement in the crystalline lattice with atomic resolution. However, due to the non-trivial influence of thermal diffuse scattering on the high-angle scattering signal, a detailed examination of the image contrast requires comparison with theoretical image simulations. This work reveals the local atomic structure of trigonal Ge-Sb-Te thin films by using a combination of direct imaging of the atomic columns and theoretical image simulation approaches. The results show that the thin films are prone to the formation of stacking disorder with individual building blocks of the Ge2Sb2Te5, Ge1Sb2Te4 and Ge3Sb2Te6 crystal structures intercalated within randomly oriented grains. The comparison with image simulations based on various theoretical models reveals intermixed cation layers with pronounced local lattice distortions, exceeding those reported in literature. PMID:27220411

  8. Local atomic arrangements and lattice distortions in layered Ge-Sb-Te crystal structures

    PubMed Central

    Lotnyk, Andriy; Ross, Ulrich; Bernütz, Sabine; Thelander, Erik; Rauschenbach, Bernd

    2016-01-01

    Insights into the local atomic arrangements of layered Ge-Sb-Te compounds are of particular importance from a fundamental point of view and for data storage applications. In this view, a detailed knowledge of the atomic structure in such alloys is central to understanding the functional properties both in the more commonly utilized amorphous–crystalline transition and in recently proposed interfacial phase change memory based on the transition between two crystalline structures. Aberration-corrected scanning transmission electron microscopy allows direct imaging of local arrangement in the crystalline lattice with atomic resolution. However, due to the non-trivial influence of thermal diffuse scattering on the high-angle scattering signal, a detailed examination of the image contrast requires comparison with theoretical image simulations. This work reveals the local atomic structure of trigonal Ge-Sb-Te thin films by using a combination of direct imaging of the atomic columns and theoretical image simulation approaches. The results show that the thin films are prone to the formation of stacking disorder with individual building blocks of the Ge2Sb2Te5, Ge1Sb2Te4 and Ge3Sb2Te6 crystal structures intercalated within randomly oriented grains. The comparison with image simulations based on various theoretical models reveals intermixed cation layers with pronounced local lattice distortions, exceeding those reported in literature. PMID:27220411

  9. Local atomic arrangements and lattice distortions in layered Ge-Sb-Te crystal structures

    NASA Astrophysics Data System (ADS)

    Lotnyk, Andriy; Ross, Ulrich; Bernütz, Sabine; Thelander, Erik; Rauschenbach, Bernd

    2016-05-01

    Insights into the local atomic arrangements of layered Ge-Sb-Te compounds are of particular importance from a fundamental point of view and for data storage applications. In this view, a detailed knowledge of the atomic structure in such alloys is central to understanding the functional properties both in the more commonly utilized amorphous–crystalline transition and in recently proposed interfacial phase change memory based on the transition between two crystalline structures. Aberration-corrected scanning transmission electron microscopy allows direct imaging of local arrangement in the crystalline lattice with atomic resolution. However, due to the non-trivial influence of thermal diffuse scattering on the high-angle scattering signal, a detailed examination of the image contrast requires comparison with theoretical image simulations. This work reveals the local atomic structure of trigonal Ge-Sb-Te thin films by using a combination of direct imaging of the atomic columns and theoretical image simulation approaches. The results show that the thin films are prone to the formation of stacking disorder with individual building blocks of the Ge2Sb2Te5, Ge1Sb2Te4 and Ge3Sb2Te6 crystal structures intercalated within randomly oriented grains. The comparison with image simulations based on various theoretical models reveals intermixed cation layers with pronounced local lattice distortions, exceeding those reported in literature.

  10. Nature of atomic bonding and atomic structure in the phase-change Ge2Sb2Te5 glass.

    PubMed

    Xu, M; Cheng, Y Q; Sheng, H W; Ma, E

    2009-11-01

    Using electronic structure calculations, we demonstrate a global valence alternation in the amorphous Ge2Sb2Te5, a prototype phase-change alloy for data storage. The resulting p bonding profoundly influences the local atomic structure, leading to right-angle components similar to those in the crystalline counterpart of this chalcogenide glass. The dominance of p bonding is revealed by (i) distributions of the coordination number (CN) and the bond angle, for truly bonded atoms determined based on the electron localization function, and (ii) a direct evaluation of the p (and s) orbital occupation probability for the CN=3 Ge atoms that form 90 degree bonds with neighbors. PMID:20365937

  11. The role of atomic vacancies on phonon confinement in α-GeTe

    SciTech Connect

    Kalra, Geetanjali; Murugavel, Sevi

    2015-04-15

    Atomic defects and their dynamics play a vital role in controlling the behavior of non-volatile phase change memory materials used in advanced optical storage devices. Synthesis and structural analysis by XRD and Raman spectroscopy on α-GeTe single crystal with different sizes are reported. The spectroscopic measurements on micron and nano sized α-GeTe single crystal reveal the evolution of phonon confinement with crystal sizes of few hundred nanometers. The characteristic vibrational modes of bulk α-GeTe structure are found to downshift and asymmetrically broaden to lower frequency with decreasing the single crystal size. We attribute the observed downshift of Raman lines in α-GeTe is largely due to the presence of high concentration of atomic vacancies. The crystal size and temperature dependent Raman spectra provide explicitly the dynamics of vacancies on optical phonon confinement in α-GeTe structure. Thus, the observed large concentration of vacancies and their size dependency might influence the phase change phenomenon in GeTe based alloys.

  12. Atomic-force microscopy and photoluminescence of nanostructured CdTe

    SciTech Connect

    Babentsov, V.; Sizov, F.; Franc, J.; Luchenko, A.; Svezhentsova, E. Tsybrii, Z.

    2013-09-15

    Low-dimensional CdTe nanorods with a diameter of 10-30 nm and a high aspect ratio that reaches 100 are studied. The nanorods are grown by the physical vapor transport method with the use of Bi precipitates on the substrates. In addition, thin films of closely packed CdTe nanorods with the transverse dimensions {approx}(100-200) nm are grown. Atomic-force microscopy shows that the cross sections of all of the nanorods were hexagonally shaped. By photoluminescence measurements, the inference about the wurtzite structure of CdTe is supported, and the structural quality, electron-phonon coupling, and defects are analyzed. On the basis of recent ab initio calculations, the nature of defects responsible for the formation of deep levels in the CdTe layers and bulk crystals are analyzed.

  13. Electrical characterization of HgTe nanowires using conductive atomic force microscopy

    SciTech Connect

    Gundersen, P.; Kongshaug, K. O.; Selvig, E.; Haakenaasen, R.

    2010-12-01

    Self-organized HgTe nanowires grown by molecular beam epitaxy (MBE) have been characterized using conductive atomic force microscopy. As HgTe will degrade or evaporate at normal baking temperatures for electron beam lithography (EBL) resists, an alternative method was developed. Using low temperature optical lithography processes, large Au contacts were deposited on a sample covered with randomly oriented, lateral HgTe nanowires. Nanowires partly covered by the large electrodes were identified with a scanning electron microscope and then localized in the atomic force microscope (AFM). The conductive tip of the AFM was then used as a movable electrode to measure current-voltage curves at several locations on HgTe nanowires. The measurements revealed that polycrystalline nanowires had diffusive electron transport, with resistivities two orders of magnitude larger than that of an MBE-grown HgTe film. The difference can be explained by scattering at the rough surface walls and at the grain boundaries in the wires. The method can be a solution when EBL is not available or requires too high temperature, or when measurements at several positions along a wire are required.

  14. Discovery of robust in-plane ferroelectricity in atomic-thick SnTe.

    PubMed

    Chang, Kai; Liu, Junwei; Lin, Haicheng; Wang, Na; Zhao, Kun; Zhang, Anmin; Jin, Feng; Zhong, Yong; Hu, Xiaopeng; Duan, Wenhui; Zhang, Qingming; Fu, Liang; Xue, Qi-Kun; Chen, Xi; Ji, Shuai-Hua

    2016-07-15

    Stable ferroelectricity with high transition temperature in nanostructures is needed for miniaturizing ferroelectric devices. Here, we report the discovery of the stable in-plane spontaneous polarization in atomic-thick tin telluride (SnTe), down to a 1-unit cell (UC) limit. The ferroelectric transition temperature T(c) of 1-UC SnTe film is greatly enhanced from the bulk value of 98 kelvin and reaches as high as 270 kelvin. Moreover, 2- to 4-UC SnTe films show robust ferroelectricity at room temperature. The interplay between semiconducting properties and ferroelectricity in this two-dimensional material may enable a wide range of applications in nonvolatile high-density memories, nanosensors, and electronics. PMID:27418506

  15. Discovery of robust in-plane ferroelectricity in atomic-thick SnTe

    NASA Astrophysics Data System (ADS)

    Chang, Kai; Liu, Junwei; Lin, Haicheng; Wang, Na; Zhao, Kun; Zhang, Anmin; Jin, Feng; Zhong, Yong; Hu, Xiaopeng; Duan, Wenhui; Zhang, Qingming; Fu, Liang; Xue, Qi-Kun; Chen, Xi; Ji, Shuai-Hua

    2016-07-01

    Stable ferroelectricity with high transition temperature in nanostructures is needed for miniaturizing ferroelectric devices. Here, we report the discovery of the stable in-plane spontaneous polarization in atomic-thick tin telluride (SnTe), down to a 1–unit cell (UC) limit. The ferroelectric transition temperature Tc of 1-UC SnTe film is greatly enhanced from the bulk value of 98 kelvin and reaches as high as 270 kelvin. Moreover, 2- to 4-UC SnTe films show robust ferroelectricity at room temperature. The interplay between semiconducting properties and ferroelectricity in this two-dimensional material may enable a wide range of applications in nonvolatile high-density memories, nanosensors, and electronics.

  16. Ultrafast optical manipulation of atomic motion in multilayer Ge-Sb-Te phase change materials

    NASA Astrophysics Data System (ADS)

    Makino, K.; Tominaga, J.; Kolobov, A. V.; Fons, P.; Hase, M.

    2013-03-01

    Phase change random access memory devices have evolved dramatically with the recent development of superlattice structure of Ge-Sb-Te material (GST-SL) in terms of its low power consumption. The phase change in GST-SL is mainly characterized by the displacement of Ge atoms. Here we examine a new phase change method, that is the manipulation of Ge-Te bonds using linearly-polarized femtosecond near-infrared optical pulses. As a result, we found that the p-polarized pump pulse is more effective in inducing the reversible and irreversible displacement of Ge atoms along [111] direction in the local structure. This structural change would be induced by the anisotropic carrier-phonon interaction along the [111] direction created by the p-polarized pulse.

  17. States of antimony and tin atoms in lead chalcogenides

    SciTech Connect

    Bordovsky, G. A.; Nemov, S. A.; Marchenko, A. V.; Zaiceva, A. V.; Kozhokar, M. Yu.; Seregin, P. P.

    2011-04-15

    It is shown by Moessbauer spectroscopy of the {sup 119}Sb({sup 119m}Sn) isotope that impurity antimony atoms in PbS, PbSe, and PbTe lattices are distributed between cation and anion sublattices. In n-type samples, the greatest part of antimony is located in the anion sublattice; in hole ones, in the cation sublattice. The tin atoms formed as a result of radioactive decay of {sup 119}Sb (antisite state) are electrically inactive in the anion sub-lattice of PbS and PbSe, while, in the cation sublattice, they form donor U{sup -} centers. Electron exchange between the neutral and doubly ionized tin U{sup -} centers via the allowed band states is observed. The tin atoms formed after radioactive decay of {sup 119}Sb are electrically inactive in the anion and cation sublattices of PbTe.

  18. Low-damage processing of CdTe(110) surfaces using atomic hydrogen

    NASA Astrophysics Data System (ADS)

    Luo, Y.; Slater, D. A.; Osgood, R. M., Jr.

    1995-07-01

    We present the results of an AES, XPS, and LEED study of the reaction of oxide and contaminant overlayers on the CdTe(110) surface with atomic hydrogen. Exposure of an oxidized surface to a flux of atomic hydrogen produced by ``cracking'' ambient molecular hydrogen on a hot tungsten filament results in a rapid, quantitative removal of the oxide overlayer with substrate temperatures as low as 300 K to produce a stoichiometric surface free of contaminants which has sufficient surface order to produce a sharp (1×1) LEED pattern.

  19. Bandgap modulation in photoexcited topological insulator Bi2Te3 via atomic displacements.

    PubMed

    Hada, Masaki; Norimatsu, Katsura; Tanaka, Sei Ichi; Keskin, Sercan; Tsuruta, Tetsuya; Igarashi, Kyushiro; Ishikawa, Tadahiko; Kayanuma, Yosuke; Miller, R J Dwayne; Onda, Ken; Sasagawa, Takao; Koshihara, Shin-Ya; Nakamura, Kazutaka G

    2016-07-14

    The atomic and electronic dynamics in the topological insulator (TI) Bi2Te3 under strong photoexcitation were characterized with time-resolved electron diffraction and time-resolved mid-infrared spectroscopy. Three-dimensional TIs characterized as bulk insulators with an electronic conduction surface band have shown a variety of exotic responses in terms of electronic transport when observed under conditions of applied pressure, magnetic field, or circularly polarized light. However, the atomic motions and their correlation between electronic systems in TIs under strong photoexcitation have not been explored. The artificial and transient modification of the electronic structures in TIs via photoinduced atomic motions represents a novel mechanism for providing a comparable level of bandgap control. The results of time-domain crystallography indicate that photoexcitation induces two-step atomic motions: first bismuth and then tellurium center-symmetric displacements. These atomic motions in Bi2Te3 trigger 10% bulk bandgap narrowing, which is consistent with the time-resolved mid-infrared spectroscopy results. PMID:27421417

  20. Bandgap modulation in photoexcited topological insulator Bi2Te3 via atomic displacements

    NASA Astrophysics Data System (ADS)

    Hada, Masaki; Norimatsu, Katsura; Tanaka, Sei'ichi; Keskin, Sercan; Tsuruta, Tetsuya; Igarashi, Kyushiro; Ishikawa, Tadahiko; Kayanuma, Yosuke; Miller, R. J. Dwayne; Onda, Ken; Sasagawa, Takao; Koshihara, Shin-ya; Nakamura, Kazutaka G.

    2016-07-01

    The atomic and electronic dynamics in the topological insulator (TI) Bi2Te3 under strong photoexcitation were characterized with time-resolved electron diffraction and time-resolved mid-infrared spectroscopy. Three-dimensional TIs characterized as bulk insulators with an electronic conduction surface band have shown a variety of exotic responses in terms of electronic transport when observed under conditions of applied pressure, magnetic field, or circularly polarized light. However, the atomic motions and their correlation between electronic systems in TIs under strong photoexcitation have not been explored. The artificial and transient modification of the electronic structures in TIs via photoinduced atomic motions represents a novel mechanism for providing a comparable level of bandgap control. The results of time-domain crystallography indicate that photoexcitation induces two-step atomic motions: first bismuth and then tellurium center-symmetric displacements. These atomic motions in Bi2Te3 trigger 10% bulk bandgap narrowing, which is consistent with the time-resolved mid-infrared spectroscopy results.

  1. Passivation of CdZnTe surfaces by oxidation in low energy atomic oxygen

    SciTech Connect

    Chen, H.; Chattopadhyay, K.; Chen, K.; Burger, A.; George, M.A.; Gregory, J.C.; Nag, P.K.; Weimer, J.J.; James, R.B.

    1999-01-01

    A method of surface passivation of Cd{sub 1{minus}x}Zn{sub x}Te (CZT) x-ray and gamma ray detectors has been established by using microwave-assisted atomic oxygen bombardment. Detector performance is significantly enhanced due to the reduction of surface leakage current. CZT samples were exposed to an atomic oxygen environment at the University of Alabama in Huntsville{close_quote}s Thermal Atomic Oxygen Facility. This system generates neutral atomic oxygen species with kinetic energies of 0.1{endash}0.2 eV. The surface chemical composition and its morphology modification due to atomic oxygen exposure were studied by x-ray photoelectron spectroscopy and atomic force microscopy and the results were correlated with current-voltage measurements and with room temperature spectral responses to {sup 133}Ba and {sup 241}Am radiation. A reduction of leakage current by about a factor of 2 is reported, together with significant improvement in the gamma-ray line resolution. {copyright} {ital 1999 American Vacuum Society.}

  2. Thermal stability of atomic layer deposition Al2O3 film on HgCdTe

    NASA Astrophysics Data System (ADS)

    Zhang, P.; Sun, C. H.; Zhang, Y.; Chen, X.; He, K.; Chen, Y. Y.; Ye, Z. H.

    2015-06-01

    Thermal stability of Atomic Layer Deposition Al2O3 film on HgCdTe was investigated by Al2O3 film post-deposition annealing treatment and Metal-Insulator-Semiconductor device low-temperature baking treatment. The effectiveness of Al2O3 film was evaluated by measuring the minority carrier lifetime and capacitance versus voltage characteristics. After annealing treatment, the minority carrier lifetime of the HgCdTe sample presented a slight decrease. Furthermore, the fixed charge density and the slow charge density decreased significantly in the annealed MIS device. After baking treatment, the fixed charge density and the slow charge density of the unannealed and annealed MIS devices decreased and increased, respectively.

  3. Atomic and electronic structure of Lomer dislocations at CdTe bicrystal interface.

    PubMed

    Sun, Ce; Paulauskas, Tadas; Sen, Fatih G; Lian, Guoda; Wang, Jinguo; Buurma, Christopher; Chan, Maria K Y; Klie, Robert F; Kim, Moon J

    2016-01-01

    Extended defects are of considerable importance in determining the electronic properties of semiconductors, especially in photovoltaics (PVs), due to their effects on electron-hole recombination. We employ model systems to study the effects of dislocations in CdTe by constructing grain boundaries using wafer bonding. Atomic-resolution scanning transmission electron microscopy (STEM) of a [1-10]/(110) 4.8° tilt grain boundary reveals that the interface is composed of three distinct types of Lomer dislocations. Geometrical phase analysis is used to map strain fields, while STEM and density functional theory (DFT) modeling determine the atomic structure at the interface. The electronic structure of the dislocation cores calculated using DFT shows significant mid-gap states and different charge-channeling tendencies. Cl-doping is shown to reduce the midgap states, while maintaining the charge separation effects. This report offers novel avenues for exploring grain boundary effects in CdTe-based solar cells by fabricating controlled bicrystal interfaces and systematic atomic-scale analysis. PMID:27255415

  4. Atomic and electronic structure of Lomer dislocations at CdTe bicrystal interface

    DOE PAGESBeta

    Sun, Ce; Paulauskas, Tadas; Sen, Fatih G.; Lian, Guoda; Wang, Jinguo; Buurma, Christopher; Chan, Maria K. Y.; Klie, Robert F.; Kim, Moon J.

    2016-06-03

    Extended defects are of considerable importance in determining the electronic properties of semiconductors, especially in photovoltaics (PVs), due to their effects on electron-hole recombination. We employ model systems to study the effects of dislocations in CdTe by constructing grain boundaries using wafer bonding. Atomic-resolution scanning transmission electron microscopy (STEM) of a [1–10]/ (110) 4.8° tilt grain boundary reveals that the interface is composed of three distinct types of Lomer dislocations. Geometrical phase analysis is used to map strain fields, while STEM and density functional theory (DFT) modeling determine the atomic structure at the interface. The electronic structure of the dislocationmore » cores calculated using DFT shows significant mid-gap states and different charge-channeling tendencies. Cl-doping is shown to reduce the midgap states, while maintaining the charge separation effects. In conclusion, this report offers novel avenues for exploring grain boundary effects in CdTe-based solar cells by fabricating controlled bicrystal interfaces and systematic atomic-scale analysis.« less

  5. Atomic and electronic structure of Lomer dislocations at CdTe bicrystal interface

    NASA Astrophysics Data System (ADS)

    Sun, Ce; Paulauskas, Tadas; Sen, Fatih G.; Lian, Guoda; Wang, Jinguo; Buurma, Christopher; Chan, Maria K. Y.; Klie, Robert F.; Kim, Moon J.

    2016-06-01

    Extended defects are of considerable importance in determining the electronic properties of semiconductors, especially in photovoltaics (PVs), due to their effects on electron-hole recombination. We employ model systems to study the effects of dislocations in CdTe by constructing grain boundaries using wafer bonding. Atomic-resolution scanning transmission electron microscopy (STEM) of a [1–10]/(110) 4.8° tilt grain boundary reveals that the interface is composed of three distinct types of Lomer dislocations. Geometrical phase analysis is used to map strain fields, while STEM and density functional theory (DFT) modeling determine the atomic structure at the interface. The electronic structure of the dislocation cores calculated using DFT shows significant mid-gap states and different charge-channeling tendencies. Cl-doping is shown to reduce the midgap states, while maintaining the charge separation effects. This report offers novel avenues for exploring grain boundary effects in CdTe-based solar cells by fabricating controlled bicrystal interfaces and systematic atomic-scale analysis.

  6. Atomic and electronic structure of Lomer dislocations at CdTe bicrystal interface

    PubMed Central

    Sun, Ce; Paulauskas, Tadas; Sen, Fatih G.; Lian, Guoda; Wang, Jinguo; Buurma, Christopher; Chan, Maria K. Y.; Klie, Robert F.; Kim, Moon J.

    2016-01-01

    Extended defects are of considerable importance in determining the electronic properties of semiconductors, especially in photovoltaics (PVs), due to their effects on electron-hole recombination. We employ model systems to study the effects of dislocations in CdTe by constructing grain boundaries using wafer bonding. Atomic-resolution scanning transmission electron microscopy (STEM) of a [1–10]/(110) 4.8° tilt grain boundary reveals that the interface is composed of three distinct types of Lomer dislocations. Geometrical phase analysis is used to map strain fields, while STEM and density functional theory (DFT) modeling determine the atomic structure at the interface. The electronic structure of the dislocation cores calculated using DFT shows significant mid-gap states and different charge-channeling tendencies. Cl-doping is shown to reduce the midgap states, while maintaining the charge separation effects. This report offers novel avenues for exploring grain boundary effects in CdTe-based solar cells by fabricating controlled bicrystal interfaces and systematic atomic-scale analysis. PMID:27255415

  7. 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.

  8. Conductive atomic force microscopy study of local electronic transport in ZnTe thin films

    SciTech Connect

    Kshirsagar, Sachin D.; Krishna, M. Ghanashyam; Tewari, Surya P.

    2013-02-05

    ZnTe thin films obtained by the electron beam evaporation technique were subjected to thermal annealing at 500 Degree-Sign C for 2 hours. The as deposited films were amorphous but transformed to the crystalline state under influence of the thermal treatment. There is increase in optical absorption due to the heat treatment caused by increase in free carrier concentration. Conductive atomic force microscopy shows the presence of electronic inhomogeneities in the films. This is attributed to local compositional variations in the films. I-V analysis in these systems indicates formation of Schottky junction at the metal semiconductor (M-S) interface.

  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. Raman scattering and anomalous Stokes–anti-Stokes ratio in MoTe2 atomic layers

    PubMed Central

    Goldstein, Thomas; Chen, Shao-Yu; Tong, Jiayue; Xiao, Di; Ramasubramaniam, Ashwin; Yan, Jun

    2016-01-01

    Stokes and anti-Stokes Raman scattering are performed on atomic layers of hexagonal molybdenum ditelluride (MoTe2), a prototypical transition metal dichalcogenide (TMDC) semiconductor. The data reveal all six types of zone center optical phonons, along with their corresponding Davydov splittings, which have been challenging to see in other TMDCs. We discover that the anti-Stokes Raman intensity of the low energy layer-breathing mode becomes more intense than the Stokes peak under certain experimental conditions, and find the effect to be tunable by excitation frequency and number of atomic layers. These observations are interpreted as a result of resonance effects arising from the C excitons in the vicinity of the Brillouin zone center in the photon-electron-phonon interaction process. PMID:27324297

  11. Observation of anomalous Stokes versus anti-Stokes ratio in MoTe2 atomic layers

    NASA Astrophysics Data System (ADS)

    Goldstein, Thomas; Chen, Shao-Yu; Xiao, Di; Ramasubramaniam, Ashwin; Yan, Jun

    We grow hexagonal molybdenum ditelluride (MoTe2), a prototypical transition metal dichalcogenide (TMDC) semiconductor, with chemical vapor transport methods and investigate its atomic layers with Stokes and anti-Stokes Raman scattering. We report observation of all six types of zone center optical phonons. Quite remarkably, the anti-Stokes Raman intensity of the low energy layer-breathing mode becomes more intense than the Stokes peak under certain experimental conditions, creating an illusion of 'negative temperature'. This effect is tunable, and can be switched from anti-Stokes enhancement to suppression by varying the excitation wavelength. We interpret this observation to be a result of resonance effects arising from the C excitons in the vicinity of the Brillouin zone center, which are robust even for multiple layers of MoTe2. The intense anti-Stokes Raman scattering provides a cooling channel for the crystal and opens up opportunities for laser cooling of atomically thin TMDC semiconductor devices. Supported by the University of Massachusetts Amherst, the National Science Foundation Center for Hierarchical Manufacturing (CMMI-1025020) and Office of Emerging Frontiers in Research and Innovation (EFRI-1433496).

  12. Interfacial chemistry in a ZnTe/CdSe superlattice studied by atom probe tomography and transmission electron microscopy strain measurements.

    PubMed

    Bonef, B; Haas, B; Rouvière, J-L; André, R; Bougerol, C; Grenier, A; Jouneau, P-H; Zuo, J-M

    2016-05-01

    The atomic scale analysis of a ZnTe/CdSe superlattice grown by molecular beam epitaxy is reported using atom probe tomography and strain measurements from high-resolution scanning transmission electron microscopy images. CdTe interfaces were grown by atomic layer epitaxy to prevent the spontaneous formation of ZnSe bonds. Both interfaces between ZnTe and CdSe are composed of alloyed layers of ZnSe. Pure CdTe interfaces are not observed and Zn atoms are also visible in the CdSe layers. This information is critical to design superlattices with the expected optoelectronic properties. PMID:26748639

  13. Enhanced electron coherence in atomically thin Nb3SiTe6

    NASA Astrophysics Data System (ADS)

    Hu, J.; Liu, X.; Yue, C. L.; Liu, J. Y.; Zhu, H. W.; He, J. B.; Wei, J.; Mao, Z. Q.; Antipina, L. Yu.; Popov, Z. I.; Sorokin, P. B.; Liu, T. J.; Adams, P. W.; Radmanesh, S. M. A.; Spinu, L.; Ji, H.; Natelson, D.

    2015-06-01

    It is now well established that many of the technologically important properties of two-dimensional (2D) materials, such as the extremely high carrier mobility in graphene and the large direct band gaps in MoS2 monolayers, arise from quantum confinement. However, the influence of reduced dimensions on electron-phonon (e-ph) coupling and its attendant dephasing effects in such systems has remained unclear. Although phonon confinement is expected to produce a suppression of e-ph interactions in 2D systems with rigid boundary conditions, experimental verification of this has remained elusive. Here, we show that the e-ph interaction is, indeed, modified by a phonon dimensionality crossover in layered Nb3SiTe6 atomic crystals. When the thickness of the Nb3SiTe6 crystals is reduced below a few unit cells, we observe an unexpected enhancement of the weak-antilocalization signature in magnetotransport. This finding strongly supports the theoretically predicted suppression of e-ph interactions caused by quantum confinement of phonons.

  14. Reduction of surface leakage current by surface passivation of CdZn Te and other materials using hyperthermal oxygen atoms

    DOEpatents

    Hoffbauer, Mark A.; Prettyman, Thomas H.

    2001-01-01

    Reduction of surface leakage current by surface passivation of Cd.sub.1-x Zn.sub.x Te and other materials using hyperthermal oxygen atoms. Surface effects are important in the performance of CdZnTe room-temperature radiation detectors used as spectrometers since the dark current is often dominated by surface leakage. A process using high-kinetic-energy, neutral oxygen atoms (.about.3 eV) to treat the surface of CdZnTe detectors at or near ambient temperatures is described. Improvements in detector performance include significantly reduced leakage current which results in lower detector noise and greater energy resolution for radiation measurements of gamma- and X-rays, thereby increasing the accuracy and sensitivity of measurements of radionuclides having complex gamma-ray spectra, including special nuclear materials.

  15. Atomic scale insight into the amorphous structure of Cu doped GeTe phase-change material

    SciTech Connect

    Zhang, Linchuan; Sa, Baisheng; Zhou, Jian; Sun, Zhimei; Song, Zhitang

    2014-10-21

    GeTe shows promising application as a recording material for phase-change nonvolatile memory due to its fast crystallization speed and extraordinary amorphous stability. To further improve the performance of GeTe, various transition metals, such as copper, have been doped in GeTe in recent works. However, the effect of the doped transition metals on the stability of amorphous GeTe is not known. Here, we shed light on this problem for the system of Cu doped GeTe by means of ab initio molecular dynamics calculations. Our results show that the doped Cu atoms tend to agglomerate in amorphous GeTe. Further, base on analyzing the pair correlation functions, coordination numbers and bond angle distributions, remarkable changes in the local structure of amorphous GeTe induced by Cu are obviously seen. The present work may provide some clues for understanding the effect of early transition metals on the local structure of amorphous phase-change compounds, and hence should be helpful for optimizing the structure and performance of phase-change materials by doping transition metals.

  16. Mechanical and Electrical Properties of CdTe Tetrapods Studied byAtomic Force Microscopy

    SciTech Connect

    Fang, Liang; Park, Jeong Young; Cui, Yi; Alivisatos, Paul; Shcrier, Joshua; Lee, Byounghak; Wang, Lin-Wang; Salmeron, Miquel

    2007-08-30

    The mechanical and electrical properties of CdTe tetrapod-shaped nanocrystals have been studied with atomic force microscopy. Tapping mode images of tetrapods deposited on silicon wafers revealed that they contact the surface with the ends of three arms. The length of these arms was found to be 130 {+-} 10 nm. A large fraction of the tetrapods had a shortened vertical arm as a result of fracture during sample preparation. Fracture also occurs when the applied load is a few nanonewtons. Compression experiments with the AFM tip indicate that tetrapods with the shortened vertical arm deform elastically when the applied force was less than 50 nN. Above 90 nN additional fracture events occurred that further shorted the vertical arm. Loads above 130 nN produced irreversible damage to the other arms as well. Current-voltage characteristics of tetrapods deposited on gold indicated semiconducting behavior with a current gap of {approx}2 eV at low loads (<50 nN) and a narrowing to about 1 eV at loads between 60 and 110 nN. Atomic calculation of the deformation suggests that the ends of the tetrapod arms are stuck during compression so that the deformations are due to bending modes. The reduction of the current gap is due to electrostatic effects, rather than strain deformation effects inside the tetrapod.

  17. Passivation Effect of Atomic Layer Deposition of Al2O3 Film on HgCdTe Infrared Detectors

    NASA Astrophysics Data System (ADS)

    Zhang, Peng; Ye, Zhen-Hua; Sun, Chang-Hong; Chen, Yi-Yu; Zhang, Tian-Ning; Chen, Xin; Lin, Chun; Ding, Ring-Jun; He, Li

    2016-06-01

    The passivation effect of atomic layer deposition of (ALD) Al2O3 film on a HgCdTe infrared detector was investigated in this work. The passivation effect of Al2O3 film was evaluated by measuring the minority carrier lifetime, capacitance versus voltage (C-V) characteristics of metal-insulator-semiconductor devices, and resistance versus voltage (R-V) characteristics of variable-area photodiodes. The minority carrier lifetime, C-V characteristics, and R-V characteristics of HgCdTe devices passivated by ALD Al2O3 film was comparable to those of HgCdTe devices passivated by e-beam evaporation of ZnS/CdTe film. However, the baking stability of devices passivated by Al2O3 film is inferior to that of devices passivated by ZnS/CdTe film. In future work, by optimizing the ALD Al2O3 film growing process and annealing conditions, it may be feasible to achieve both excellent electrical properties and good baking stability.

  18. Phase-change properties of GeSbTe thin films deposited by plasma-enchanced atomic layer depositon

    NASA Astrophysics Data System (ADS)

    Song, Sannian; Yao, Dongning; Song, Zhitang; Gao, Lina; Zhang, Zhonghua; Li, Le; Shen, Lanlan; Wu, Liangcai; Liu, Bo; Cheng, Yan; Feng, Songlin

    2015-02-01

    Phase-change access memory (PCM) appears to be the strongest candidate for next-generation high-density nonvolatile memory. The fabrication of ultrahigh-density PCM depends heavily on the thin-film growth technique for the phase-changing chalcogenide material. In this study, Ge2Sb2Te5 (GST) and GeSb8Te thin films were deposited by plasma-enhanced atomic layer deposition (ALD) method using Ge [(CH3)2 N]4, Sb [(CH3)2 N]3, Te(C4H9)2 as precursors and plasma-activated H2 gas as reducing agent of the metallorganic precursors. Compared with GST-based device, GeSb8Te-based device exhibits a faster switching speed and reduced reset voltage, which is attributed to the growth-dominated crystallization mechanism of the Sb-rich GeSb8Te films. These results show that ALD is an attractive method for preparation of phase-change materials.

  19. Phase-change properties of GeSbTe thin films deposited by plasma-enchanced atomic layer depositon.

    PubMed

    Song, Sannian; Yao, Dongning; Song, Zhitang; Gao, Lina; Zhang, Zhonghua; Li, Le; Shen, Lanlan; Wu, Liangcai; Liu, Bo; Cheng, Yan; Feng, Songlin

    2015-01-01

    Phase-change access memory (PCM) appears to be the strongest candidate for next-generation high-density nonvolatile memory. The fabrication of ultrahigh-density PCM depends heavily on the thin-film growth technique for the phase-changing chalcogenide material. In this study, Ge2Sb2Te5 (GST) and GeSb8Te thin films were deposited by plasma-enhanced atomic layer deposition (ALD) method using Ge [(CH3)2 N]4, Sb [(CH3)2 N]3, Te(C4H9)2 as precursors and plasma-activated H2 gas as reducing agent of the metallorganic precursors. Compared with GST-based device, GeSb8Te-based device exhibits a faster switching speed and reduced reset voltage, which is attributed to the growth-dominated crystallization mechanism of the Sb-rich GeSb8Te films. These results show that ALD is an attractive method for preparation of phase-change materials. PMID:25852385

  20. Thermoelectric transport and Hall measurements of low defect Sb2Te3 thin films grown by atomic layer deposition

    NASA Astrophysics Data System (ADS)

    Zastrow, S.; Gooth, J.; Boehnert, T.; Heiderich, S.; Toellner, W.; Heimann, S.; Schulz, S.; Nielsch, K.

    2013-03-01

    Sb2Te3 has recently been an object of intensive research since its promising applicability in thermoelectric, in phase-change memory devices and as a topological insulator. In this work, we report highly textured Sb2Te3 thin films, grown by atomic layer deposition on Si/SiO2 wafers based on the reaction of SbCl3 and (Et3Si)2Te. The low deposition temperature at 80 °C allows the pre-patterning of the Sb2Te3 by standard lithography processes. A platform to characterize the Seebeck coefficient S, the electrical conductivity σ as well as the Hall coefficient RH on the same film has been developed. Comparing all temperature-dependent transport properties, three different conductive regions in the temperature range of 50-400 K are found. Room temperature values of S = 146 × 10-6 VK-1, σ = 104 Sm-1 and mobility µ = 270.5 × 10-4 m2 V-1 s-1 are determined. The low carrier concentration in the range of n = 2.4 × 1018 cm-3 at 300 K quantifies the low defect content of the Sb2Te3 thin films.

  1. High Resolution Dopant Profiles Revealed by Atom Probe Tomography and STEM-EBIC for CdTe Based Solar Cells

    SciTech Connect

    Poplawsky, Jonathan D.; Li, Chen; Paudel, Naba; Guo, Wei; Yan, Yanfa; Pennycook, Stephen J.

    2016-01-01

    Segregated elements and their diffusion profiles within grain boundaries and interfaces resulting from post deposition heat treatments are revealed using atom probe tomography (APT), scanning transmission electron microscopy (STEM), and electron beam induced current (EBIC) techniques. The results demonstrate how these techniques complement each other to provide conclusive evidence for locations of space charge regions and mechanisms that create them at the nanoscale. Most importantly, a Cl dopant profile that extends ~5 nm into CdTe grains interfacing the CdS is shown using APT and STEM synergy, which has been shown to push the pn-junction into the CdTe layer indicative of a homojunction (revealed by STEM EBIC). In addition, Cu and Cl concentrations within grain boundaries within several nms and µms from the CdS/CdTe interface are compared, Na segregation of <0.1% is detected, and S variations of ~1–3% are witnessed between CdTe grains close to the CdS/CdTe interface. The segregation and diffusion of these elements directly impacts on the material properties, such as band gap energy and n/p type properties. Optimization of the interfacial and grain boundary doping will lead to higher efficiency solar cells.

  2. High Resolution Dopant Profiles Revealed by Atom Probe Tomography and STEM-EBIC for CdTe Based Solar Cells

    DOE PAGESBeta

    Poplawsky, Jonathan D.; Li, Chen; Paudel, Naba; Guo, Wei; Yan, Yanfa; Pennycook, Stephen J.

    2016-01-01

    Segregated elements and their diffusion profiles within grain boundaries and interfaces resulting from post deposition heat treatments are revealed using atom probe tomography (APT), scanning transmission electron microscopy (STEM), and electron beam induced current (EBIC) techniques. The results demonstrate how these techniques complement each other to provide conclusive evidence for locations of space charge regions and mechanisms that create them at the nanoscale. Most importantly, a Cl dopant profile that extends ~5 nm into CdTe grains interfacing the CdS is shown using APT and STEM synergy, which has been shown to push the pn-junction into the CdTe layer indicative ofmore » a homojunction (revealed by STEM EBIC). In addition, Cu and Cl concentrations within grain boundaries within several nms and µms from the CdS/CdTe interface are compared, Na segregation of <0.1% is detected, and S variations of ~1–3% are witnessed between CdTe grains close to the CdS/CdTe interface. The segregation and diffusion of these elements directly impacts on the material properties, such as band gap energy and n/p type properties. Optimization of the interfacial and grain boundary doping will lead to higher efficiency solar cells.« less

  3. Passivation Effect of Atomic Layer Deposition of Al2O3 Film on HgCdTe Infrared Detectors

    NASA Astrophysics Data System (ADS)

    Zhang, Peng; Ye, Zhen-Hua; Sun, Chang-Hong; Chen, Yi-Yu; Zhang, Tian-Ning; Chen, Xin; Lin, Chun; Ding, Ring-Jun; He, Li

    2016-09-01

    The passivation effect of atomic layer deposition of (ALD) Al2O3 film on a HgCdTe infrared detector was investigated in this work. The passivation effect of Al2O3 film was evaluated by measuring the minority carrier lifetime, capacitance versus voltage ( C- V) characteristics of metal-insulator-semiconductor devices, and resistance versus voltage ( R- V) characteristics of variable-area photodiodes. The minority carrier lifetime, C- V characteristics, and R- V characteristics of HgCdTe devices passivated by ALD Al2O3 film was comparable to those of HgCdTe devices passivated by e-beam evaporation of ZnS/CdTe film. However, the baking stability of devices passivated by Al2O3 film is inferior to that of devices passivated by ZnS/CdTe film. In future work, by optimizing the ALD Al2O3 film growing process and annealing conditions, it may be feasible to achieve both excellent electrical properties and good baking stability.

  4. Observation of different reflected high-energy electron diffraction patterns during atomic layer epitaxy growth of CdTe epilayers

    NASA Astrophysics Data System (ADS)

    Faschinger, W.; Juza, P.; Sitter, H.

    1991-12-01

    We present the first RHEED observations during atomic layer epitaxy growth of CdTe on GaAs substrates. The evolution of the RHEED pattern shows that, despite the large lattice mismatch, growth becomes two-dimensional after the deposition of a few monolayers. We observe intensity variations of two RHEED spots under surface resonance conditions and show that this new approach is superior to the observation of the specular spot for the measurement of surface coverages and adsorption kinetics. From the variation of the spot intensities with substrate temperature, we deduce that the Cd and Te surface coverages drop to 0.5 at substrate temperatures higher than 315°C.

  5. Element-resolved atomic structure imaging of rocksalt Ge2Sb2Te5 phase-change material

    NASA Astrophysics Data System (ADS)

    Zhang, Bin; Zhang, Wei; Shen, Zhenju; Chen, Yongjin; Li, Jixue; Zhang, Shengbai; Zhang, Ze; Wuttig, Matthias; Mazzarello, Riccardo; Ma, Evan; Han, Xiaodong

    2016-05-01

    Disorder-induced electron localization and metal-insulator transitions (MITs) have been a very active research field starting from the seminal paper by Anderson half a century ago. However, pure Anderson insulators are very difficult to identify due to ubiquitous electron-correlation effects. Recently, an MIT has been observed in electrical transport measurements on the crystalline state of phase-change GeSbTe compounds, which appears to be exclusively disorder driven. Subsequent density functional theory simulations have identified vacancy disorder to localize electrons at the Fermi level. Here, we report a direct atomic scale chemical identification experiment on the rocksalt structure obtained upon crystallization of amorphous Ge2Sb2Te5. Our results confirm the two-sublattice structure resolving the distribution of chemical species and demonstrate the existence of atomic disorder on the Ge/Sb/vacancy sublattice. Moreover, we identify a gradual vacancy ordering process upon further annealing. These findings not only provide a structural underpinning of the observed Anderson localization but also have implications for the development of novel multi-level data storage within the crystalline phases.

  6. Topological transport and atomic tunnelling–clustering dynamics for aged Cu-doped Bi2Te3 crystals

    PubMed Central

    Chen, Taishi; Chen, Qian; Schouteden, Koen; Huang, Wenkai; Wang, Xuefeng; Li, Zhe; Miao, Feng; Wang, Xinran; Li, Zhaoguo; Zhao, Bo; Li, Shaochun; Song, Fengqi; Wang, Jinlan; Wang, Baigeng; Van Haesendonck, Chris; Wang, Guanghou

    2014-01-01

    Enhancing the transport contribution of surface states in topological insulators is vital if they are to be incorporated into practical devices. Such efforts have been limited by the defect behaviour of Bi2Te3 (Se3) topological materials, where the subtle bulk carrier from intrinsic defects is dominant over the surface electrons. Compensating such defect carriers is unexpectedly achieved in (Cu0.1Bi0.9)2Te3.06 crystals. Here we report the suppression of the bulk conductance of the material by four orders of magnitude by intense ageing. The weak antilocalization analysis, Shubnikov–de Haas oscillations and scanning tunnelling spectroscopy corroborate the transport of the topological surface states. Scanning tunnelling microscopy reveals that Cu atoms are initially inside the quintuple layers and migrate to the layer gaps to form Cu clusters during the ageing. In combination with first-principles calculations, an atomic tunnelling–clustering picture across a diffusion barrier of 0.57 eV is proposed. PMID:25247692

  7. Cross-Sectional Conductive Atomic Force Microscopy of CdTe/CdS Solar Cells: Effects of Etching and Back-Contact Processes

    SciTech Connect

    Moutinho, H. R.; Dhere, R. G.; Jiang, C.-S.; Gessert, T.; Duda, A.; Young, M.; Metzger, W. K.; Li, X.; Al-Jassim, M. M.

    2006-01-01

    We investigated the effects of the etching processes using bromine and nitric-phosphoric acid solutions, as well as of Cu, in the bulk electrical conductivity of CdTe/CdS solar cells using conductive atomic force microscopy (C-AFM). Although the etching process can create a conductive layer on the surface of the CdTe, the layer is very shallow. In contrast, the addition of a thin layer of Cu to the surface creates a conductive layer inside the CdTe that is not uniform in depth, is concentrated at grains boundaries, and may short circuit the device if the CdTe is too thin. The etching process facilitates the Cu diffusion and results in thicker conductive layers. The existence of this inhomogeneous conductive layer directly affects the current transport and is probably the reason for needing thick CdTe in these devices.

  8. Cross-Sectional Conductive Atomic Force Microscopy of CdTe/CdS Solar Cells: Effects of Etching and Back-Contact Processes; Preprint

    SciTech Connect

    Moutinho, H. R.; Dhere, R. G.; Jiang, C.-S.; Gessert, T. A.; Duda, A. M.; Young, M.; Metzger, W. K.; Li, X.; Al-Jassim, M. M.

    2006-05-01

    We investigated the effects of the etching processes using bromine and nitric-phosphoric acid solutions, as well as of Cu, in the bulk electrical conductivity of CdTe/CdS solar cells using conductive atomic force microscopy (C-AFM). Although the etching process can create a conductive layer on the surface of the CdTe, the layer is very shallow. In contrast, the addition of a thin layer of Cu to the surface creates a conductive layer inside the CdTe that is not uniform in depth, is concentrated at grains boundaries, and may short circuit the device if the CdTe is too thin. The etching process facilitates the Cu diffusion and results in thicker conductive layers. The existence of this inhomogeneous conductive layer directly affects the current transport and is probably the reason for needing thick CdTe in these devices.

  9. Synthesis of ZnTe dendrites on multi-walled carbon nanotubes/polyimide nanocomposite membrane by electrochemical atomic layer deposition and photoelectrical property research

    SciTech Connect

    Jiang, Yimin; Kou, Huanhuan; Li, Jiajia; Yu, Shengjiao; Du, Yongling; Ye, Weichun; Wang, Chunming

    2012-10-15

    We report on the electrochemical atomic layer deposition (EC-ALD) of ZnTe dendrites on the carboxyl-functionalized multi-walled carbon nanotubes/polyimide (COOH-MWCNTs/PI) membrane. Electrochemical characteristics were studied by cyclic voltammetry (CV) and the deposition of ZnTe dendrites was completed using amperometric method (I-t). The prepared ZnTe dendrites were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The growth mechanism of ZnTe dendrites was elucidated to give a deep understanding of crystal growth. The concentration of reagents and deposition cycle had a significant effect on the morphology and structure of deposits. UV-vis transmission study indicated a direct band gap of 2.26 eV. Photoelectrical measurement confirmed the p-type conductivity of ZnTe dendrites, which indicated that the dendritic ZnTe crystals may have potential practical application in optoelectronic devices. - Graphical abstract: Representative SEM images of ZnTe dendrites. (a) Panorama of ZnTe dendrites; (b) a single dendrite. The regular branches appeared like leaves and showed a parallel arrangement layer upon layer between each other. Highlights: Black-Right-Pointing-Pointer ZnTe dendrites were successfully synthesized on CNTs/PI membrane by electrodeposition. Black-Right-Pointing-Pointer The growth mechanism of ZnTe dendritic structures was investigated in detail. Black-Right-Pointing-Pointer The concentration and deposition cycle greatly affected the morphology of ZnTe. Black-Right-Pointing-Pointer OCP and I-t studies showed that ZnTe can be beneficial to photoelectric applications.

  10. 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.

  11. Atomic-resolution study of dislocation structures and interfaces in poly-crystalline thin film CdTe using aberration-corrected STEM

    NASA Astrophysics Data System (ADS)

    Paulauskas, Tadas; Colegrove, Eric; Buurma, Chris; Kim, Moon; Klie, Robert

    2014-03-01

    Commercial success of CdTe-based thin film photovoltaic devices stems from its nearly ideal direct band gap which very effectively couples to Sun's light spectrum as well as ease of manufacturing and low cost of these modules. However, to further improve the conversion efficiency beyond 20 percent, it is important to minimize the harmful effects of grain boundaries and lattice defects in CdTe. Direct atomic-scale characterization is needed in order identify the carrier recombination centers. Likewise, it is necessary to confirm that passivants in CdTe, such as Cl, are able to diffuse and bind to the target defects. In this study, we characterize dislocation structures and grain boundaries in poly-crystalline CdTe using aberration-corrected cold-field emission scanning transmission electron microscopy (STEM). The chemical composition of Shockley partial, Frank and Lomer-Cottrell dislocations is examined via atomic column-resolved X-ray energy dispersive (XEDS) and electron energy-loss spectroscopies (EELS). Segregation of Cl towards dislocation cores and grain boundaries is shown in CdCl2 treated samples. We also investigate interfaces in ultra-high-vacuum bonded CdTe bi-crystals with pre-defined misorientation angles which are intended to mimic grain boundaries. Funded by: DOE EERE Sunshot Award EE0005956.

  12. Nanoscale multilevel switching in Ge2Sb2Te5 thin film with conductive atomic force microscopy

    NASA Astrophysics Data System (ADS)

    Yang, Fei; Xu, Ling; Chen, Jing; Xu, Jun; Yu, Yao; Ma, Zhongyuan; Chen, Kunji

    2016-01-01

    We demonstrate three-level data storage in amorphous Ge2Sb2Te5 (GST) thin film by conductive atomic force microscopy (C-AFM). Due to the high resolution and current sensitivity of AFM, the electrical properties of GST are investigated in the nanoscale. By applying an electric field between an AFM probe tip and the GST surface, well-resolved threshold switching and memory switching are obtained successively in a current-voltage sweeping. Correspondingly, three states with high, intermediate and low resistances, which are assigned data values ‘0’, ‘1’ and ‘2’ respectively, are observed in an IV-spectrum. The electrical resistance of GST thin film decreases by over two orders of magnitude in both switching processes, which provides a clear contrast to distinguish the three logical states. We also discuss the threshold electrical field of threshold switching in the amorphous GST thin film. Nanoscale conductive marks in the amorphous ON state and crystalline state are successfully fabricated by applying IV-spectra with different voltage ranges on the GST thin films.

  13. Nanoscale multilevel switching in Ge2Sb2Te5 thin film with conductive atomic force microscopy.

    PubMed

    Yang, Fei; Xu, Ling; Chen, Jing; Xu, Jun; Yu, Yao; Ma, Zhongyuan; Chen, Kunji

    2016-01-22

    We demonstrate three-level data storage in amorphous Ge2Sb2Te5 (GST) thin film by conductive atomic force microscopy (C-AFM). Due to the high resolution and current sensitivity of AFM, the electrical properties of GST are investigated in the nanoscale. By applying an electric field between an AFM probe tip and the GST surface, well-resolved threshold switching and memory switching are obtained successively in a current-voltage sweeping. Correspondingly, three states with high, intermediate and low resistances, which are assigned data values '0', '1' and '2' respectively, are observed in an IV-spectrum. The electrical resistance of GST thin film decreases by over two orders of magnitude in both switching processes, which provides a clear contrast to distinguish the three logical states. We also discuss the threshold electrical field of threshold switching in the amorphous GST thin film. Nanoscale conductive marks in the amorphous ON state and crystalline state are successfully fabricated by applying IV-spectra with different voltage ranges on the GST thin films. PMID:26651151

  14. Atomic-resolution characterization of the effects of CdCl{sub 2} treatment on poly-crystalline CdTe thin films

    SciTech Connect

    Paulauskas, T. Buurma, C.; Colegrove, E.; Guo, Z.; Sivananthan, S.; Klie, R. F.

    2014-08-18

    Poly-crystalline CdTe thin films on glass are used in commercial solar-cell superstrate devices. It is well known that post-deposition annealing of the CdTe thin films in a CdCl{sub 2} environment significantly increases the device performance, but a fundamental understanding of the effects of such annealing has not been achieved. In this Letter, we report a change in the stoichiometry across twin boundaries in CdTe and propose that native point defects alone cannot account for this variation. Upon annealing in CdCl{sub 2}, we find that the stoichiometry is restored. Our experimental measurements using atomic-resolution high-angle annular dark field imaging, electron energy-loss spectroscopy, and energy dispersive X-ray spectroscopy in a scanning transmission electron microscope are supported by first-principles density functional theory calculations.

  15. Atomic-resolution characterization of the effects of CdCl2 treatment on poly-crystalline CdTe thin films

    NASA Astrophysics Data System (ADS)

    Paulauskas, T.; Buurma, C.; Colegrove, E.; Guo, Z.; Sivananthan, S.; Chan, M. K. Y.; Klie, R. F.

    2014-08-01

    Poly-crystalline CdTe thin films on glass are used in commercial solar-cell superstrate devices. It is well known that post-deposition annealing of the CdTe thin films in a CdCl2 environment significantly increases the device performance, but a fundamental understanding of the effects of such annealing has not been achieved. In this Letter, we report a change in the stoichiometry across twin boundaries in CdTe and propose that native point defects alone cannot account for this variation. Upon annealing in CdCl2, we find that the stoichiometry is restored. Our experimental measurements using atomic-resolution high-angle annular dark field imaging, electron energy-loss spectroscopy, and energy dispersive X-ray spectroscopy in a scanning transmission electron microscope are supported by first-principles density functional theory calculations.

  16. First-principles study of atomic and electronic structures of 60∘ perfect and 30∘/90∘ partial glide dislocations in CdTe

    NASA Astrophysics Data System (ADS)

    Kweon, Kyoung E.; Åberg, Daniel; Lordi, Vincenzo

    2016-05-01

    The atomic and electronic structures of 60∘ glide perfect and 30∘/90∘ glide partial dislocations in CdTe are studied using combined semi-empirical and density functional theory calculations. The calculations predict that the dislocation cores tend to undergo significant reconstructions along the dislocation lines from the singly-periodic (SP) structures, yielding either doubly-periodic (DP) ordering by forming a dimer or quadruply-periodic (QP) ordering by alternating a dimer and a missing dimer. Charge modulation along the dislocation line, accompanied by the QP reconstruction for the Cd-/Te-core 60∘ perfect and 30∘ partials or the DP reconstruction for the Cd-core 90∘ partial, results in semiconducting character, as opposed to the metallic character of the SP dislocation cores. Dislocation-induced defect states for the 60∘ Cd-/Te-core are located relatively close to the band edges, whereas the defect states lie in the middle of the band gap for the 30∘ Cd-/Te-core partial dislocations. In addition to the intracore charge modulation within each QP core, the possibility of intercore charge transfer between two different dislocation cores when they are paired together in the same system is discussed. The analysis of the electronic structures reveals the potential role of the dislocations on charge transport in CdTe, particularly in terms of charge trapping and recombination.

  17. First-principles study of atomic and electronic structures of 60° perfect and 30°/90° partial glide dislocations in CdTe

    DOE PAGESBeta

    Kweon, Kyoung E.; Aberg, Daniel; Lordi, Vincenzo

    2016-05-16

    The atomic and electronic structures of 60° glide perfect and 30°/90° glide partial dislocations in CdTe are studied using combined semi-empirical and density functional theory calculations. The calculations predict that the dislocation cores tend to undergo significant reconstructions along the dislocation lines from the singly-periodic (SP) structures, yielding either doubly-periodic (DP) ordering by forming a dimer or quadruply-periodic (QP) ordering by alternating a dimer and a missing dimer. Charge modulation along the dislocation line, accompanied by the QP reconstruction for the Cd-/Te-core 60° perfect and 30° partials or the DP reconstruction for the Cd-core 90° partial, results in semiconducting character,more » as opposed to the metallic character of the SP dislocation cores. Dislocation-induced defect states for the 60° Cd-/Te-core are located relatively close to the band edges, whereas the defect states lie in the middle of the band gap for the 30° Cd-/Te-core partial dislocations. In addition to the intracore charge modulation within each QP core, the possibility of intercore charge transfer between two different dislocation cores when they are paired together in the same system is discussed. As a result, the analysis of the electronic structures reveals the potential role of the dislocations on charge transport in CdTe, particularly in terms of charge trapping and recombination.« less

  18. 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. PMID:27003582

  19. Two-dimensional Mineral [Pb2BiS3 ][AuTe2 ]: High mobility Charge Carriers in Single-atom-thick Layers

    NASA Astrophysics Data System (ADS)

    Fang, Lei; Im, J.; Stoumpos, C.; Shi, F.; Dravid, V.; Leroux, M.; Freeman, A.; Kwok, W.-K.,; Chung, D.-Y.; Kanatzidis, M.

    2015-03-01

    We report that [Pb2BiS3][AuTe2], known as a naturally occurring mineral buckhornite, hosts 2D carriers in single-atom-thick layers. The structure is composed of stacking layers of weakly coupled [Pb2BiS3] and [AuTe2] sheets. The insulating [Pb2BiS3] sheet inhibits interlayer charge hopping and confines the carriers in the basal plane of the single-atom-thick [AuTe2] layer. Magneto-transport measurements and theoretical calculations show a property of multiband semimetal with compensated density of electrons and holes, which exhibit high hole carrier mobility of 1360 cm2/Vs. This material possesses an extremely large anisotropy 104, comparable to benchmark materials graphite. The electronic structure features linear band dispersion at the Fermi level and ultrahigh Fermi velocities of 106 m/s which are virtually identical to that of graphene. The weak interlayer coupling gives rise to the highly cleavable property of single crystal specimens, indicating a prospect for monolayer system. This research was supported by the DoE, BES, under Contract No. DE-AC02-06CH11357, and NUANCE Center at the Northwestern Univeristy.

  20. Two-dimensional mineral [Pb2BiS3][AuTe2]: high-mobility charge carriers in single-atom-thick layers.

    PubMed

    Fang, Lei; Im, Jino; Stoumpos, Constantinos C; Shi, Fengyuan; Dravid, Vinayak; Leroux, Maxime; Freeman, Arthur J; Kwok, Wai-Kwong; Chung, Duck Young; Kanatzidis, Mercouri

    2015-02-18

    Two-dimensional (2D) electronic systems are of wide interest due to their richness in chemical and physical phenomena and potential for technological applications. Here we report that [Pb2BiS3][AuTe2], known as the naturally occurring mineral buckhornite, hosts 2D carriers in single-atom-thick layers. The structure is composed of stacking layers of weakly coupled [Pb2BiS3] and [AuTe2] sheets. The insulating [Pb2BiS3] sheet inhibits interlayer charge hopping and confines the carriers in the basal plane of the single-atom-thick [AuTe2] layer. Magneto-transport measurements on synthesized samples and theoretical calculations show that [Pb2BiS3][AuTe2] is a multiband semimetal with a compensated density of electrons and holes, which exhibits a high hole carrier mobility of ∼1360 cm(2)/(V s). This material possesses an extremely large anisotropy, Γ = ρ(c)/ρ(ab) ≈ 10(4), comparable to those of the benchmark 2D materials graphite and Bi2Sr2CaCu2O(6+δ). The electronic structure features linear band dispersion at the Fermi level and ultrahigh Fermi velocities of 10(6) m/s, which are virtually identical to those of graphene. The weak interlayer coupling gives rise to the highly cleavable property of the single crystal specimens. Our results provide a novel candidate for a monolayer platform to investigate emerging electronic properties. PMID:25612093

  1. NMR and specific heat study of atomic dynamics and spin-orbit behavior in Cu2-xAgyTe

    NASA Astrophysics Data System (ADS)

    Sirusi, Ali A.; Ballikaya, Sedat; Chen, Jing-Han; Uher, Ctirad; Ross, Joseph H., Jr.

    We report studies of Cu2Te and Cu2-xAgyTe, promising candidates for thermoelectric and photovoltaic applications. Cu and Te NMR show that above a well-defined 200 K onset, Cu2Te exhibits Cu-ion hopping, leading to the higher-temperature superionic motion. In Cu1.98Ag0.2Te the onset increases to 250 K. In the low-temperature static phase the properties are nearly identical. Aside from Korringa terms there are large diamagnetic contributions for all nuclei, comparable to those for other systems with very large spin-orbit and/or inverted band configurations. Thus the system may be a topologically interesting system like the similar phase Ag2Te. Results will be compared to DFT calculations of NMR shifts. The low-temperature spectra also indicate two distinct local environments for Cu sites, one corresponding to high symmetry such as characterizes the high-temperature cubic phase, and one with much more asymmetry. In addition, specific heat results are consistent with about 50% of the Cu ions being weakly bound on Einstein-oscillator sites. We tentatively connect these results to reported local inhomogeneity due to vacancy condensation in similar systems.

  2. Self-Driven Photodetector and Ambipolar Transistor in Atomically Thin GaTe-MoS2 p-n vdW Heterostructure.

    PubMed

    Yang, Shengxue; Wang, Cong; Ataca, Can; Li, Yan; Chen, Hui; Cai, Hui; Suslu, Aslihan; Grossman, Jeffrey C; Jiang, Chengbao; Liu, Qian; Tongay, Sefaattin

    2016-02-01

    Heterostructure engineering of atomically thin two-dimensional materials offers an exciting opportunity to fabricate atomically sharp interfaces for highly tunable electronic and optoelectronic devices. Here, we demonstrate abrupt interface between two completely dissimilar material systems, i.e, GaTe-MoS2 p-n heterojunction transistors, where the resulting device possesses unique electronic properties and self-driven photoelectric characteristics. Fabricated heterostructure transistors exhibit forward biased rectifying behavior where the transport is ambipolar with both electron and hole carriers contributing to the overall transport. Under illumination, photoexcited electron-hole pairs are readily separated by large built-in potential formed at the GaTe-MoS2 interface efficiently generating self-driven photocurrent within <10 ms. Overall results suggest that abrupt interfaces between vastly different material systems with different crystal symmetries still allow efficient charge transfer mechanisms at the interface and are attractive for photoswitch, photodetector, and photovoltaic applications because of large built-in potential at the interface. PMID:26796869

  3. 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

  4. Imaging atomic-scale effects of high-energy ion irradiation on superconductivity and vortex pinning in Fe(Se,Te)

    PubMed Central

    Massee, Freek; Sprau, Peter Oliver; Wang, Yong-Lei; Davis, J. C. Séamus; Ghigo, Gianluca; Gu, Genda D.; Kwok, Wai-Kwong

    2015-01-01

    Maximizing the sustainable supercurrent density, JC, 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 JC 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 FeSexTe1−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

  5. Ultrasound-assisted emulsification solidified floating organic drops microextraction of ultra trace amount of Te (IV) prior to graphite furnace atomic absorption spectrometry determination.

    PubMed

    Fathirad, Fariba; Afzali, Daryoush; Mostafavi, Ali; Ghanbarian, Maryam

    2012-01-15

    In the present study, a new, simple and efficient method for the preconcentration of ultra trace amounts of Te (IV) is developed using ultrasound-assisted emulsification solidified floating organic drops microextraction (USAE-SFODME) before graphite furnace atomic absorption spectrometry determination. In this method, tellurium is extracted into the fine droplets of 1-undecanol after chelate formation with the water soluble ligand, ammonium pyrrolidinedithiocarbamate (APDC). Several factors such as pH, chelating agent amount, type and volume of the extracting solvent, sonication and centrifuging time that influence the extraction and complex formation are optimized. Under the optimum conditions, the calibration graph is linear in the range of 0.01-0.24ngmL(-1) of tellurium in the original solution, with limit of detection of 0.003ngmL(-1). The relative standard deviation (RSD) for seven replicated determinations of tellurium ion at 0.08ngmL(-1) concentration level is calculated as 3.4%. The proposed method was successfully applied to the determination of Te (IV) in a standard soil and several water samples. PMID:22265571

  6. Rectification and tunneling effects enabled by Al2O3 atomic layer deposited on back contact of CdTe solar cells

    NASA Astrophysics Data System (ADS)

    Liang, Jun; Lin, Qinxian; Li, Hao; Su, Yantao; Yang, Xiaoyang; Wu, Zhongzhen; Zheng, Jiaxin; Wang, Xinwei; Lin, Yuan; Pan, Feng

    2015-07-01

    Atomic layer deposition (ALD) of Aluminum oxide (Al2O3) is employed to optimize the back contact of thin film CdTe solar cells. Al2O3 layers with a thickness of 0.5 nm to 5 nm are tested, and an improved efficiency, up to 12.1%, is found with the 1 nm Al2O3 deposition, compared with the efficiency of 10.7% without Al2O3 modification. The performance improvement stems from the surface modification that optimizes the rectification and tunneling of back contact. The current-voltage analysis indicates that the back contact with 1 nm Al2O3 maintains large tunneling leakage current and improves the filled factor of CdTe cells through the rectification effect. XPS and capacitance-voltage electrical measurement analysis show that the ALD-Al2O3 modification layer features a desired low-density of interface state of 8 × 1010 cm-2 by estimation.

  7. Rectification and tunneling effects enabled by Al{sub 2}O{sub 3} atomic layer deposited on back contact of CdTe solar cells

    SciTech Connect

    Liang, Jun; Lin, Qinxian; Li, Hao; Su, Yantao; Yang, Xiaoyang; Wu, Zhongzhen; Zheng, Jiaxin; Wang, Xinwei; Lin, Yuan; Pan, Feng

    2015-07-06

    Atomic layer deposition (ALD) of Aluminum oxide (Al{sub 2}O{sub 3}) is employed to optimize the back contact of thin film CdTe solar cells. Al{sub 2}O{sub 3} layers with a thickness of 0.5 nm to 5 nm are tested, and an improved efficiency, up to 12.1%, is found with the 1 nm Al{sub 2}O{sub 3} deposition, compared with the efficiency of 10.7% without Al{sub 2}O{sub 3} modification. The performance improvement stems from the surface modification that optimizes the rectification and tunneling of back contact. The current-voltage analysis indicates that the back contact with 1 nm Al{sub 2}O{sub 3} maintains large tunneling leakage current and improves the filled factor of CdTe cells through the rectification effect. XPS and capacitance-voltage electrical measurement analysis show that the ALD-Al{sub 2}O{sub 3} modification layer features a desired low-density of interface state of 8 × 10{sup 10 }cm{sup −2} by estimation.

  8. Performance improvement of phase-change memory cell using AlSb3Te and atomic layer deposition TiO2 buffer layer

    PubMed Central

    2013-01-01

    A phase change memory (PCM) cell with atomic layer deposition titanium dioxide bottom heating layer is investigated. The crystalline titanium dioxide heating layer promotes the temperature rise in the AlSb3Te layer which causes the reduction in the reset voltage compared to a conventional phase change memory cell. The improvement in thermal efficiency of the PCM cell mainly originates from the low thermal conductivity of the crystalline titanium dioxide material. Among the various thicknesses of the TiO2 buffer layer, 4 nm was the most appropriate thickness that maximized the improvement with negligible sacrifice of the other device performances, such as the reset/set resistance ratio, voltage window, and endurance. PMID:23414571

  9. Role of thermal history in atomic dynamics of chalcogenide glass: A case study on Ge20Te80 glass

    NASA Astrophysics Data System (ADS)

    Sharma, Yashika; Kalra, Geetanjali; Murugavel, Sevi

    2016-05-01

    The non-existence of thermodynamic equilibrium in glasses, their thermal history plays a very crucial role in explaining the relaxation behavior in various time scales and its configurational states. More importantly, the associated relaxation behavior is related mainly to the structural phenomenon of the glasses. Here, we report the dependence of quenching rate on the variation of structural units. The local structures of these glasses are monitored by recording the Raman spectroscopy and related to the different configurational states. The observed variations in structural differences are reflected in the measured density of the corresponding glasses. The quenching rate dependent of the relative fractions of edge-shared and corner-shared GeTe4 tetrahedral units are shown to be consistent with the corresponding variations in the measured density values.

  10. Observation of acoustic-phonon-like mode driven by magnetic imbalance between neighboring Fe atoms in Fe1+yTe (y < 0 . 12)

    NASA Astrophysics Data System (ADS)

    Fobes, David; Zaliznyak, Igor; Xu, Zhijun; Gu, Genda; Tranquada, John M.; He, Xu-Gang; Ku, Wei; Garlea, Ovidiu

    2014-03-01

    We have studied the evolution with temperature of the low-energy inelastic spectra of Fe1+yTe (y < 0 . 12), a parent compound of the iron-chalcogenide superconductor family, revealing an acoustic mode at an unexpected position. Recently, we found evidence for the formation of a bond-order wave leading to ferro-orbital order in the monoclinic phase, in part due to the observation of an elastic structural peak at (100) in the low-temperature monoclinic phase [D. Fobes, et al., arXiv:1307.7162]. In the inelastic spectra we observe a sharp acoustic-phonon-like mode dispersing out of the (100) position in the monoclinic phase. Surprisingly, the mode survives in the tetragonal phase, despite the absence of a Bragg peak at (100); such a peak is forbidden by symmetry. LDA calculations suggest this mode could involve significant magnetic scattering. By assuming in-phase virtual displacement of the Fe atoms from their equilibrium position in a frozen phonon calculation, we have found a small but significant imbalance in the magnetic moments between the two Fe atoms within the unit cell, suggesting magnetic contribution to the mode. Work at BNL supported by Office of Basic Energy Sciences, US DOE, under Contract No. DE-AC02-98CH10886. Research conducted at ORNL Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US DOE.

  11. Low power ovonic threshold switching characteristics of thin GeTe{sub 6} films using conductive atomic force microscopy

    SciTech Connect

    Manivannan, Anbarasu E-mail: ranjith@iith.ac.in; Sahu, Smriti; Myana, Santosh Kumar; Miriyala, Kumaraswamy; Ramadurai, Ranjith E-mail: ranjith@iith.ac.in

    2014-12-15

    Minimizing the dimensions of the electrode could directly impact the energy-efficient threshold switching and programming characteristics of phase change memory devices. A ∼12–15 nm AFM probe-tip was employed as one of the electrodes for a systematic study of threshold switching of as-deposited amorphous GeTe{sub 6} thin films. This configuration enables low power threshold switching with an extremely low steady state current in the on state of 6–8 nA. Analysis of over 48 different probe locations on the sample reveals a stable Ovonic threshold switching behavior at threshold voltage, V{sub TH} of 2.4 ± 0.5 V and the off state was retained below a holding voltage, V{sub H} of 0.6 ± 0.1 V. All these probe locations exhibit repeatable on-off transitions for more than 175 pulses at each location. Furthermore, by utilizing longer biasing voltages while scanning, a plausible nano-scale control over the phase change behavior from as-deposited amorphous to crystalline phase was studied.

  12. Influence of copper to indium atomic ratio on the properties of Cu-In-Te based thin-film solar cells prepared by low-temperature co-evaporation

    SciTech Connect

    Mise, Takahiro; Nakada, Tokio

    2012-09-15

    The influence of copper to indium atomic ratio (Cu/In) on the properties of Cu-In-Te based thin films and solar cells was investigated. The films (Cu/In = 0.38-1.17) were grown on both bare and Mo-coated soda-lime glass substrates at 250 Degree-Sign C by single-step co-evaporation using a molecular beam epitaxy system. Highly (112)-oriented CuInTe{sub 2} films were obtained at Cu/In ratios of 0.84-0.99. However, stoichiometric and Cu-rich films showed a poor film structure with high surface roughness. The films consist of polyhedron-shaped grains, which are related to the coexistence of a Cu{sub 2-x}Te phase, and significant evidence for the coexistence of the Cu{sub 2-x}Te phase in the stoichiometric and Cu-rich films is presented. KCN treatment was performed for the films in order to remove the Cu{sub 2-x}Te phase. The stoichiometric CuInTe{sub 2} thin films exhibited a high mobility above 50 cm{sup 2}/V s at room temperature after the KCN treatment. A preliminary solar cell fabricated using a 1.4-{mu}m-thick Cu-poor CuInTe{sub 2} thin film (Cu/In = 0.84, E{sub g} = 0.988 eV) yielded a total-area efficiency of 2.10%. The photovoltaic performance of the cell was improved after long-term ambient aging in dark conditions.

  13. 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.

  14. Te homogeneous precipitation in Ge dislocation loop vicinity

    NASA Astrophysics Data System (ADS)

    Perrin Toinin, J.; Portavoce, A.; Texier, M.; Bertoglio, M.; Hoummada, K.

    2016-06-01

    High resolution microscopies were used to study the interactions of Te atoms with Ge dislocation loops, after a standard n-type doping process in Ge. Te atoms neither segregate nor precipitate on dislocation loops, but form Te-Ge clusters at the same depth as dislocation loops, in contradiction with usual dopant behavior and thermodynamic expectations. Atomistic kinetic Monte Carlo simulations show that Te atoms are repulsed from dislocation loops due to elastic interactions, promoting homogeneous Te-Ge nucleation between dislocation loops. This phenomenon is enhanced by coulombic interactions between activated Te2+ or Te1+ ions.

  15. Two-electron tin centers arising in glassy chalcogenides of arsenic due to nuclear reactions

    SciTech Connect

    Bordovsky, G. A.; Gladkikh, P. V.; Kozhokar, M. Yu.; Marchenko, A. V.; Seregin, P. P.; Terukov, E. I.

    2010-08-15

    Impurity {sup 119m}Sn atoms arising as a result of radioactive decay of parent {sup 119mm}Sn atoms in the structure of the glasses As{sub 2}S{sub 3}, As{sub 2}Se{sub 3}, and As{sub 2}Te{sub 3} are part of the glass composition in the form of structural units corresponding to tetravalent tin. The impurity {sup 119m}Sn atoms formed as a result of radioactive decay of {sup 119}Sb atoms in the structure of the As{sub 2}S{sub 3} and As{sub 2}Se{sub 3} glasses are localized at the arsenic sites and play the role of two-electron centers with a negative correlation energy. For the As{sub 2}Te{sub 3} glass, similarly formed {sup 119m}Sn atoms are electrically inactive. The greatest part of the daughter {sup 119m}Sn atoms arising after radioactive decay of parent {sup 119m}Te atoms are located at the chalcogen sites and are electrically inactive in the As{sub 2}S{sub 3}, As{sub 2}Se{sub 3}, and As{sub 2}Te{sub 3} glasses. A significant recoil energy of daughter atoms in the case of the {sup 119m}Te radioactive decay brings about the appearance of the {sup 119m}Sn displaced atoms.

  16. 125Te NMR chemical-shift trends in PbTe–GeTe and PbTe–SnTe alloys

    SciTech Connect

    Njegic, Bosiljka; Levin, Evgenii M.; Schmidt-Rohr, Klaus

    2013-10-08

    Complex tellurides, such as doped PbTe, GeTe, and their alloys, are among the best thermoelectric materials. Knowledge of the change in 125Te NMR chemical shift due to bonding to dopant or “solute” atoms is useful for determination of phase composition, peak assignment, and analysis of local bonding. We have measured the 125Te NMR chemical shifts in PbTe-based alloys, Pb1-xGexTe and Pb1-xSnxTe, which have a rocksalt-like structure, and analyzed their trends. For low x, several peaks are resolved in the 22-kHz MAS 125Te NMR spectra. A simple linear trend in chemical shifts with the number of Pb neighbors is observed. No evidence of a proposed ferroelectric displacement of Ge atoms in a cubic PbTe matrix is detected at low Ge concentrations. The observed chemical shift trends are compared with the results of DFT calculations, which confirm the linear dependence on the composition of the first-neighbor shell. The data enable determination of the composition of various phases in multiphase telluride materials. They also provide estimates of the 125Te chemical shifts of GeTe and SnTe (+970 and +400±150 ppm, respectively, from PbTe), which are otherwise difficult to access due to Knight shifts of many hundreds of ppm in neat GeTe and SnTe.

  17. Interlayer Transition and Infrared Photodetection in Atomically Thin Type-II MoTe2/MoS2 van der Waals Heterostructures.

    PubMed

    Zhang, Kenan; Zhang, Tianning; Cheng, Guanghui; Li, Tianxin; Wang, Shuxia; Wei, Wei; Zhou, Xiaohao; Yu, Weiwei; Sun, Yan; Wang, Peng; Zhang, Dong; Zeng, Changgan; Wang, Xingjun; Hu, Weida; Fan, Hong Jin; Shen, Guozhen; Chen, Xin; Duan, Xiangfeng; Chang, Kai; Dai, Ning

    2016-03-22

    We demonstrate the type-II staggered band alignment in MoTe2/MoS2 van der Waals (vdW) heterostructures and an interlayer optical transition at ∼1.55 μm. The photoinduced charge separation between the MoTe2/MoS2 vdW heterostructure is verified by Kelvin probe force microscopy (KPFM) under illumination, density function theory (DFT) simulations and photoluminescence (PL) spectroscopy. Photoelectrical measurements of MoTe2/MoS2 vdW heterostructures show a distinct photocurrent response in the infrared regime (1550 nm). The creation of type-II vdW heterostructures with strong interlayer coupling could improve our fundamental understanding of the essential physics behind vdW heterostructures and help the design of next-generation infrared optoelectronics. PMID:26950255

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

    PubMed

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

    2015-02-01

    To achieve and use the most exotic electronic phenomena predicted for the surface states of 3D topological insulators (TIs), it is necessary to open a "Dirac-mass gap" in their spectrum by breaking time-reversal symmetry. Use of magnetic dopant atoms to generate a ferromagnetic state is the most widely applied approach. However, it is unknown how the spatial arrangements of the magnetic dopant atoms influence the Dirac-mass gap at the atomic scale or, conversely, whether the ferromagnetic interactions between dopant atoms are influenced by the topological surface states. Here we image the locations of the magnetic (Cr) dopant atoms in the ferromagnetic TI Cr0.08(Bi0.1Sb0.9)1.92Te3. Simultaneous visualization of the Dirac-mass gap Δ(r) reveals its intense disorder, which we demonstrate is directly related to fluctuations in n(r), the Cr atom areal density in the termination layer. We find the relationship of surface-state Fermi wavevectors to the anisotropic structure of Δ(r) not inconsistent with predictions for surface ferromagnetism mediated by those states. Moreover, despite the intense Dirac-mass disorder, the anticipated relationship [Formula: see text] is confirmed throughout and exhibits an electron-dopant interaction energy J* = 145 meV·nm(2). These observations reveal how magnetic dopant atoms actually generate the TI mass gap locally and that, to achieve the novel physics expected of time-reversal symmetry breaking TI materials, control of the resulting Dirac-mass gap disorder will be essential. PMID:25605947

  19. Pulsed laser deposited GeTe-rich GeTe-Sb2Te3 thin films

    PubMed Central

    Bouška, M.; Pechev, S.; Simon, Q.; Boidin, R.; Nazabal, V.; Gutwirth, J.; Baudet, E.; Němec, P.

    2016-01-01

    Pulsed laser deposition technique was used for the fabrication of Ge-Te rich GeTe-Sb2Te3 (Ge6Sb2Te9, Ge8Sb2Te11, Ge10Sb2Te13, and Ge12Sb2Te15) amorphous thin films. To evaluate the influence of GeTe content in the deposited films on physico-chemical properties of the GST materials, scanning electron microscopy with energy-dispersive X-ray analysis, X-ray diffraction and reflectometry, atomic force microscopy, Raman scattering spectroscopy, optical reflectivity, and sheet resistance temperature dependences as well as variable angle spectroscopic ellipsometry measurements were used to characterize as-deposited (amorphous) and annealed (crystalline) layers. Upon crystallization, optical functions and electrical resistance of the films change drastically, leading to large optical and electrical contrast between amorphous and crystalline phases. Large changes of optical/electrical properties are accompanied by the variations of thickness, density, and roughness of the films due to crystallization. Reflectivity contrast as high as ~0.21 at 405 nm was calculated for Ge8Sb2Te11, Ge10Sb2Te13, and Ge12Sb2Te15 layers. PMID:27199107

  20. Pulsed laser deposited GeTe-rich GeTe-Sb2Te3 thin films

    NASA Astrophysics Data System (ADS)

    Bouška, M.; Pechev, S.; Simon, Q.; Boidin, R.; Nazabal, V.; Gutwirth, J.; Baudet, E.; Němec, P.

    2016-05-01

    Pulsed laser deposition technique was used for the fabrication of Ge-Te rich GeTe-Sb2Te3 (Ge6Sb2Te9, Ge8Sb2Te11, Ge10Sb2Te13, and Ge12Sb2Te15) amorphous thin films. To evaluate the influence of GeTe content in the deposited films on physico-chemical properties of the GST materials, scanning electron microscopy with energy-dispersive X-ray analysis, X-ray diffraction and reflectometry, atomic force microscopy, Raman scattering spectroscopy, optical reflectivity, and sheet resistance temperature dependences as well as variable angle spectroscopic ellipsometry measurements were used to characterize as-deposited (amorphous) and annealed (crystalline) layers. Upon crystallization, optical functions and electrical resistance of the films change drastically, leading to large optical and electrical contrast between amorphous and crystalline phases. Large changes of optical/electrical properties are accompanied by the variations of thickness, density, and roughness of the films due to crystallization. Reflectivity contrast as high as ~0.21 at 405 nm was calculated for Ge8Sb2Te11, Ge10Sb2Te13, and Ge12Sb2Te15 layers.

  1. Pulsed laser deposited GeTe-rich GeTe-Sb2Te3 thin films.

    PubMed

    Bouška, M; Pechev, S; Simon, Q; Boidin, R; Nazabal, V; Gutwirth, J; Baudet, E; Němec, P

    2016-01-01

    Pulsed laser deposition technique was used for the fabrication of Ge-Te rich GeTe-Sb2Te3 (Ge6Sb2Te9, Ge8Sb2Te11, Ge10Sb2Te13, and Ge12Sb2Te15) amorphous thin films. To evaluate the influence of GeTe content in the deposited films on physico-chemical properties of the GST materials, scanning electron microscopy with energy-dispersive X-ray analysis, X-ray diffraction and reflectometry, atomic force microscopy, Raman scattering spectroscopy, optical reflectivity, and sheet resistance temperature dependences as well as variable angle spectroscopic ellipsometry measurements were used to characterize as-deposited (amorphous) and annealed (crystalline) layers. Upon crystallization, optical functions and electrical resistance of the films change drastically, leading to large optical and electrical contrast between amorphous and crystalline phases. Large changes of optical/electrical properties are accompanied by the variations of thickness, density, and roughness of the films due to crystallization. Reflectivity contrast as high as ~0.21 at 405 nm was calculated for Ge8Sb2Te11, Ge10Sb2Te13, and Ge12Sb2Te15 layers. PMID:27199107

  2. 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.

  3. Atomistic Structure and Nucleation of Nanoprecipitates in Thermoelectric PbTe- AgSbTe Composite

    SciTech Connect

    Ke, Xuezhi; Chen, Changfeng; Yang, Jihui; Wu, Lijun; Zhou, Juan; Li, Qiang; Zhu, Yimei; Kent, Paul R

    2009-01-01

    Many recent advances in thermoelectric (TE) materials are attributed to their nanoscale constituents. Determination of the nanocomposite structures has represented a major experimental and computational challenge and eluded previous attempts. Here we present the first atomically resolved structures of high performance TE material PbTe-AgSbTe2 by transmission electron microscopy imaging and density functional theory calculations. The results establish an accurate structural characterization for PbTe-AgSbTe2 and identify the interplay of electric dipolar interactions and strain fields as the driving mechanism for nanoprecipitate nucleation and aggregation.

  4. Impurity Gettering in (112)B HgCdTe/CdTe/Alternate Substrates

    NASA Astrophysics Data System (ADS)

    Benson, J. D.; Bubulac, L. O.; Lennon, C. M.; Jacobs, R. N.; Smith, P. J.; Markunas, J. K.; Jaime-Vasquez, M.; Almeida, L. A.; Stoltz, A.; Arias, J. A.; Brill, G.; Chen, Y.; Wijewarnasuriya, P. S.; Vilela, M. F.; Peterson, J.; Johnson, S. M.; Lofgreen, D. D.; Rhiger, D.; Patten, E. A.; Bangs, J.

    2013-11-01

    The crystalline structure and impurity profiles of HgCdTe/CdTe/alternate substrate (AS; Si and GaAs are possibilities) and CdTe/AS were analyzed by secondary-ion mass spectrometry, atomic force microscopy, etch pit density analysis, and scanning transmission electron microscopy. Impurities (Li, Na, and K) were shown to getter in as-grown CdTe/Si epilayers at in situ Te-stabilized thermal anneal (~500°C) interfaces. In HgCdTe/CdTe/Si epilayers, indium accumulation was observed at Te-stabilized thermal anneal interfaces. Impurity accumulation was measured at HgCdTe/CdTe and CdTe/ZnTe interfaces. Processing anneals were found to nearly eliminate the gettering effect at the in situ Te-stabilized thermal anneal interfaces. Impurities were found to redistribute to the front HgCdTe/CdTe/Si surface and p- n junction interfaces during annealing steps. We also investigated altering the in situ Te-stabilized thermal anneal process to enhance the gettering effect.

  5. Systematic study of structural, electronic, and optical properties of atomic-scale defects in the two-dimensional transition metal dichalcogenides M X2 (M = Mo , W; X = S , Se, Te)

    NASA Astrophysics Data System (ADS)

    Haldar, Soumyajyoti; Vovusha, Hakkim; Yadav, Manoj Kumar; Eriksson, Olle; Sanyal, Biplab

    2015-12-01

    In this work, we have systematically studied structural, electronic, and magnetic properties of atomic-scale defects in 2D transition metal dichalcogenides M X2 (M = Mo and W; X = S , Se, and Te) by density functional theory. Various types of defects, e.g., X vacancy, X interstitial, M vacancy, M interstitial, and M X and X X double vacancies, have been considered. It has been found that the X interstitial has the lowest formation energy (˜1 eV) for all the systems in the X -rich condition, whereas for the M -rich condition, X vacancy has the lowest formation energy except for M Te2 systems. Both these defects have very high equilibrium defect concentrations at growth temperatures (1000-1200 K) reported in literature. A pair of defects, e.g., two X vacancies or one M and one X vacancies, tend to occupy the nearest possible distance. No trace of magnetism has been found for any one of the defects considered. Apart from X interstitial, all other defects have defect states appearing in the band gap, which can greatly affect the electronic and optical properties of the pristine systems. Our calculated optical properties show that the defect states cause optical transitions at ˜1.0 eV, which can be beneficial for light emitting devices. The results of our systematic study are expected to guide the experimental nanoengineering of defects to achieve suitable properties related to band gap modifications and characterization of defect fingerprints via optical absorption measurements.

  6. Evidences of the existence of SiTe2 crystalline phase and a proposed new Si-Te phase diagram

    NASA Astrophysics Data System (ADS)

    Mishra, R.; Mishra, P. K.; Phapale, S.; Babu, P. D.; Sastry, P. U.; Ravikumar, G.; Yadav, A. K.

    2016-05-01

    The existence of two distinct crystalline phases viz., Si2Te3 and SiTe2, in the Si-Te system is established from differential thermal analysis (DTA) studies. Thermo-gravimetric (TG) data on SiTe2 indicate that the compound decomposes to Si in multiple steps via intermediate Si2Te3 phase. X-ray diffraction (XRD) reveals that SiTe2 crystallizes in P 3 ̅m1 space group with CdI2 trigonal structure, whereas Si2Te3 crystallizes in trigonal structure with space group P 3 ̅1c with varying occupation of octahedral voids. Single Si atoms fill only 1/2 of the octahedral voids in SiTe2 structure whereas in Si2Te3, Si atoms are arranged in pairs occupying 2/3 of the octahedral voids in alternating planes along c-axis. Further, X-ray absorption near edge structure (XANES) and X-ray photoelectron spectroscopy (XPS) confirm the distinctness of the chemical environment in the two crystalline structures confirming the uniqueness of both the phases. DTA results on the two compounds indicate the presence of one crystallographic phase-transition in each of the compound with transition temperatures at 441 °C for Si2Te3 and 392 °C for SiTe2. At the same time both Si2Te3 and SiTe2 undergo peritectic decomposition at 683 °C and 432 °C forming [Si(s)+Te(liq)] and [α-Si2Te3(s)+Te(liq)], respectively. The system revealed eutectic reaction between β-SiTe2 and Te at 398 °C [L=Te+SiTe2]. Consequently, the phase diagram in the Si-Te system has been delineated.

  7. Effective atomic number, energy loss and radiation damage studies in some materials commonly used in nuclear applications for heavy charged particles such as H, C, Mg, Fe, Te, Pb and U

    NASA Astrophysics Data System (ADS)

    Kurudirek, Murat

    2016-05-01

    Commonly used nuclear physics materials such as water, concrete, Pb-glass, paraffin, freon and P 10 gases, some alloys such as brass, bronze, stainless-steel and some scintillators such as anthracene, stilbene and toluene have been investigated with respect to the heavy charged particle interaction as means of projected range and effective atomic number (Zeff) in the energy region 10 keV to 10 MeV. Calculations were performed for heavy ions such as H, C, Mg, Fe, Te, Pb and U. Also, the energy loss and radiation damage were studied using SRIM Monte Carlo code for anthracene for different heavy ions of 100 keV kinetic energy. It has been observed that the variation in Zeff becomes less when the atomic number of the ions increase. Glass-Pb, bronze, brass, stainless-steel and Freon gas were found to vary less than 10% in the energy region 10 keV to 10 MeV. For total proton interaction, discrepancies up to 10% and 18% between two databases namely PSTAR and SRIM were noted in mass stopping power and Zeff of water, respectively. The range calculations resulted with a conclusion that the metal alloys and glass-Pb have lowest values of ranges confirming best shielding against energetic heavy ions whereas freon and P 10 gases have the highest values of ranges in the entire energy region. The simulation results showed that the energy loss (%) to target electrons decreases as the Z of the incident ion increases. Also, it was observed that the radiation damage first increases with Z of the ion and then keeps almost constant for ions with Z≥52.

  8. Thermoelectric properties of p-type PbTe/Ag{sub 2}Te bulk composites by extrinsic phase mixing

    SciTech Connect

    Lee, Min Ho; Rhyee, Jong-Soo

    2015-12-15

    We investigated the thermoelectric properties of PbTe/Ag{sub 2}Te bulk composites, synthesized by hand milling, mixing, and hot press sintering. From x-ray diffraction and energy dispersive x-ray spectroscopy measurements, we observed Ag{sub 2}Te phase separation in the PbTe matrix without Ag atom diffusion. In comparison with previously reported pseudo-binary (PbTe){sub 1−x}(Ag{sub 2}Te){sub x} composites, synthesized by high temperature phase separation, the PbTe/Ag{sub 2}Te bulk composites fabricated with a low temperature phase mixing process give rise to p-type conduction of carriers with significantly decreased electrical conductivity. This indicates that Ag atom diffusion in the PbTe matrix changes the sign of the Seebeck coefficient to n-type and also increases the carrier concentration. Effective p-type doping with low temperature phase separation by mixing and hot press sintering can enhance the thermoelectric performance of PbTe/Ag{sub 2}Te bulk composites, which can be used as a p-type counterpart of n-type (PbTe){sub 1−x}(Ag{sub 2}Te){sub x} bulk composites.

  9. Analysis of Etched CdZnTe Substrates

    NASA Astrophysics Data System (ADS)

    Benson, J. D.; Bubulac, L. O.; Jaime-Vasquez, M.; Lennon, C. M.; Arias, J. M.; Smith, P. J.; Jacobs, R. N.; Markunas, J. K.; Almeida, L. A.; Stoltz, A.; Wijewarnasuriya, P. S.; Peterson, J.; Reddy, M.; Jones, K.; Johnson, S. M.; Lofgreen, D. D.

    2016-06-01

    State-of-the-art as-received (112)B CdZnTe substrates have been examined for surface impurity contamination and polishing residue. Two 4 cm × 4 cm and one 6 cm × 6 cm (112)B state-of-the-art as-received CdZnTe wafers were analyzed. A maximum surface impurity concentration of Al = 1.7 × 1015 atoms cm-2, Si = 3.7 × 1013 atoms cm-2, Cl = 3.12 × 1015 atoms cm-2, S = 1.7 × 1014 atoms cm-2, P = 1.1 × 1014 atoms cm-2, Fe = 1.0 × 1013 atoms cm-2, Br = 1.2 × 1014 atoms cm-2, and Cu = 4 × 1012 atoms cm-2 was observed on the as-received CdZnTe wafers. CdZnTe particulates and residual SiO2 polishing grit were observed on the surface of the as-received (112)B CdZnTe substrates. The polishing grit/CdZnTe particulate density on CdZnTe wafers was observed to vary across a 6 cm × 6 cm wafer from ˜4 × 107 cm-2 to 2.5 × 108 cm-2. The surface impurity and damage layer of the (112)B CdZnTe wafers dictate that a molecular beam epitaxy (MBE) preparation etch is required. The contamination for one 4 cm × 4 cm and one 6 cm × 6 cm CdZnTe wafer after a standard MBE Br:methanol preparation etch procedure was also analyzed. A maximum surface impurity concentration of Al = 2.4 × 1015 atoms cm-2, Si = 4.0 × 1013 atoms cm-2, Cl = 7.5 × 1013 atoms cm-2, S = 4.4 × 1013 atoms cm-2, P = 9.8 × 1013 atoms cm-2, Fe = 1.0 × 1013 atoms cm-2, Br = 2.9 × 1014 atoms cm-2, and Cu = 5.2 × 1012 atoms cm-2 was observed on the MBE preparation-etched CdZnTe wafers. The MBE preparation-etched surface contamination consists of Cd(Zn)Te particles/flakes. No residual SiO2 polishing grit was observed on the (112)B surface.

  10. Analysis of Etched CdZnTe Substrates

    NASA Astrophysics Data System (ADS)

    Benson, J. D.; Bubulac, L. O.; Jaime-Vasquez, M.; Lennon, C. M.; Arias, J. M.; Smith, P. J.; Jacobs, R. N.; Markunas, J. K.; Almeida, L. A.; Stoltz, A.; Wijewarnasuriya, P. S.; Peterson, J.; Reddy, M.; Jones, K.; Johnson, S. M.; Lofgreen, D. D.

    2016-09-01

    State-of-the-art as-received (112)B CdZnTe substrates have been examined for surface impurity contamination and polishing residue. Two 4 cm × 4 cm and one 6 cm × 6 cm (112)B state-of-the-art as-received CdZnTe wafers were analyzed. A maximum surface impurity concentration of Al = 1.7 × 1015 atoms cm-2, Si = 3.7 × 1013 atoms cm-2, Cl = 3.12 × 1015 atoms cm-2, S = 1.7 × 1014 atoms cm-2, P = 1.1 × 1014 atoms cm-2, Fe = 1.0 × 1013 atoms cm-2, Br = 1.2 × 1014 atoms cm-2, and Cu = 4 × 1012 atoms cm-2 was observed on the as-received CdZnTe wafers. CdZnTe particulates and residual SiO2 polishing grit were observed on the surface of the as-received (112)B CdZnTe substrates. The polishing grit/CdZnTe particulate density on CdZnTe wafers was observed to vary across a 6 cm × 6 cm wafer from ˜4 × 107 cm-2 to 2.5 × 108 cm-2. The surface impurity and damage layer of the (112)B CdZnTe wafers dictate that a molecular beam epitaxy (MBE) preparation etch is required. The contamination for one 4 cm × 4 cm and one 6 cm × 6 cm CdZnTe wafer after a standard MBE Br:methanol preparation etch procedure was also analyzed. A maximum surface impurity concentration of Al = 2.4 × 1015 atoms cm-2, Si = 4.0 × 1013 atoms cm-2, Cl = 7.5 × 1013 atoms cm-2, S = 4.4 × 1013 atoms cm-2, P = 9.8 × 1013 atoms cm-2, Fe = 1.0 × 1013 atoms cm-2, Br = 2.9 × 1014 atoms cm-2, and Cu = 5.2 × 1012 atoms cm-2 was observed on the MBE preparation-etched CdZnTe wafers. The MBE preparation-etched surface contamination consists of Cd(Zn)Te particles/flakes. No residual SiO2 polishing grit was observed on the (112)B surface.

  11. 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.

  12. STM/AFM investigations of β-MoTe 2, α-MoTe 2 and WTe 2

    NASA Astrophysics Data System (ADS)

    Hla, S. W.; Marinković, V.; Prodan, A.; Muševič, I.

    1996-05-01

    There is controversy in the literature concerning the correspondence of STM images to the atomic positions on some transition metal layered dichalcogenide surfaces. Although it is difficult to differentiate between metal and chalcogen atoms in these crystals with hexagonal symmetry, like α-MoTe 2, this can be done in cases of β-MoTe 2 and WTe 2 with changed metal-Te distances. Contrary to published STM images of WTe 2 our STM images of β-MoTe 2 show details which resemble the structure of both corrugated topmost Te and metal layers. The d z 2 orbitals of metal atoms protruding vertically upward may provide the tunneling current in this case. The detection of surface or sub-surface atoms depends on the tip electronic condition. The STM results are compared with those from AFM.

  13. Atom formation processes in the presence of ammonium thiocyanate in a thin-wall tungsten tube atomizer for atomic absorption spectrometry

    NASA Astrophysics Data System (ADS)

    Ohta, Kiyohisa; Mizuno, Takayuki

    Processes of atom formation of Ag, Al, As, Bi, Cd, Cr, Fe, Mn, Ni, Pb, Sb, Se, Sn, Sr and Te in the presence of ammonium thiocyanate in a thin-wall tungsten tube atomizer are described. It was found from a thermodynamic approach that AI, Bi, Cd, Cr, Fe, Ni and Te formed complexes with ammonium thiocyanate and are atomized through the sulfides in argon-hydrogen atmosphere. Atom formation processess for the other elements are different.

  14. Te-centric view of the phase change mechanism in Ge-Sb-Te alloys.

    PubMed

    Sen, S; Edwards, T G; Cho, J-Y; Joo, Y-C

    2012-05-11

    The short-range structure of amorphous and fcc Ge1Sb2Te4 and Ge2Sb2Te5 phase-change alloys is investigated using 125Te NMR spectroscopy. Both amorphous and fcc structures consist solely of heteropolar Ge/Sb-Te bonds that may enable rapid displacive phase transformation without the need for extensive atomic rearrangement. The vacancy distribution is random in microcrystalline fcc phases while significant clustering is observed in their nanocrystalline counterparts that may result in the formation of tetrahedrally coordinated Ge atoms in the latter. This structural commonality may further facilitate the kinetics of transformation between amorphous and nanocrystalline fcc phases, a situation relevant for high-density memory storage. PMID:23003059

  15. First-principles simulations of liquid ZnTe

    NASA Astrophysics Data System (ADS)

    Jain, Manish; Godlevsky, Vitaliy V.; Derby, Jeffrey J.; Chelikowsky, James R.

    2002-01-01

    We report the results of ab initio molecular-dynamic simulations of liquid ZnTe near the melting point temperature. In agreement with experiment, we find that l-ZnTe retains its open tetrahedral environment upon melting with a coordination near four. In addition, we find atoms of Te in l-ZnTe often form transitory chains just as in l-CdTe. We compare our calculated structure factor to experiment and also determine the conductivity of the melt. l-ZnTe has a semiconductorlike conductivity similar to CdTe. We also calculate the dynamic properties of the liquid and predict self-diffusion constants of DZn=1.0×10-4 cm2/s and DTe=3.2×10-5 cm2/s.

  16. Structure of amorphous Ge8Sb2Te11 : GeTe-Sb2Te3 alloys and optical storage

    NASA Astrophysics Data System (ADS)

    Akola, J.; Jones, R. O.

    2009-04-01

    The amorphous structure of Ge8Sb2Te11 , an alloy used in the Blu-ray Disc, the de facto successor to digital versatile disk (DVD) optical storage, has been characterized by large-scale (630 atoms, 0.4 ns) density-functional/molecular-dynamics simulations using the new PBEsol approximation for the exchange-correlation energy functional. The geometry and electronic structure agree well with available x-ray diffraction data and photoelectron measurements. The total coordination numbers are Ge: 4.0, Sb: 3.7, and Te: 2.9, and the Ge-Ge partial coordination number is 0.7. Most atoms (particularly Sb) prefer octahedral coordination but 42% of Ge atoms are “tetrahedral.” Structural details, including ring statistics, local coordination, and cavities (12% of total volume), are strikingly similar to those of Ge2Sb2Te5 , which is used in DVD-random access memory. The presence of less than 10% Sb atoms leads to significant changes from GeTe.

  17. Study of the structure and chemical bonding of crystalline Ge4Sb2Te7 using first principle calculations

    NASA Astrophysics Data System (ADS)

    Singh, Janpreet; Singh, Satvinder; Singh, Gurinder; Kaura, Aman; Tripathi, S. K.

    2016-05-01

    The atomic arrangements and chemical bonding of stable Ge4Sb2Te7 (GeTe rich), a phase-change material, have been investigated by means of ab initio total energy calculations. To study the atomic arrangement, GeTe block is considered into -TeSbTeSbTe- block and -Te-Te- layer in the stacking I and II respectively. The stacking I is energetically more stable than the stacking II. The reason for more stability of the stacking I has been explained. The chemical bonding has been studied with the electronic charge density distribution around the atomic bonds. The quantity of electronic charge loosed or gained by atoms has been calculated using the Bader charge analysis. The metallic character has been studied using band structures calculations. The band gap for the stacking I and II is 0.463 and 0.219 eV respectively.

  18. Structure of molten Ga-Te eutectic

    SciTech Connect

    Dutchak, Ya.I.; Mudryi, S.I.; Kozyrenko, V.N.

    1988-02-01

    We have made an x-ray study of the Ga-Te eutectic liquid. The phase diagram shows a series of compounds as well as immiscibility regions for two liquid phases and the eutectic. The compounds GaTe and Ga/sub 2/Te/sub 3/ melt congruently. The phase diagram is complicated, and the phase state varies substantially with the component ratio. The liquid eutectic (87 at. % Te) was examined with a high-temperature diffractometer intended particularly for liquids; Cu K..cap alpha.. radiation was used, which was monochromatized with LiF. An integral Fourier transformation was used to calculate the radial distributions for the atoms and the density; the first were used to derive the most likely shortest interatomic distances, while the second gave the mean coordination numbers.

  19. Electrical properties of PbTe single crystals with excess tellurium

    SciTech Connect

    Bagiyeva, G. Z. Mustafayev, N. B.; Abdinova, G. Dj.; Abdinov, D. Sh.

    2011-11-15

    The effects of excess (up to 0.1 at %) Te atoms and heat treatment at 473 and 573 K for 120 h on the conductivity {sigma}, thermopower {alpha}, and Hall coefficient R of PbTe single crystals are studied. It is shown that excess Te atoms and annealing strongly affect the values and character of the temperature dependences of these parameters and the signs of {alpha} and R at low temperatures, which is caused by the acceptor effect of these atoms and the formation of antisite defects due to localization of Te in vacancies of the lead sublattice upon annealing.

  20. Quantum wells with zincblende MnTe barriers

    NASA Astrophysics Data System (ADS)

    Han, J.; Durbin, S. M.; Gunshor, R. L.; Kobayashi, M.; Menke, D. R.; Pelekanos, N.; Hagerott, M.; Nurmikko, A. V.; Nakamura, Y.; Otsuka, N.

    1991-05-01

    In this paper we describe a series of MnTe/CdTe/MnTe and MnTe/InSb/MnTe single quantum well structures. For the CdTe quantum wells we report the observation of luminescence covering the entire visible range from red to blue; a quantized state in the InSb well is used to implement resonant tunneling. X-ray diffraction and transmission electron microscopy (TEM) were used to evaluate the microstructural quality of the structures. Dark-field TEM showed that, in spite of the 2.3% lattice mismatch, the MnTe layers remained pseudomorphic and dislocation-free. High resolution images (also used to determine dimensional details) indicated that the interfaces were atomically abrupt, and that the CdTe and InSb wells were essentially unstrained in each of the structures; most of the strain was contained in the MnTe barrier layers. Optical properties of the single quantum well structures have been studied using photoluminescence and photoluminescence excitation spectroscopy. Blue luminescence at 2.59 eV ( n = 1 transition) has been observed from a structure with a 10 Å CdTe well. The negative differential resistance observed from MnTe/InSb resonant tunneling structures represents, to our knowledge, the first report of a dimensionally quantized state in InSb.

  1. Formation of large voids in the amorphous phase-change memory Ge2Sb2Te5 alloy.

    PubMed

    Sun, Zhimei; Zhou, Jian; Blomqvist, Andreas; Johansson, Börje; Ahuja, Rajeev

    2009-02-20

    On the basis of ab initio molecular dynamics simulations, large voids mainly surrounded by Te atoms are observed in molten and amorphous Ge2Sb2Te5, which is due to the clustering of two- and threefold coordinated Te atoms. Furthermore, pressure shows a significant effect on the clustering of the under coordinated Te atoms and hence the formation of large voids. The present results demonstrate that both vacancies and Te play an important role in the fast reversible phase transition process. PMID:19257687

  2. Nanoscale morphology of multilayer PbTe/CdTe heterostructures and its effect on photoluminescence properties

    NASA Astrophysics Data System (ADS)

    Karczewski, G.; Szot, M.; Kret, S.; Kowalczyk, L.; Chusnutdinow, S.; Wojtowicz, T.; Schreyeck, S.; Brunner, K.; Schumacher, C.; Molenkamp, L. W.

    2015-03-01

    We study nanoscale morphology of PbTe/CdTe multilayer heterostuctures grown by molecular beam epitaxy on hybrid GaAs/CdTe (100) substrates. Nominally, the structures consist of 25 repetitions of subsequently deposited CdTe and PbTe layers with comparable thicknesses of 21 and 8 nm, respectively. However, the morphology of the resulting structures crucially depends on the growth temperature. The two-dimensional layered, superlattice-like character of the structures remains preserved only when grown at low substrate temperatures, such as 230 °C. The samples grown at the slightly elevated temperature of 270 °C undergo a morphological transformation to structures consisting of CdTe and PbTe pillars and columns oriented perpendicular to the substrate. Although the pillar-like objects are of various shapes and dimensions these structures exhibit exceptionally strong photoluminescence in the near infrared spectral region. At the higher growth temperature of 310 °C, PbTe and CdTe separate completely forming thick layers oriented longitudinally to the substrate plane. The observed topological transformations are driven by thermally activated atomic diffusion in the solid state phase. The solid state phase remains fully coherent during the processes. The observed topological transitions leading to the material separation in PbTe/CdTe system could be regarded as an analog of spinodal decomposition of an immiscible solid state solution and thus they can be qualitatively described by the Cahn-Hillard model as proposed by Groiss et al (2014 APL Mater. 2 012105).

  3. Electronic properties of aluminum/CdZnTe interfaces

    NASA Astrophysics Data System (ADS)

    Bai, Xuxu; Jie, Wanqi; Zha, Gangqiang; Zhang, Wenhua; Zhu, Junfa; Wang, Tao; Qian, Dong; Liu, Ying; Jia, Jinfeng

    2013-05-01

    Understanding complex correlations between the macroscopic device performance and the contact formation on the atomic level in CdZnTe radiation detectors remains an enormous challenge. In this work, an effort towards bridging that macro-nano knowledge gap is made by systematic study of the electronic structures in the interface of Al/CdZnTe(111)A and Al/CdZnTe(111)B with Al coverage from sub-monolayer to multilayers using photoemission spectroscopy. Remarkable difference of the electronic states was found in these two interfaces. A strong interaction between Al and CdZnTe(111)A was observed at room temperature and thick interface layers (>12 nm) formed. In contrast, an intermix layer with a thickness of about one atomic layer (˜0.3 nm) was formed at Al/CdZnTe(111)B interface.

  4. Coherent phonon study of (GeTe)l(Sb2Te3)m interfacial phase change memory materials

    NASA Astrophysics Data System (ADS)

    Makino, Kotaro; Saito, Yuta; Fons, Paul; Kolobov, Alexander V.; Nakano, Takashi; Tominaga, Junji; Hase, Muneaki

    2014-10-01

    The time-resolved reflectivity measurements were carried out on the interfacial phase change memory (iPCM) materials ([(GeTe)2(Sb2Te3)4]8 and [(GeTe)2(Sb2Te3)1]20) as well as conventional Ge2Sb2Te5 alloy at room temperature and above the RESET-SET phase transition temperature. In the high-temperature phase, coherent phonons were clearly observed in the iPCM samples while drastic attenuation of coherent phonons was induced in the alloy. This difference strongly suggests the atomic rearrangement during the phase transition in iPCMs is much smaller than that in the alloy. These results are consistent with the unique phase transition model in which a quasi-one-dimensional displacement of Ge atoms occurs for iPCMs and a conventional amorphous-crystalline phase transition takes place for the alloy.

  5. Polymorphism in Thermoelectric As2Te3.

    PubMed

    Morin, Cedric; Corallini, Serena; Carreaud, Julie; Vaney, Jean-Baptiste; Delaizir, Gaelle; Crivello, Jean-Claude; Lopes, Elsa Branco; Piarristeguy, Andrea; Monnier, Judith; Candolfi, Christophe; Nassif, Vivian; Cuello, Gabriel Julio; Pradel, Annie; Goncalves, Antonio Pereira; Lenoir, Bertrand; Alleno, Eric

    2015-10-19

    Metastable β-As2Te3 (R3̅m, a = 4.047 Å and c = 29.492 Å at 300 K) is isostructural to layered Bi2Te3 and is known for similarly displaying good thermoelectric properties around 400 K. Crystallizing glassy-As2Te3 leads to multiphase samples, while β-As2Te3 could indeed be synthesized with good phase purity (97%) by melt quenching. As expected, β-As2Te3 reconstructively transforms into stable α-As2Te3 (C2/m, a = 14.337 Å, b = 4.015 Å, c = 9.887 Å, and β = 95.06°) at 480 K. This β → α transformation can be seen as the displacement of part of the As atoms from their As2Te3 layers into the van der Waals bonding interspace. Upon cooling, β-As2Te3 displacively transforms in two steps below T(S1) = 205-210 K and T(S2) = 193-197 K into a new β'-As2Te3 allotrope. These reversible and first-order phase transitions give rise to anomalies in the resistance and in the calorimetry measurements. The new monoclinic β'-As2Te3 crystal structure (P2(1)/m, a = 6.982 Å, b = 16.187 Å, c = 10.232 Å, β = 103.46° at 20 K) was solved from Rietveld refinements of X-ray and neutron powder patterns collected at low temperatures. These analyses showed that the distortion undergone by β-As2Te3 is accompanied by a 4-fold modulation along its b axis. In agreement with our experimental results, electronic structure calculations indicate that all three structures are semiconducting with the α-phase being the most stable one and the β'-phase being more stable than the β-phase. These calculations also confirm the occurrence of a van der Waals interspace between covalently bonded As2Te3 layers in all three structures. PMID:26418840

  6. Discovery of new monolayer material Nb3SiTe6

    NASA Astrophysics Data System (ADS)

    Hu, Jin; Liu, Xue; Yue, Chunlei; Mao, Zhiqiang; Wei, Jiang

    2014-03-01

    The discovery of atomically-thin materials, such as graphene and monolayer transition metal dichalcogenides, has ushered in a new era of low-dimensional physics. Due to the quantum confinement effect in reduced dimensionality, the electronic structures of monolayer materials are reconstructed, leading to exotic physical properties such as Dirac fermions in graphene, large direct band gap and valley-spin coupling in MoS2. Recently we prepared a new monolayer form of a complex material Nb3SiTe6. Nb3SiTe6 possesses a tetragonal structure with each Nb-Si lattice sheet sandwiched by two Te layers. The Te-Nb/Si-Te layers are coupled by Van der Waals gap. Similar to MoS2, within Te-Nb/Si-Te layers each Nb forms six bonds with Te atoms, forming trigonal prismatic coordination. We successfully obtained mono-layer Nb3SiTe6 using micro-mechanical exfoliate technique. While bulk Nb3SiTe6 is metallic, the electronic properties of Nb3SiTe6 monolayer are expected to be distinct from those of bulk due to the quantum confinement effect. In this talk, we will report the preparation and electronic properties of Nb3SiTe6 monolayer. This success of preparing Nb3SiTe6 monolayer provides a new playground for studying low dimensional physics and nanotechnology.

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

    DOE PAGESBeta

    Lee, Inhee; Kim, Chung Koo; Lee, Jinho; Billinge, Simon J. L.; Zhong, Ruidan D.; Schneeloch, John A.; Liu, Tiansheng S.; Valla, Tonica; Tranquada, John M.; Gu, Genda D.; et al

    2015-01-20

    To achieve and use the most exotic electronic phenomena predicted for the surface states of 3D topological insulators (TIs), it is necessary to open a “Dirac-mass gap” in their spectrum by breaking time-reversal symmetry. Use of magnetic dopant atoms to generate a ferromagnetic state is the most widely applied approach. However, it is unknown how the spatial arrangements of the magnetic dopant atoms influence the Dirac-mass gap at the atomic scale or, conversely, whether the ferromagnetic interactions between dopant atoms are influenced by the topological surface states. Here we image the locations of the magnetic (Cr) dopant atoms in themore » ferromagnetic TI Cr₀.₀₈(Bi₀.₁Sb₀.₉)₁.₉₂Te₃. Simultaneous visualization of the Dirac-mass gap Δ(r) reveals its intense disorder, which we demonstrate is directly related to fluctuations in n(r), the Cr atom areal density in the termination layer. We find the relationship of surface-state Fermi wavevectors to the anisotropic structure of Δ(r) not inconsistent with predictions for surface ferromagnetism mediated by those states. Moreover, despite the intense Dirac-mass disorder, the anticipated relationship Δ(r)∝n(r) is confirmed throughout and exhibits an electron–dopant interaction energy J* = 145 meV·nm². In addition, these observations reveal how magnetic dopant atoms actually generate the TI mass gap locally and that, to achieve the novel physics expected of time-reversal symmetry breaking TI materials, control of the resulting Dirac-mass gap disorder will be essential.« less

  8. Molecular beam epitaxy and characterizations of PbTe grown on GaAs(211) substrates using CdTe/ZnTe buffers

    NASA Astrophysics Data System (ADS)

    Shu, Tianyu; Lu, Pengqi; Zhang, Bingpo; Wang, Miao; Chen, Lu; Fu, Xiangliang; Xu, Gangyi; Wu, Huizhen

    2015-06-01

    Narrow-gap semiconductor PbTe has exhibited versatility in both mid-infrared optoelelctronics and thermoelectrics. However, the absence of commercially obtainable PbTe crystal substrates limits its wide applications. In this paper, heteroepitaxy of high-quality PbTe crystal on GaAs(211) using CdTe/ZnTe buffers by molecular beam epitaxy is presented for the first time. Optimal growth parameters have been obtained by both in-situ and ex-situ characterizations. In-situ reflection high-energy electron diffraction observed a transition of growth mode from 2D to 3D, which is in agreement with the results of atomic force microscope and scanning electron microscope characterizations. High resolution X-ray diffraction revealed that the growth of PbTe crystal is along [531] direction which is different from the [211] substrate orientation. Multiple phonon modes related to PbTe were observed by Raman scattering while mid-infrared light emission from epitaxial PbTe is observed at a peak of 3.5 μm by photoluminescence. Different from PbTe grown on BaF2(111), n-type conductivity with electron densities of ~5×1017 cm-3 and mobilities of 675 cm2/V s at room temperature and 4300 cm2/V s at 2 K is observed. The high quality PbTe grown on GaAs(211) substrates using CdTe/ZnTe buffers renders promising applications in both optoelectronics and thermoelectrics.

  9. 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.

  10. Liquid atomization

    NASA Astrophysics Data System (ADS)

    Bayvel, L.; Orzechowski, Z.

    The present text defines the physical processes of liquid atomization, the primary types of atomizers and their design, and ways of measuring spray characteristics; it also presents experimental investigation results on atomizers and illustrative applications for them. Attention is given to the macrostructural and microstructural parameters of atomized liquids; swirl, pneumatic, and rotary atomizers; and optical drop sizing methods, with emphasis on nonintrusive optical methods.

  11. Theoretical study of intrinsic defects in CdTe

    NASA Astrophysics Data System (ADS)

    Menéndez-Proupin, E.; Orellana, W.

    2016-05-01

    The quantum states and thermodynamical properties of the Cd and Te vacancies in CdTe are studied by first principles calculations. It is shown that the band structure of a cubic 64-atoms supercell with a Te vacancy is dramatically different from the band structure of the perfect crystal, suggesting that it cannot be used as model to calculate isolated defects. This flaw is solved modeling the Te vacancy within a cubic 216-atoms supercell. However, even with this large supercell, the 2— charge state relaxes to an incorrect distorted structure. This distortion is driven by partial filling of the conduction band induced by the k-point sampling. The correct structures and formation energies are obtained by relaxation with restriction of system symmetry, followed by band-filling correction to the energy, or by using a larger supercell that allows sampling the Brillouin zone with a single k-point.

  12. Microstructural Investigation of SexTe100-x Thin Films Deposited on Si(100) Substrates by X-ray Diffractometer and Transmission Electron Microscopy Analysis

    NASA Astrophysics Data System (ADS)

    Kim, Eun Tae; Lee, Jeong Yong; Kim, Yong Tae

    2007-11-01

    The microstructural properties of SexTe100-x (x=16,29,38) thin films are investigated by X-ray diffraction (XRD) and transmission electron microscopy (TEM) analysis. SexTe100-x thin films have a Te hexagonal structure and Te{011} interplanar spacing decreases because some Se atoms occupy Te atomic sites, forming Se helical chains within the Te helical chains. By increasing the Se contents from 16 to 29 at. %, Se5.95Te1.05 monoclinic and Se hexagonal structures coexist in a grain and at 38 at. %, a Se hexagonal structure is observed within the Te hexagonal grain. This means that SexTe100-x thin films maintain the Te hexagonal structure and that phase separation does not occur owing to the short diffusion time.

  13. Na2TeS3, Na2TeSe3-mP24, and Na2TeSe3-mC48: Crystal Structures and Optical and Electrical Properties of Sodium Chalcogenidotellurates(IV).

    PubMed

    Pompe, Constantin; Preitschaft, Christian; Weihrich, Richard; Pfitzner, Arno

    2015-12-01

    Pure samples of Na2TeS3 and Na2TeSe3 were synthesized by the reactions of stoichiometric amounts of the elements Na, Te, and Q (Q = S, Se) in the ratio 2:1:3. Both compounds are highly air- and moisture-sensitive. The crystal structures were determined by single-crystal X-ray diffraction. Yellow Na2TeS3 crystallizes in the space group P21/c. Na2TeSe3 exists in a low-temperature modification (Na2TeSe3-mP24, space group P21/c) and a high-temperature modification (Na2TeSe3-mC48, space group C2/c); both modifications are red. Density functional theory calculations confirmed the coexistence of both modifications of Na2TeSe3 because they are very close in energy (ΔE = 0.18 kJ mol(-1)). To the contrary, hypothetic Na2TeS3-mC48 is significantly less favored (ΔE = 1.8 kJ mol(-1)) than the primitive modification. Na2TeS3 and Na2TeSe3-mP24 are isotypic to Li2TeS3, whereas Na2TeSe3-mC48 crystallizes in its own structure type, which was first described by Eisenmann and Zagler. The title compounds have two common structure motifs. Trigonal TeQ3 pyramids form layers, and the Na atoms are surrounded by a distorted octahedral environment of chalcogen atoms. Raman spectra are dominated by the vibration modes of the TeQ3 units. The activation energies of the total conductivity of the title compounds range between 0.68 eV (Na2TeS3) and 1.1 eV (Na2TeSe3). Direct principal band gaps of 1.20 and 1.72 eV were calculated for Na2TeSe3 and Na2TeS3, respectively. The optical band gaps are in the range from 1.38 eV for Li2TeSe3 to 2.35 eV for Na2TeS3. PMID:26600068

  14. A DETAILED STUDY OF THE MOLECULAR AND ATOMIC GAS TOWARD THE {gamma}-RAY SUPERNOVA REMNANT RX J1713.7-3946: SPATIAL TeV {gamma}-RAY AND INTERSTELLAR MEDIUM GAS CORRESPONDENCE

    SciTech Connect

    Fukui, Y.; Sano, H.; Sato, J.; Torii, K.; Horachi, H.; Hayakawa, T.; Inutsuka, S.; Kawamura, A.; Yamamoto, H.; Okuda, T.; Mizuno, N.; Onishi, T.; McClure-Griffiths, N. M.; Rowell, G.; Inoue, T.; Mizuno, A.; Ogawa, H.

    2012-02-10

    RX J1713.7-3946 is the most remarkable TeV {gamma}-ray supernova remnant (SNR) that emits {gamma}-rays in the highest energy range. We have made a new combined analysis of CO and H I in the SNR and derived the total protons in the interstellar medium (ISM). We have found that the inclusion of the H I gas provides a significantly better spatial match between the TeV {gamma}-rays and ISM protons than the H{sub 2} gas alone. In particular, the southeastern rim of the {gamma}-ray shell has a counterpart only in the H I. The finding shows that the ISM proton distribution is consistent with the hadronic scenario that cosmic-ray (CR) protons react with ISM protons to produce the {gamma}-rays. This provides another step forward for the hadronic origin of the {gamma}-rays by offering one of the necessary conditions missing in the previous hadronic interpretations. We argue that the highly inhomogeneous distribution of the ISM protons is crucial in the origin of the {gamma}-rays. Most of the neutral gas was likely swept up by the stellar wind of an OB star prior to the supernova (SN) explosion to form a low-density cavity and a swept-up dense wall. The cavity explains the low-density site where the diffusive shock acceleration of charged particles takes place with suppressed thermal X-rays, whereas the CR protons can reach the target protons in the wall to produce the {gamma}-rays. The present finding allows us to estimate the total CR proton energy to be {approx}10{sup 48} erg, 0.1% of the total energy of the SN explosion.

  15. APT mass spectrometry and SEM data for CdTe solar cells

    DOE PAGESBeta

    Li, Chen; Paudel, Naba R.; Yan, Yanfa; Pennycook, Stephen J.; Poplawsky, Jonathan D.; Guo, Wei

    2016-03-16

    Atom probe tomography (APT) data acquired from a CAMECA LEAP 4000 XHR for the CdS/CdTe interface for a non-CdCl2 treated CdTe solar cell as well as the mass spectrum of an APT data set including a GB in a CdCl2-treated CdTe solar cell are presented. Scanning electron microscopy (SEM) data showing the evolution of sample preparation for APT and scanning transmission electron microscopy (STEM) electron beam induced current (EBIC) are also presented. As a result, these data show mass spectrometry peak decomposition of Cu and Te within an APT dataset, the CdS/CdTe interface of an untreated CdTe solar cell, preparationmore » of APT needles from the CdS/CdTe interface in superstrate grown CdTe solar cells, and the preparation of a cross-sectional STEM EBIC sample.« less

  16. Optical properties versus growth conditions of CdTe submonolayers inserted in ZnTe quantum wells

    NASA Astrophysics Data System (ADS)

    Calvo, Vincent; Magnea, Noël; Taliercio, Thierry; Lefebvre, Pierre; Allègre, Jacques; Mathieu, Henry

    1998-12-01

    Standard and piezomodulated optical spectroscopy is performed on ZnTe quantum wells embedding integer and fractional monolayers of CdTe. The samples, grown in a molecular-beam-epitaxy setup on the (001) surface of ZnTe substrates, all basically consist of 120-ML-wide ZnTe/(Zn,Mg)Te quantum wells, and some of them contain five equally spaced full or half-monolayers of CdTe, producing monomolecular islands of CdTe ``buried'' in the wide host ZnTe well. The latter behave as efficient recombination centers for excitons. In order to change the size and the configuration of the islands, various growth parameters have been changed between the different samples, e.g., the growth process (molecular-beam epitaxy of binaries or ternaries, or atomic-layer epitaxy) or the temperature. From spectroscopic measurements, the influence of these parameters is analyzed in detail, in terms of the size of the islands and of their in-plane spacing, or of the vertical correlation between these islands. The internal strain state of the CdTe insertions and the overall photoluminescence efficiency are also studied versus growth conditions.

  17. Atomic Disorder in Tetrahedrite

    NASA Astrophysics Data System (ADS)

    Salasin, John Robert; Chakoumakos, Bryan; Rawn, Claudia; May, Andrew; Lara-Curzio, Edgar; McGuire, Michael; Cao, Huibo

    2015-03-01

    Thermoelectrics (TE) are materials which turn heat energy into electrical energy with applications spanning multiple disciplines including space exploration, Peltier cooling, and engine efficiency. Tetrahedrite is a copper sulfosalt with the general formula Cu12-xMx(Sb,As)4S13. Where M denotes a Cu2+ site frequently replaced in natural tetrahedrite with Zn, Fe, Hg, or Mn. It has a cubic structure with an I-43m symmetry, a = 10.4 Å, and only a handful of adjustable parameters. This structural study corroborates theoretical calculations on atomic disorder. Positional disorder of the trigonally coordinated Cu(2) site is suggested from the temperature dependence of the atomic displacement parameters determine from single-crystal x-ray and neutron diffraction. The displacements are extremely anisotropic for Cu(2) with a maximum rms static displacement of ~ 0.25 Å.

  18. Exploration of GaTe for Gamma Detectors

    SciTech Connect

    Conway, A M; Reinhardt, C E; Nikolic, R J; Nelson, A J; Wang, T F; Wu, K J; Payne, S A; Mertiri, A; Pabst, G; Roy, R; Mandal, K C; Bhattacharya, P; Cui, Y; Groza, M; Burger, A

    2007-11-16

    The layered III-VI semiconductor Gallium Telluride has potential for room temperature gamma ray spectroscopy applications due to its band gap of 1.67 eV, and average atomic number of 45:31 (Ga) and 52 (Te). The physical properties of GaTe are highly anisotropic due to covalent bonding within the layer and van der Waals bonding between layers. This work reports the results of surface and bulk processing, surface characterization, and electrical characterization of diodes formed on both the laminar and non-laminar GaTe surfaces. Alpha detection measurements were also performed.

  19. 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%.

  20. Anisotropic magnetic responses of a 2D-superconducting Bi2Te3/FeTe heterostructure.

    PubMed

    He, Qing Lin; He, Mingquan; Shen, Junying; Lai, Ying Hoi; Liu, Yi; Liu, Hongchao; He, Hongtao; Wang, Gan; Wang, Jiannong; Lortz, Rolf; Sou, Iam Keong

    2015-09-01

    We have investigated the anisotropic magnetic responses of a 2D-superconducting Bi2Te3/FeTe heterostructure. Cross-sectional STEM imaging revealed that the excess Fe atoms in the FeTe layer occupy specific interstitial sites. They were found to show strong anisotropic magnetic responses under a magnetic field either perpendicular or parallel to the sample surface. Under perpendicular magnetic fields within 1000 Oe, conventional paramagnetic Meissner effect, superconducting diamagnetism, and anomalous enhancement of magnetization successively occur as the magnetic field increases. In contrast, under parallel magnetic fields, superconducting diamagnetism was not observed explicitly in the magnetization measurements and the anomalous enhancement of magnetization appears only for fields higher than 1000 Oe. The observed strong magnetic anisotropy provides further evidence that the induced superconductivity at the interface of the Bi2Te3/FeTe heterostucture has a 2D nature. PMID:26252506

  1. Anisotropic magnetic responses of a 2D-superconducting Bi2Te3/FeTe heterostructure

    NASA Astrophysics Data System (ADS)

    He, Qing Lin; He, Mingquan; Shen, Junying; Lai, Ying Hoi; Liu, Yi; Liu, Hongchao; He, Hongtao; Wang, Gan; Wang, Jiannong; Lortz, Rolf; Keong Sou, Iam

    2015-09-01

    We have investigated the anisotropic magnetic responses of a 2D-superconducting Bi2Te3/FeTe heterostructure. Cross-sectional STEM imaging revealed that the excess Fe atoms in the FeTe layer occupy specific interstitial sites. They were found to show strong anisotropic magnetic responses under a magnetic field either perpendicular or parallel to the sample surface. Under perpendicular magnetic fields within 1000 Oe, conventional paramagnetic Meissner effect, superconducting diamagnetism, and anomalous enhancement of magnetization successively occur as the magnetic field increases. In contrast, under parallel magnetic fields, superconducting diamagnetism was not observed explicitly in the magnetization measurements and the anomalous enhancement of magnetization appears only for fields higher than 1000 Oe. The observed strong magnetic anisotropy provides further evidence that the induced superconductivity at the interface of the Bi2Te3/FeTe heterostucture has a 2D nature.

  2. Coexistence of optically active radial and axial CdTe insertions in single ZnTe nanowire.

    PubMed

    Wojnar, P; Płachta, J; Zaleszczyk, W; Kret, S; Sanchez, Ana M; Rudniewski, R; Raczkowska, K; Szymura, M; Karczewski, G; Baczewski, L T; Pietruczik, A; Wojtowicz, T; Kossut, J

    2016-03-14

    We report on the growth, cathodoluminescence and micro-photoluminescence of individual radial and axial CdTe insertions in ZnTe nanowires. In particular, the cathodoluminescence technique is used to determine the position of each emitting object inside the nanowire. It is demonstrated that depending on the CdTe deposition temperature, one can obtain an emission either from axial CdTe insertions only, or from both, radial and axial heterostructures, simultaneously. At 350 °C CdTe grows only axially, whereas at 310 °C and 290 °C, there is also significant deposition on the nanowire sidewalls resulting in radial core/shell heterostructures. The presence of Cd atoms on the sidewalls is confirmed by energy dispersive X-ray spectroscopy. Micro-photoluminescence study reveals a strong linear polarization of the emission from both types of heterostructures in the direction along the nanowire axis. PMID:26903109

  3. Crystal Structure of Te 2O 3F 2

    NASA Astrophysics Data System (ADS)

    Ider, A.; Laval, J. P.; Frit, B.; Carré, J.; Bastide, J. P.

    1996-04-01

    Te2O3F2crystallizes with the triclinic symmetry (space groupP-1) and the unit cell parametersa= 515.3(1) pm,b= 625.7(1) pm,c= 688.8(1) pm, α = 98.71(1)°, β = 110.31(1)°, γ = 92.72(1)°,Z= 2. Its structure was solved and refined toRvaluesR1= 0.024 and wR2= 0.059 on the basis of 699 independent reflections recorded on a single crystal with an automatic four-circle diffractometer. The two Te atoms are, respectively, fourfold and fivefold coordinated and their lone pairEis stereochemically active. The bond valence calculation shows a perfect O/F order. The Te(1)O3FEand Te(2)O4FEpolyhedra form, by sharing O-O edges, bipolyhedral units with a very short Te-Te distance (319 pm). These units, by sharing corners, constitute independent sheets parallel tox0y. All the F atoms are nonbridging and orientated, together with the lone pairsE, toward the interlayer space. The structural relationships with the α-TeO2structure have been evidenced and analyzed.

  4. Coexistence of optically active radial and axial CdTe insertions in single ZnTe nanowire

    NASA Astrophysics Data System (ADS)

    Wojnar, P.; Płachta, J.; Zaleszczyk, W.; Kret, S.; Sanchez, Ana M.; Rudniewski, R.; Raczkowska, K.; Szymura, M.; Karczewski, G.; Baczewski, L. T.; Pietruczik, A.; Wojtowicz, T.; Kossut, J.

    2016-03-01

    We report on the growth, cathodoluminescence and micro-photoluminescence of individual radial and axial CdTe insertions in ZnTe nanowires. In particular, the cathodoluminescence technique is used to determine the position of each emitting object inside the nanowire. It is demonstrated that depending on the CdTe deposition temperature, one can obtain an emission either from axial CdTe insertions only, or from both, radial and axial heterostructures, simultaneously. At 350 °C CdTe grows only axially, whereas at 310 °C and 290 °C, there is also significant deposition on the nanowire sidewalls resulting in radial core/shell heterostructures. The presence of Cd atoms on the sidewalls is confirmed by energy dispersive X-ray spectroscopy. Micro-photoluminescence study reveals a strong linear polarization of the emission from both types of heterostructures in the direction along the nanowire axis.We report on the growth, cathodoluminescence and micro-photoluminescence of individual radial and axial CdTe insertions in ZnTe nanowires. In particular, the cathodoluminescence technique is used to determine the position of each emitting object inside the nanowire. It is demonstrated that depending on the CdTe deposition temperature, one can obtain an emission either from axial CdTe insertions only, or from both, radial and axial heterostructures, simultaneously. At 350 °C CdTe grows only axially, whereas at 310 °C and 290 °C, there is also significant deposition on the nanowire sidewalls resulting in radial core/shell heterostructures. The presence of Cd atoms on the sidewalls is confirmed by energy dispersive X-ray spectroscopy. Micro-photoluminescence study reveals a strong linear polarization of the emission from both types of heterostructures in the direction along the nanowire axis. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr08806b

  5. Bi 2Te 3-Te nanocomposite formed by epitaxial growth of Bi 2Te 3 sheets on Te rod

    NASA Astrophysics Data System (ADS)

    Deng, Yuan; Cui, Chang-Wei; Zhang, Ni-La; Ji, Tian-Hao; Yang, Qing-Lin; Guo, Lin

    2006-05-01

    Single-crystal Bi 2Te 3-Te nanocomposites with heterostructure were synthesized using a two-step solvothermal process in the presence of ethylenediaminetetraacetic acid disodium salt. The first step is the formation of the Te nanorods and the second step is to grow the Bi 2Te 3 sheets off the Te rods surface to form the Bi 2Te 3-Te nanocomposites. The products were characterized by X-ray diffraction, scanning electron microscopy and transmission electron microscopy. We demonstrate a method of an epitaxial growth of Bi 2Te 3 nanosheets perpendicular to the axis of the central Te rod and a formation process of Bi 2Te 3-Te nanocomposites is also proposed.

  6. 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.

  7. Atomic polarizabilities

    SciTech Connect

    Safronova, M. S.; Mitroy, J.; Clark, Charles W.; Kozlov, M. G.

    2015-01-22

    The atomic dipole polarizability governs the first-order response of an atom to an applied electric field. Atomic polarization phenomena impinge upon a number of areas and processes in physics and have been the subject of considerable interest and heightened importance in recent years. In this paper, we will summarize some of the recent applications of atomic polarizability studies. A summary of results for polarizabilities of noble gases, monovalent, and divalent atoms is given. The development of the CI+all-order method that combines configuration interaction and linearized coupled-cluster approaches is discussed.

  8. Pseudogap and proximity effect in the Bi2Te3/Fe1+yTe interfacial superconductor.

    PubMed

    He, M Q; Shen, J Y; Petrović, A P; He, Q L; Liu, H C; Zheng, Y; Wong, C H; Chen, Q H; Wang, J N; Law, K T; Sou, I K; Lortz, R

    2016-01-01

    In the interfacial superconductor Bi2Te3/Fe1+yTe, two dimensional superconductivity occurs in direct vicinity to the surface state of a topological insulator. If this state were to become involved in superconductivity, under certain conditions a topological superconducting state could be formed, which is of high interest due to the possibility of creating Majorana fermionic states. We report directional point-contact spectroscopy data on the novel Bi2Te3/Fe1+yTe interfacial superconductor for a Bi2Te3 thickness of 9 quintuple layers, bonded by van der Waals epitaxy to a Fe1+yTe film at an atomically sharp interface. Our data show highly unconventional superconductivity, which appears as complex as in the cuprate high temperature superconductors. A very large superconducting twin-gap structure is replaced by a pseudogap above ~12 K which persists up to 40 K. While the larger gap shows unconventional order parameter symmetry and is attributed to a thin FeTe layer in proximity to the interface, the smaller gap is associated with superconductivity induced via the proximity effect in the topological insulator Bi2Te3. PMID:27587000

  9. Pseudogap and proximity effect in the Bi2Te3/Fe1+yTe interfacial superconductor

    PubMed Central

    He, M. Q.; Shen, J. Y.; Petrović, A. P.; He, Q. L.; Liu, H. C.; Zheng, Y.; Wong, C. H.; Chen, Q. H.; Wang, J. N.; Law, K. T.; Sou, I. K.; Lortz, R.

    2016-01-01

    In the interfacial superconductor Bi2Te3/Fe1+yTe, two dimensional superconductivity occurs in direct vicinity to the surface state of a topological insulator. If this state were to become involved in superconductivity, under certain conditions a topological superconducting state could be formed, which is of high interest due to the possibility of creating Majorana fermionic states. We report directional point-contact spectroscopy data on the novel Bi2Te3/Fe1+yTe interfacial superconductor for a Bi2Te3 thickness of 9 quintuple layers, bonded by van der Waals epitaxy to a Fe1+yTe film at an atomically sharp interface. Our data show highly unconventional superconductivity, which appears as complex as in the cuprate high temperature superconductors. A very large superconducting twin-gap structure is replaced by a pseudogap above ~12 K which persists up to 40 K. While the larger gap shows unconventional order parameter symmetry and is attributed to a thin FeTe layer in proximity to the interface, the smaller gap is associated with superconductivity induced via the proximity effect in the topological insulator Bi2Te3. PMID:27587000

  10. AsTeRICS.

    PubMed

    Drajsajtl, Tomáš; Struk, Petr; Bednárová, Alice

    2013-01-01

    AsTeRICS - "The Assistive Technology Rapid Integration & Construction Set" is a construction set for assistive technologies which can be adapted to the motor abilities of end-users. AsTeRICS allows access to different devices such as PCs, cell phones and smart home devices, with all of them integrated in a platform adapted as much as possible to each user. People with motor disabilities in the upper limbs, with no cognitive impairment, no perceptual limitations (neither visual nor auditory) and with basic skills in using technologies such as PCs, cell phones, electronic agendas, etc. have available a flexible and adaptable technology which enables them to access the Human-Machine-Interfaces (HMI) on the standard desktop and beyond. AsTeRICS provides graphical model design tools, a middleware and hardware support for the creation of tailored AT-solutions involving bioelectric signal acquisition, Brain-/Neural Computer Interfaces, Computer-Vision techniques and standardized actuator and device controls and allows combining several off-the-shelf AT-devices in every desired combination. Novel, end-user ready solutions can be created and adapted via a graphical editor without additional programming efforts. The AsTeRICS open-source framework provides resources for utilization and extension of the system to developers and researches. AsTeRICS was developed by the AsTeRICS project and was partially funded by EC. PMID:23739379

  11. Effects of Surface Composition on CdTe/CdS Device Performance

    SciTech Connect

    Levi, D.; Albin, D.; King, D.

    2000-01-01

    The atomic composition of the back surface of the CdTe layer in a CdTe/CdS photovoltiac (PV) device has a significant influence on the quality of the electrical contact to this layer. This paper reports the results of a systematic study that correlates the composition of the back surface with pre-contact processing and device performance.

  12. Surface energies for molecular beam epitaxy growth of HgTe and CdTe

    NASA Astrophysics Data System (ADS)

    Berding, M. A.; Krishnamurthy, Srinivasan; Sher, A.

    1991-10-01

    We present results for the surface binding energies for HgTe and CdTe that will serve as input for molecular beam epitaxy growth models. We have found that the surface binding energies are surface orientation dependent and are not simply proportional to the number of first-neighbor bonds being made to the underlying layer. Moreover, because of the possibility of charge transfer between cation and anion surface states, one may have large differences between the binding energy for the first and the last atom in a given layer, and these differences will be different for the narrow-gap, less ionic materials than for the wide gap, ionic materials. We also find that the surface states associated with an isolated surface atom or vacancy are extended in materials with small gaps and small effective masses, and thus call into question the modeling of surface binding by simple pair interactions.

  13. The deviation from a stoichiometry and the amphoteric behaviour of Ga in PbTe/Si films

    NASA Astrophysics Data System (ADS)

    Samoylov, A. M.; Belenko, S. V.; Sharov, M. K.; Dolgopolova, E. A.; Zlomanov, V. P.

    2012-07-01

    The experimental results, which have been received during the examination of the crystal structure and electronic properties of PbTe/Si heterostructures doped with Ga by means of two different techniques, are systematised in this study. The first doping procedure is based on the two-zone annealing of previously formed by modified HWE technique PbTe/Si heterostructures in the saturated vapour which corresponds to the three-phase equilibrium L1-GaTe(S)-V in Ga-Te binary system. The second method of preparation of PbTe/Si heterostructures offers the direct one stage synthesis, in which the doping and the layer condensation processes proceed simultaneously. The experimental results clearly demonstrate the different character in the charge carrier densities evolutions with the Ga impurity concentration for PbTe/Si films prepared by these techniques. The measurements of conductivity and Hall coefficient have shown that Ga atoms behave as the donor impurities only in PbTe/Si films with little excess of Te, which were fabricated by vapour phase doping. On the contrary, in PbTe films prepared by a direct one-stage synthesis the character of electrical activity of Ga impurities depends upon both the concentration and the deviation from stoichiometry. It has been found that the Pb1-yGayTe1+δ films with yGa>0.015, which are heterogeneous and consist of two (PbTe+GaTe) or three phases (PbTe+GaTe+Ga2Te3) have the best sensitivity to IR radiation. In the scope of quasi chemical approach it is possible to explain the complicated amphoteric behaviour of Ga atoms by different mechanisms of substitution (GaPb×, GaPb1- and GaPb1+) or implantation (Gai3+) of impurity atoms in the PbTe crystal structure.

  14. Magnetoluminescence of CdTe/MnTe/CdMgTe heterostructures with ultrathin MnTe layers

    SciTech Connect

    Agekyan, V. F.; Holz, P. O.; Karczewski, G.; Katz, V. N.; Moskalenko, E. S.; Serov, A. Yu.; Filosofov, N. G.

    2011-10-15

    CdTe/MnTe/CdMgTe quantum-well structures with one or two monolayers of MnTe inserted at CdTe/CdMgTe interfaces were fabricated. The spectra of the excitonic luminescence from CdTe quantum wells and their variation with temperature indicate that introduction of ultrathin MnTe layers improves the interface quality. The effect of a magnetic field in the Faraday configuration on the spectral position of the exciton-emission peaks indicates that frustration of magnetic moments in one-monolayer MnTe insertions is weaker than in two-monolayer insertions. The effect of a magnetic field on the exciton localization can be explained in terms of the exciton wave-function shrinkage and obstruction of the photoexcited charge-carrier motion in the quantum well.

  15. Atomic supersymmetry

    NASA Technical Reports Server (NTRS)

    Kostelecky, V. Alan

    1993-01-01

    Atomic supersymmetry is a quantum-mechanical supersymmetry connecting the properties of different atoms and ions. A short description of some established results in the subject are provided and a few recent developments are discussed including the extension to parabolic coordinates and the calculation of Stark maps using supersymmetry-based models.

  16. Atomic Calligraphy

    NASA Astrophysics Data System (ADS)

    Imboden, Matthias; Pardo, Flavio; Bolle, Cristian; Han, Han; Tareen, Ammar; Chang, Jackson; Christopher, Jason; Corman, Benjamin; Bishop, David

    2013-03-01

    Here we present a MEMS based method to fabricate devices with a small number of atoms. In standard semiconductor fabrication, a large amount of material is deposited, after which etching removes what is not wanted. This technique breaks down for structures that approach the single atom limit, as it is inconceivable to etch away all but one atom. What is needed is a bottom up method with single or near single atom precision. We demonstrate a MEMS device that enables nanometer position controlled deposition of gold atoms. A digitally driven plate is swept as a flux of gold atoms passes through an aperture. Appling voltages on four comb capacitors connected to the central plate by tethers enable nanometer lateral precision in the xy plane over 15x15 sq. microns. Typical MEMS structures have manufacturing resolutions on the order of a micron. Using a FIB it is possible to mill apertures as small as 10 nm in diameter. Assuming a low incident atomic flux, as well as an integrated MEMS based shutter with microsecond response time, it becomes possible to deposit single atoms. Due to their small size and low power consumption, such nano-printers can be mounted directly in a cryogenic system at ultrahigh vacuum to deposit clean quench condensed metallic structures.

  17. Zn2(TeO3)Br2

    PubMed Central

    Zhang, Dong; Johnsson, Mats

    2008-01-01

    Single crystals of dizinc tellurium dibromide trioxide, Zn2(TeO3)Br2, were synthesized via a transport reaction in sealed evacuated silica tubes. The compound has a layered crystal structure in which the building units are [ZnO4Br] distorted square pyramids, [ZnO2Br2] distorted tetra­hedra, and [TeO3 E] tetra­hedra (E being the 5s 2 lone pair of Te4+) joined through sharing of edges and corners to form layers of no net charge. Bromine atoms and tellurium lone pairs protrude from the surfaces of each layer towards adjacent layers. This new compound Zn2(TeO3)Br2 is isostructural with the synthetic compounds Zn2(TeO3)Cl2, CuZn(TeO3)2, Co2(TeO3)Br2 and the mineral sophiite, Zn2(SeO3)Cl2. PMID:21202162

  18. Liquid atomization

    SciTech Connect

    Walzel, P. )

    1993-01-01

    A systematic review of different liquid atomizers is presented, accompanied by a discussion of various mechanisms of droplet formation in a gas atmosphere as a function of the liquid flow-regime and the geometry of the atomizer. Equations are presented for the calculation of the mean droplet-diameter. In many applications, details of the droplet size distribution are, also, important, e.g., approximate values of the breadth of the droplet formation are given. The efficiency of utilization of mechanical energy in droplet formation is indicated for the different types of atomizers. Atomization is used, in particular, for the following purposes: (1) atomization of fuels; (2) making granular products; (3) carrying out mass-transfer operations; and (4) coating of surfaces.

  19. Masses of Te130 and Xe130 and Double-β-Decay Q Value of Te130

    NASA Astrophysics Data System (ADS)

    Redshaw, Matthew; Mount, Brianna J.; Myers, Edmund G.; Avignone, Frank T., III

    2009-05-01

    The atomic masses of Te130 and Xe130 have been obtained by measuring cyclotron frequency ratios of pairs of triply charged ions simultaneously trapped in a Penning trap. The results, with 1 standard deviation uncertainty, are M(Te130)=129.906222744(16)u and M(Xe130)=129.903509351(15)u. From the mass difference the double-β-decay Q value of Te130 is determined to be Qββ(Te130)=2527.518(13)keV. This is a factor of 150 more precise than the result of the AME2003 [G. Audi , Nucl. Phys. A729, 337 (2003)NUPABL0375-947410.1016/j.nuclphysa.2003.11.003].

  20. Masses of {sup 130}Te and {sup 130}Xe and Double-{beta}-Decay Q Value of {sup 130}Te

    SciTech Connect

    Redshaw, Matthew; Mount, Brianna J.; Myers, Edmund G.; Avignone, Frank T. III

    2009-05-29

    The atomic masses of {sup 130}Te and {sup 130}Xe have been obtained by measuring cyclotron frequency ratios of pairs of triply charged ions simultaneously trapped in a Penning trap. The results, with 1 standard deviation uncertainty, are M({sup 130}Te)=129.906 222 744(16) u and M({sup 130}Xe)=129.903 509 351(15) u. From the mass difference the double-{beta}-decay Q value of {sup 130}Te is determined to be Q{sub {beta}}{sub {beta}}({sup 130}Te)=2527.518(13) keV. This is a factor of 150 more precise than the result of the AME2003 [G. Audi et al., Nucl. Phys. A729, 337 (2003)].

  1. Effect of the Thermal Conductivity on Resistive Switching in GeTe and Ge2Sb2Te5 Nanowires.

    PubMed

    Park, Sungjin; Park, Dambi; Jeong, Kwangsik; Kim, Taeok; Park, SeungJong; Ahn, Min; Yang, Won Jun; Han, Jeong Hwa; Jeong, Hong Sik; Jeon, Seong Gi; Song, Jae Yong; Cho, Mann-Ho

    2015-10-01

    The thermal conduction characteristics of GeTe and Ge2Sb2Te5(GST) nanowires were investigated using an optical method to determine the local temperature by Raman spectroscopy. Since the localization of surface charge in a single-crystalline nanostructure can enhance charge-phonon scattering, the thermal conductivity value (κ) of single crystalline GeTe and GST nanowires was decreased significantly to 1.44 Wm(-1) K(-1) for GeTe and 1.13 Wm(-1) K(-1) for GST, compared to reported values for polycrystalline structures. The SET-to-RESET state in single-crystalline GeTe and GST nanowires are characteristic of a memory device. Unlike previous reports using GeTe and GST nanowires, the SET-to-RESET characteristics showed a bipolar switching shape and no unipolar switching. In addition, after multiple cycles of operation, a significant change in morphology and composition was observed without any structural phase transition, indicating that atoms migrate toward the cathode or anode, depending on their electronegativities. This change caused by a field effect indicates that the structural phase transition does not occur in the case of GeTe and GST nanowires with a significantly lowered thermal conductivity and stable crystalline structure. Finally, the formation of voids and hillocks as the result of the electromigration critically degrades device reliability. PMID:26369988

  2. Structuring effect of heteroepitaxial CdHgTe/CdZnTe systems under irradiation with silver ions

    NASA Astrophysics Data System (ADS)

    Sizov, F. F.; Savkina, R. K.; Smirnov, A. B.; Udovytska, R. S.; Kladko, V. P.; Gudymenko, A. I.; Safryuk, N. V.; Lytvyn, O. S.

    2014-11-01

    The characteristics of a damaged layer of p-CdxHg1 - xTe/CdZnTe ( x ˜ 0.223) heterostructures after implantation by 100-keV silver ions with the implantation dose Q = 3.0 × 1013 cm-2 have been obtained using X-ray diffraction, atomic force microscopy, and electron microscopy. It has been found that, as a result of the ion implantation and subsequent annealing (75°C), a uniform array of nanostructures is formed on the surface of Hg(Cd)Te/Zn(Cd)Te samples. The X-ray diffraction patterns of the structurized Hg(Cd)Te/Zn(Cd)Te sample indicate the formation of polycrystalline Hg(Cd)Te phases of cubic structure with a composition x ˜ 0.20 and also oxide Ag2O in the subsurface (<100 nm) region of the host material. The observed effects of transformation of the defect-impurity system and structuring of the surface of the heteroepitaxial film of the low-energy-gap semiconductor have been explained using a deformation model.

  3. Surface Texture and Crystallinity Variation of ZnTe Epilayers Grown on the Step-Terrace Structure of the Sapphire Substrate

    NASA Astrophysics Data System (ADS)

    Nakasu, Taizo; Kizu, Takeru; Yamashita, Sotaro; Aiba, Takayuki; Hattori, Shota; Sun, Wei-Che; Taguri, Kosuke; Kazami, Fukino; Hashimoto, Yuki; Ozaki, Shun; Kobayashi, Masakazu; Asahi, Toshiaki

    2016-04-01

    ZnTe/sapphire heterostructures were focused, and ZnTe thin films were prepared on highly mismatched sapphire substrates by molecular beam epitaxy. A sapphire substrate possessing an atomically-smooth step-terrace structure was used to improve the crystallinity and morphology of the produced ZnTe film. The growth mode of the ZnTe thin film on a sapphire substrate with an atomically-smooth step-terrace structure was found to shift to a two-dimensional growth mode, and a ZnTe thin film possessing a flat surface was obtained. The crystallographic properties of the ZnTe film suggested that the resulting layer consisted of a single (111)-oriented domain. The photoluminescence property was also improved, and the interface lattice alignment between the ZnTe and sapphire was also affected by the atomically-smooth step-terrace structure.

  4. Atomic layer epitaxy

    NASA Astrophysics Data System (ADS)

    Goodman, Colin H. L.; Pessa, Markus V.

    1986-08-01

    Atomic layer epitaxy (ALE) is not so much a new technique for the preparation of thin films as a novel modification to existing methods of vapor-phase epitaxy, whether physical [e.g., evaporation, at one limit molecular-beam epitaxy (MBE)] or chemical [e.g., chloride epitaxy or metalorganic chemical vapor deposition (MOCVD)]. It is a self-regulatory process which, in its simplest form, produces one complete molecular layer of a compound per operational cycle, with a greater thickness being obtained by repeated cycling. There is no growth rate in ALE as in other crystal growth processes. So far ALE has been applied to rather few materials, but, in principle, it could have a quite general application. It has been used to prepare single-crystal overlayers of CdTe, (Cd,Mn)Te, GaAs and AlAs, a number of polycrystalline films and highly efficient electroluminescent thin-film displays based on ZnS:Mn. It could also offer particular advantages for the preparation of ultrathin films of precisely controlled thickness in the nanometer range and thus may have a special value for growing low-dimensional structures.

  5. The low-symmetry lanthanum(III) oxotellurate(IV), La10Te12O39

    PubMed Central

    Wang, Peng Li; Mozharivskyj, Yurij

    2013-01-01

    Single crystals of deca­lanthanum(III) dodeca­oxotellurate(IV), La10Te12O39, were obtained by reacting La2O3 and TeO2 in a CsCl flux. Its crystal structure can be viewed as a three-dimensional network of corner- and edge-sharing LaO8 polyhedra with TeIV atoms filling the inter­stitial sites. The TeIV atoms with their 5s 2 electron lone pairs distort the LaO8 polyhedra through variable Te—O bonds. Among the six unique Te sites, four of them define empty channels extending parallel to the a axis. The formation of these channels is a result of the stereochemically active electron lone pairs on the TeIV atoms. The atomic arrangement of the Te—O units can be understood on the basis of the valence shell electron pair repulsion (VSEPR) model. A certain degree of disorder is observed in the crystal structure. As a result, one of the five different La sites is split into two positions with an occupancy ratio of 0.875 (2):0.125 (2). Also, one of the oxygen sites is split into two positions in a 0.559 (13):0.441 (13) ratio, and one O site is half-occupied. Such disorder was observed in all measured La10Te12O39 crystals. PMID:23794967

  6. Growth of HgTe nanowires

    NASA Astrophysics Data System (ADS)

    Selvig, E.; Hadzialic, S.; Skauli, T.; Steen, H.; Hansen, V.; Trosdahl-Iversen, L.; van Rheenen, A. D.; Lorentzen, T.; Haakenaasen, R.

    2006-09-01

    HgTe nanowires nucleated by Au particles have been grown on Si and GaAs substrates by molecular beam epitaxy. The wires are polycrystalline. They evolve from crooked to straight during growth and have rounded to rectangular cross-sections. The widths are in the range 20-500 nm, with lengths up to 4 μm. The height of the nanowires is typically less than the width. The nanowires have been characterized by scanning electron microscopy, x-ray photoelectron spectroscopy, transmission electron microscopy and atomic force microscopy. The effects of substrate material, substrate preparation and growth conditions have been investigated.

  7. Synthesis and physical properties of the new layered ternary tellurides MIrTe 4 ( M = Nb, Ta), and the structure of NbIrTe 4

    NASA Astrophysics Data System (ADS)

    Mar, Arthur; Ibers, James A.

    1992-04-01

    Two new ternary transition-metal chalcogenides, niobium iridium tetratelluride (NbIrTe 4) and tantalum iridium tetratelluride (TaIrTe 4), have been prepared by reaction of the elemental powders at 1000°C. The structure of NbIrTe 4 has been determined by single-crystal X-ray diffraction methods. The compound crystallizes in space group C72 v- Pmn2 1 of the orthorhombic system with four formula units in a cell of dimensions a = 3.768(3), b = 12.486(10), c = 13.077(9) Å at 294 K. NbIrTe 4 is a layered compound with a structure closely related to those of WTe 2 and β-MoTe 2, variants of the CdI 2 structure type. The layers comprise buckled sheets of Te atoms, with the Nb and Ir atoms residing in distorted octahedral sites. Metal-metal bonding appears to be responsible for a close association of the Nb and Ir atoms. From Weissenberg photography, the compound TaIrTe 4 is found to be isostructural to NbIrTe 4, with cell dimensions a = 3.77(3), b = 12.37(6), c = 13.17(3) Å. Electrical resistivity measurements along the a axis of both compounds show that they are metallic: ϱ 298 = 8.1 × 10 -5and 1.2 × 10 -4 Ω cm for NbIrTe 4 and TaIrTe 4, respectively. Magnetic susceptibility measurements indicate essentially temperature-independent Pauli paramagnetism for both compounds: χm = 1.9 × 10 -3 and 8.9 × 10 -4 emu mol -1 for NbIrTe 4 and TaIrTe 4, respectively. The compounds NbIrTe 4 and TaIrTe 4 appear to belong to a larger class of compounds MM'Te 4 with M = Nb, Ta and M' = Ru, Os, Rh, Ir.

  8. Acting Atoms.

    ERIC Educational Resources Information Center

    Farin, Susan Archie

    1997-01-01

    Describes a fun game in which students act as electrons, protons, and neutrons. This activity is designed to help students develop a concrete understanding of the abstract concept of atomic structure. (DKM)

  9. Newton's Atom

    NASA Astrophysics Data System (ADS)

    Chaney, Andrea; Espinosa, James; Espinosa, James

    2006-10-01

    At the turn of the twentieth century, physicists and chemists were developing atomic models. Some of the phenomena that they had to explain were the periodic table, the stability of the atom, and the emission spectra. Niels Bohr is known as making the first modern picture that accounted for these. Unknown to much of the physics community is the work of Walter Ritz. His model explained more emission spectra and predates Bohr's work. We will fit several spectra using Ritz's magnetic model for the atom. The problems of stability and chemical periodicity will be shown to be challenges that this model has difficulty solving, but we will present some potentially useful adaptations to the Ritzian atom that can account for them.

  10. Kinetic Atom.

    ERIC Educational Resources Information Center

    Wilson, David B.

    1981-01-01

    Surveys the research of scientists like Joule, Kelvin, Maxwell, Clausius, and Boltzmann as it comments on the basic conceptual issues involved in the development of a more precise kinetic theory and the idea of a kinetic atom. (Author/SK)

  11. Effect of intermixing at CdS/CdTe interface on defect properties

    NASA Astrophysics Data System (ADS)

    Park, Ji-Sang; Yang, Ji-Hui; Barnes, Teresa; Wei, Su-Huai

    2016-07-01

    We investigated the stability and electronic properties of defects in CdTe1-xSx that can be formed at the CdS/CdTe interface. As the anions mix at the interface, the defect properties are significantly affected, especially those defects centered at cation sites like Cd vacancy, VCd, and Te on Cd antisite, TeCd, because the environment surrounding the defect sites can have different configurations. We show that at a given composition, the transition energy levels of VCd and TeCd become close to the valence band maximum when the defect has more S atoms in their local environment, thus improving the device performance. Such beneficial role is also found at the grain boundaries when the Te atom is replaced by S in the Te-Te wrong bonds, reducing the energy of the grain boundary level. On the other hand, the transition levels with respect to the valence band edge of CdTe1-xSx increases with the S concentration as the valence band edge decreases with the S concentration, resulting in the reduced p-type doping efficiency.

  12. Local order origin of thermal stability enhancement in amorphous Ag doping GeTe

    SciTech Connect

    Xu, L.; Li, Y.; Yu, N. N.; Zhong, Y. P.; Miao, X. S.

    2015-01-19

    We demonstrate the impacts of Ag doping on the local atomic structure of amorphous GeTe phase-change material. The variations of phonon vibrational modes, boding nature, and atomic structure are shown by Raman, X-ray photoelectron spectroscopy, and ab initio calculation. Combining the experiments and simulations, we observe that the number of Ge atoms in octahedral site decreases and that in tetrahedral site increases. This modification in local order of GeTe originating from the low valence element will affect the crystallization behavior of amorphous GeTe, which is verified by differential scanning calorimetry and transmission electron microscope results. This work not only gives the analysis on the structural change of GeTe with Ag dopants but also provides a method to enhance the thermal stability of amorphous phase-change materials for memory and brain-inspired computing applications.

  13. Cold Atoms

    NASA Astrophysics Data System (ADS)

    Bellac, Michel Le

    2014-11-01

    This chapter and the following one address collective effects of quantum particles, that is, the effects which are observed when we put together a large number of identical particles, for example, electrons, helium-4 or rubidium-85 atoms. We shall see that quantum particles can be classified into two categories, bosons and fermions, whose collective behavior is radically different. Bosons have a tendency to pile up in the same quantum state, while fermions have a tendency to avoid each other. We say that bosons and fermions obey two different quantum statistics, the Bose-Einstein and the Fermi-Dirac statistics, respectively. Temperature is a collective effect, and in Section 5.1 we shall explain the concept of absolute temperature and its relation to the average kinetic energy of molecules. We shall describe in Section 5.2 how we can cool atoms down thanks to the Doppler effect, and explain how cold atoms can be used to improve the accuracy of atomic clocks by a factor of about 100. The effects of quantum statistics are prominent at low temperatures, and atom cooling will be used to obtain Bose-Einstein condensates at low enough temperatures, when the atoms are bosons.

  14. Spectroscopy in CdTe/MnTe and ZnTe/MnTe single quantum wells; new binary wide gap II VI heterostructures

    NASA Astrophysics Data System (ADS)

    Pelekanos, N.; Fu, Q.; Nurmikko, A. V.; Durbin, S.; Han, J.; Sungki, O.; Menke, D.; Kobayashi, M.; Gunshor, R. L.

    1990-04-01

    With the incorporation of cubic zincblende MnTe, a range of optical studies have been carried out on single quantum wells of ZnTe/MnTe and CdTe/MnTe. By using thin MnTe barrier layers the structures appear to be nearly pseudomorphic and show evidence for good electron-hole confinement.

  15. Several efficiency influencing factors in CdTe/CdS solar cells

    SciTech Connect

    Li, K. |; Feng, Z.C. |; Wee, A.T.S.

    1998-12-31

    Several efficiency influencing factors in MOCVD-grown CdTe/CdS solar cells, including preferential crystal orientation of CdTe layers, CdTe grain size and surface roughness, interfacial mixing, and surface and interface geometrical morphology, are studied. X-ray diffraction (XRD) shows that polycrystalline CdTe/CdS solar cells with higher efficiencies tend to have more (111) planes of CdTe parallel to the macro-surface. Scanning electron microscopy (SEM) and atomic force microscopy (AFM) analysis reveal the relationship between the grain size/surface roughness and cell efficiency. Secondary ion mass spectroscopy (SIMS) and Auger electron spectroscopy (AES) depth profiling show that the interfacial geometrical morphology has a significant influence on the efficiency of CdTe/CdS solar cells. Finally it is shown that interfacial mixing reduces the number of interfacial states and recombination centers and the energy loss due to internal reflectance, enhancing the performance of the solar cells.

  16. Large-Area Synthesis of High-Quality Uniform Few-Layer MoTe2.

    PubMed

    Zhou, Lin; Xu, Kai; Zubair, Ahmad; Liao, Albert D; Fang, Wenjing; Ouyang, Fangping; Lee, Yi-Hsien; Ueno, Keiji; Saito, Riichiro; Palacios, Tomás; Kong, Jing; Dresselhaus, Mildred S

    2015-09-23

    The controlled synthesis of large-area, atomically thin molybdenum ditelluride (MoTe2) crystals is crucial for its various applications based on the attractive properties of this emerging material. In this work, we developed a chemical vapor deposition synthesis to produce large-area, uniform, and highly crystalline few-layer 2H and 1T' MoTe2 films. It was found that these two different phases of MoTe2 can be grown depending on the choice of Mo precursor. Because of the highly crystalline structure, the as-grown few-layer 2H MoTe2 films display electronic properties that are comparable to those of mechanically exfoliated MoTe2 flakes. Our growth method paves the way for the large-scale application of MoTe2 in high-performance nanoelectronics and optoelectronics. PMID:26305492

  17. A high-resolution neutron powder diffraction investigation of galena (PbS) between 10 K and 350 K: no evidence for anomalies in the lattice parameters or atomic displacement parameters in galena or altaite (PbTe) at temperatures corresponding to the saturation of cation disorder

    NASA Astrophysics Data System (ADS)

    Knight, K. S.

    2014-09-01

    The temperature dependences of the unit cell parameter and the atomic displacement parameters (adp) for galena (PbS) have been measured using high resolution neutron powder diffraction in the temperature interval 10-350 K. No evidence has been found for the anomalous behaviour recently reported in a total scattering study of galena, in which the temperature variation of both the unit cell and the adp for lead are reported to undergo a dramatic reduction at a temperature of ~250 K. The linear thermal expansion coefficient calculated from the powder diffraction study is found to be in excellent agreement with literature values over the entire temperature interval studied, and approximately 25% greater at room temperature than that determined by analysis of the pair distribution function (pdf) derived from the total scattering data. This discrepancy is shown to be attributable to a linear, temperature-dependent offset from the published temperatures in the total scattering study, and has arisen from the sample temperature being significantly lower than the experimental set point temperature. Applying this correction to the adps of the lead cation removes the anomalous temperature dependence and shows the pdf results are in agreement with the neutron powder diffraction results. Application of the identical temperature offsets to the results of the pdf analysis of data collected on altaite (PbTe) eliminates the anomalous behaviour in the unit cell and the adp for lead, bringing them in line with literature values. Contrary to the conclusions of the pdf analysis, adps for the lead cation in both galena and altaite can be described in terms of Debye-like behaviour and are consistent with the partial phonon density of states.

  18. A high-resolution neutron powder diffraction investigation of galena (PbS) between 10 K and 350 K: no evidence for anomalies in the lattice parameters or atomic displacement parameters in galena or altaite (PbTe) at temperatures corresponding to the saturation of cation disorder.

    PubMed

    Knight, K S

    2014-09-24

    The temperature dependences of the unit cell parameter and the atomic displacement parameters (adp) for galena (PbS) have been measured using high resolution neutron powder diffraction in the temperature interval 10-350 K. No evidence has been found for the anomalous behaviour recently reported in a total scattering study of galena, in which the temperature variation of both the unit cell and the adp for lead are reported to undergo a dramatic reduction at a temperature of ~250 K. The linear thermal expansion coefficient calculated from the powder diffraction study is found to be in excellent agreement with literature values over the entire temperature interval studied, and approximately 25% greater at room temperature than that determined by analysis of the pair distribution function (pdf) derived from the total scattering data. This discrepancy is shown to be attributable to a linear, temperature-dependent offset from the published temperatures in the total scattering study, and has arisen from the sample temperature being significantly lower than the experimental set point temperature. Applying this correction to the adps of the lead cation removes the anomalous temperature dependence and shows the pdf results are in agreement with the neutron powder diffraction results. Application of the identical temperature offsets to the results of the pdf analysis of data collected on altaite (PbTe) eliminates the anomalous behaviour in the unit cell and the adp for lead, bringing them in line with literature values. Contrary to the conclusions of the pdf analysis, adps for the lead cation in both galena and altaite can be described in terms of Debye-like behaviour and are consistent with the partial phonon density of states. PMID:25185952

  19. Atomic research

    NASA Technical Reports Server (NTRS)

    Hadaway, James B.; Connatser, Robert; Cothren, Bobby; Johnson, R. B.

    1993-01-01

    Work performed by the University of Alabama in Huntsville's (UAH) Center for Applied Optics (CAO) entitled Atomic Research is documented. Atomic oxygen (AO) effects on materials have long been a critical concern in designing spacecraft to withstand exposure to the Low Earth Orbit (LEO) environment. The objective of this research effort was to provide technical expertise in the design of instrumentation and experimental techniques for analyzing materials exposed to atomic oxygen in accelerated testing at NASA/MSFC. Such testing was required to answer fundamental questions concerning Space Station Freedom (SSF) candidate materials and materials exposed to atomic oxygen aboard the Long-Duration Exposure Facility (LDEF). The primary UAH task was to provide technical design, review, and analysis to MSFC in the development of a state-of-the-art 5eV atomic oxygen beam facility required to simulate the RAM-induced low earth orbit (LEO) AO environment. This development was to be accomplished primarily at NASA/MSFC. In support of this task, contamination effects and ultraviolet (UV) simulation testing was also to be carried out using NASA/MSFC facilities. Any materials analysis of LDEF samples was to be accomplished at UAH.

  20. Actuated atomizer

    NASA Technical Reports Server (NTRS)

    Tilton, Charles (Inventor); Weiler, Jeff (Inventor); Palmer, Randall (Inventor); Appel, Philip (Inventor)

    2008-01-01

    An actuated atomizer is adapted for spray cooling or other applications wherein a well-developed, homogeneous and generally conical spray mist is required. The actuated atomizer includes an outer shell formed by an inner ring; an outer ring; an actuator insert and a cap. A nozzle framework is positioned within the actuator insert. A base of the nozzle framework defines swirl inlets, a swirl chamber and a swirl chamber. A nozzle insert defines a center inlet and feed ports. A spool is positioned within the coil housing, and carries the coil windings having a number of turns calculated to result in a magnetic field of sufficient strength to overcome the bias of the spring. A plunger moves in response to the magnetic field of the windings. A stop prevents the pintle from being withdrawn excessively. A pintle, positioned by the plunger, moves between first and second positions. In the first position, the head of the pintle blocks the discharge passage of the nozzle framework, thereby preventing the atomizer from discharging fluid. In the second position, the pintle is withdrawn from the swirl chamber, allowing the atomizer to release atomized fluid. A spring biases the pintle to block the discharge passage. The strength of the spring is overcome, however, by the magnetic field created by the windings positioned on the spool, which withdraws the plunger into the spool and further compresses the spring.

  1. High-quality CdTe films from nanoparticle precursors

    SciTech Connect

    Schulz, D.L.; Pehnt, M.; Urgiles, E.

    1996-05-01

    In this paper the authors demonstrate that nanoparticulate precursors coupled with spray deposition offers an attractive route into electronic materials with improved smoothness, density, and lower processing temperatures. Employing a metathesis approach, cadmium iodide was reacted with sodium telluride in methanol solvent, resulting in the formation of soluble NaI and insoluble CdTe nanoparticles. After appropriate chemical workup, methanol-capped CdTe colloids were isolated. CdTe thin film formation was achieved by spray depositing the nanoparticle colloids (25-75 {Angstrom} diameter) onto substrates at elevated temperatures (T = 280-440{degrees}C) with no further thermal treatment. These films were characterized by x-ray diffraction (XRD), x-ray photoelectron spectroscopy (XPS), and atomic force microscopy (AFM). Cubic CdTe phase formation was observed by XRD, with a contaminant oxide phase also detected. XPS analysis showed that CdTe films produced by this one-step method contained no Na or C and substantial O. AFM gave CdTe grain sizes of {approx}0.1-0.3 {mu}m for film sprayed at 400{degrees}C. A layer-by-layer film growth mechanism proposed for the one-step spray deposition of nanoparticle precursors will be discussed.

  2. Atom Interferometry

    SciTech Connect

    Kasevich, Mark

    2008-05-08

    Atom de Broglie wave interferometry has emerged as a tool capable of addressing a diverse set of questions in gravitational and condensed matter physics, and as an enabling technology for advanced sensors in geodesy and navigation. This talk will review basic principles, then discuss recent applications and future directions. Scientific applications to be discussed include measurement of G (Newton's constant), tests of the Equivalence Principle and post-Newtonian gravity, and study of the Kosterlitz-Thouless phase transition in layered superfluids. Technology applications include development of precision gyroscopes and gravity gradiometers. The talk will conclude with speculative remarks looking to the future: Can atom interference methods be used to detect gravity waves? Can non-classical (entangled/squeezed state) atom sources lead to meaningful sensor performance improvements?

  3. Atom Interferometry

    SciTech Connect

    Mark Kasevich

    2008-05-07

    Atom de Broglie wave interferometry has emerged as a tool capable of addressing a diverse set of questions in gravitational and condensed matter physics, and as an enabling technology for advanced sensors in geodesy and navigation. This talk will review basic principles, then discuss recent applications and future directions. Scientific applications to be discussed include measurement of G (Newton’s constant), tests of the Equivalence Principle and post-Newtonian gravity, and study of the Kosterlitz-Thouless phase transition in layered superfluids. Technology applications include development of precision gryoscopes and gravity gradiometers. The talk will conclude with speculative remarks looking to the future: Can atom interference methods be sued to detect gravity waves? Can non-classical (entangled/squeezed state) atom sources lead to meaningful sensor performance improvements?

  4. Atom Interferometry

    ScienceCinema

    Mark Kasevich

    2010-01-08

    Atom de Broglie wave interferometry has emerged as a tool capable of addressing a diverse set of questions in gravitational and condensed matter physics, and as an enabling technology for advanced sensors in geodesy and navigation. This talk will review basic principles, then discuss recent applications and future directions. Scientific applications to be discussed include measurement of G (Newton?s constant), tests of the Equivalence Principle and post-Newtonian gravity, and study of the Kosterlitz-Thouless phase transition in layered superfluids. Technology applications include development of precision gryoscopes and gravity gradiometers. The talk will conclude with speculative remarks looking to the future: Can atom interference methods be sued to detect gravity waves? Can non-classical (entangled/squeezed state) atom sources lead to meaningful sensor performance improvements?

  5. 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.

  6. Exploring Resonance Levels and Nanostructuring in the PbTe-CdTe System and Enhancement of the Thermoelectric Figure of Merit

    SciTech Connect

    Ahn, Kyunghan; Han, Mi-Kyung; He, Jiaqing; Androulakis, John; Ballikaya, Sedat; Uher, Ctirad; Dravid, Vinayak; Kanatzidis, Mercouri G.

    2010-04-14

    We explored the effect of Cd substitution on the thermoelectric properties of PbTe in an effort to test a theoretical hypothesis that Cd atoms on Pb sites of the rock salt lattice can increase the Seebeck coefficient via the formation of a resonance level in the density of states near the Fermi energy. We find that the solubility of Cd is less than previously reported, and CdTe precipitation occurs to create nanostructuring, which strongly suppresses the lattice thermal conductivity. We present detailed characterization including structural and spectroscopic data, transmission electron microscopy, and thermoelectric transport properties of samples of PbTe-x% CdTe-0.055% PbI2 (x = 1, 3, 5, 7, 10), PbTe-1% CdTe-y% PbI2 (y = 0.03, 0.045, 0.055, 0.08, 0.1, 0.2), PbTe-5% CdTe-y% PbI2 (y = 0.01, 0.03, 0.055, 0.08), and PbTe-1% CdTe-z% Sb (z = 0.3, 0.5, 1, 1.5, 2, 3, 4, 5, 6). All samples follow the Pisarenko relationship, and no enhancement of the Seebeck coefficient was observed that could be attributed to a resonance level or a distortion in the density of states. A maximum ZT of 1.2 at 720 K was achieved for the PbTe-1% CdTe-0.055% PbI2 sample arising from a high power factor of 17 μW/(cm K2) and a very low lattice thermal conductivity of 0.5 W/(m K) at 720 K.

  7. As-Received CdZnTe Substrate Contamination

    NASA Astrophysics Data System (ADS)

    Benson, J. D.; Bubulac, L. O.; Jaime-Vasquez, M.; Lennon, C. M.; Smith, P. J.; Jacobs, R. N.; Markunas, J. K.; Almeida, L. A.; Stoltz, A.; Arias, J. M.; Wijewarnasuriya, P. S.; Peterson, J.; Reddy, M.; Vilela, M. F.; Johnson, S. M.; Lofgreen, D. D.; Yulius, A.; Carmody, M.; Hirsch, R.; Fiala, J.; Motakef, S.

    2015-09-01

    State-of-the-art as-received (112)B CdZnTe substrates were examined for surface impurity contamination, polishing damage, and tellurium precipitates/inclusions. A maximum surface impurity concentration of Al = 7.5 × 1014, Si = 3.7 × 1013, Cl = 3.12 × 1015, S = 1.7 × 1014, P = 7.1 × 1013, Fe = 1.0 × 1013, Br = 1.9 × 1012, and Cu = 4 × 1012 atoms cm-2 was observed on an as-received 6 × 6 cm wafer. As-received CdZnTe substrates have scratches and residual polishing grit on the (112)B surface. Polishing scratches are 0.3 nm in depth and 0.1 μm wide. The polishing grit density was observed to vary from wafer-to-wafer from ˜5 × 106 to 2 × 108 cm-2. Te precipitate/inclusion size and density was determined by near-infrared automated microscopy. A Te precipitate/inclusion diameter histogram was obtained for the near-surface (top ~140 μm) of a 6 × 6 cm substrate. The average areal Te precipitate/inclusion density was observed to be fairly uniform. However, there was a large density of Te precipitates/inclusions with a diameter significantly greater than the mean. Te precipitate/inclusion density >10 μm diameter = 2.8 × 103 cm-3. The large Te precipitates/inclusions are laterally non-uniformly distributed across the wafer.

  8. Phase stability and lattice thermal conductivity reduction in CoSb3 skutterudites, doped with chalcogen atoms

    NASA Astrophysics Data System (ADS)

    Battabyal, M.; Priyadarshini, B.; Pradipkanti, L.; Satapathy, Dillip K.; Gopalan, R.

    2016-07-01

    We report a significant reduction in the lattice thermal conductivity of the CoSb3 skuttertudites, doped with chalcogen atoms. Te/Se chalcogen atoms doped CoSb3 skutterudite samples (Te0.1Co4Sb12, Se0.1Co4Sb12, Te0.05Se0.05Co4Sb12) are processed by ball milling and spark plasma sintering. X-ray diffraction data combined with energy dispersive X-ray spectra indicate the doping of Te/Se chalcogen atoms in the skutterudite. The temperature dependent X-ray diffraction confirms the stability of the Te/Se doped CoSb3 skutterudite phase and absence of any secondary phase in the temperature range starting from 300 K to 773 K. The Raman spectroscopy reveals that different chalcogen dopant atoms cause different resonant optical vibrational modes between the dopant atom and the host CoSb3 skutterudite lattice. These optical vibrational modes do scatter heat carrying acoustic phonons in a different spectral range. It was found that among the Te/Se chalcogen atoms, Te atoms alter the host CoSb3 skutterudite lattice vibrations to a larger extent than Se atoms, and can potentially scatter more Sb related acoustic phonons. The Debye model of lattice thermal conductivity confirms that the resonant phonon scattering has important contributions to the reduction of lattice thermal conductivity in CoSb3 skutterudites doped with Te/Se chalcogen atoms. Lattice thermal conductivity ˜ 0.9 W/mK at 773 K is achieved in Te0.1Co4Sb12 skutterudites, which is the lowest value reported so far in CoSb3 skutterudites, doped with single Te chalcogen atom.

  9. Atomic ordering in cubic bismuth telluride alloy phases at high pressure

    NASA Astrophysics Data System (ADS)

    Loa, I.; Bos, J.-W. G.; Downie, R. A.; Syassen, K.

    2016-06-01

    Pressure-induced transitions from ordered intermetallic phases to substitutional alloys to semi-ordered phases were studied in a series of bismuth tellurides. By using angle-dispersive x-ray diffraction, the compounds Bi4Te5 , BiTe, and Bi2Te were observed to form alloys with the disordered body-centered cubic (bcc) crystal structure upon compression to above 14-19 GPa at room temperature. The BiTe and Bi2Te alloys and the previously discovered high-pressure alloys of Bi2Te3 and Bi4Te3 were all found to show atomic ordering after gentle annealing at very moderate temperatures of ˜100 ∘C . Upon annealing, BiTe transforms from bcc to the B2 (CsCl) crystal-structure type, and the other phases adopt semi-disordered variants thereof, featuring substitutional disorder on one of the two crystallographic sites. The transition pressures and atomic volumes of the alloy phases show systematic variations across the BimTen series including the end members Bi and Te. First-principles calculations were performed to characterize the electronic structure and chemical bonding properties of B2-type BiTe and to identify the driving forces of the ordering transition. The calculated Fermi surface of B2-type BiTe has an intricate structure and is predicted to undergo three topological changes between 20 and 60 GPa.

  10. Electronic structures of HgTe and CdTe surfaces and HgTe/CdTe interfaces

    NASA Technical Reports Server (NTRS)

    Schick, J. T.; Bose, S. M.; Chen, A.-B.

    1989-01-01

    A Green's-function method has been used to study the surface and interface electronic structures of the II-VI compounds HgTe and CdTe. Localized surface and resonance states near the cation-terminated (100) surface of CdTe and the anion-terminated surface of HgTe have been found for the ideal surfaces. The energies and strengths of these surface states are altered by surface perturbations. The bulk states near the surface are drastically modified by the creation of the surface, but the band gaps remain unchanged. Numerical evaluation of the local densities of states at the Gamma and J points shows that, at the (100) interface of HgTe/CdTe, the previously observed surface states are no longer present. However, in the interface region, bulk states of one material penetrate some distance into the other material.

  11. Atomic arias

    NASA Astrophysics Data System (ADS)

    Crease, Robert P.

    2009-01-01

    The American composer John Adams uses opera to dramatize controversial current events. His 1987 work Nixon in China was about the landmark meeting in 1972 between US President Richard Nixon and Chairman Mao Zedong of China; The Death of Klinghoffer (1991) was a musical re-enactment of an incident in 1985 when Palestinian terrorists kidnapped and murdered a wheelchair-bound Jewish tourist on a cruise ship. Adams's latest opera, Doctor Atomic, is also tied to a controversial event: the first atomic-bomb test in Alamogordo, New Mexico, on 16 June 1945. The opera premièred in San Francisco in 2005, had a highly publicized debut at the Metropolitan Opera in New York in 2008, and will have another debut on 25 February - with essentially the same cast - at the English National Opera in London.

  12. Atomic rivals

    SciTech Connect

    Goldschmidt, B.

    1990-01-01

    This book is a memoir of rivalries among the Allies over the bomb, by a participant and observer. Nuclear proliferation began in the uneasy wartime collaboration of the United States, England, Canada, and Free France to produce the atom bomb. Through the changes of history, a young French chemist had a role in almost every act of this international drama. This memoir is based on Goldschmidt's own recollections, interviews with other leading figures, and 3,000 pages of newly declassified documents in Allied archives. From his own start as Marie Curie's lab assistant, Goldschmidt's career was closely intertwined with Frances complicated rise to membership in the nuclear club. As a refugee from the Nazis, he became part of the wartime nuclear energy project in Canada and found himself the only French scientist to work (although briefly) on the American atom bomb project.

  13. Atomic physics

    SciTech Connect

    Livingston, A.E.; Kukla, K.; Cheng, S.

    1995-08-01

    In a collaboration with the Atomic Physics group at Argonne and the University of Toledo, the Atomic Physics group at the University of Notre Dame is measuring the fine structure transition energies in highly-charged lithium-like and helium-like ions using beam-foil spectroscopy. Precise measurements of 2s-2p transition energies in simple (few-electron) atomic systems provide stringent tests of several classes of current atomic- structure calculations. Analyses of measurements in helium-like Ar{sup 16+} have been completed, and the results submitted for publication. A current goal is to measure the 1s2s{sup 3}S{sub 1} - 1s2p{sup 3}P{sub 0} transition wavelength in helium-like Ni{sup 26+}. Measurements of the 1s2s{sup 2}S{sub 1/2} - 1s2p{sup 2}P{sub 1/2,3/2} transition wavelengths in lithium-like Kr{sup 33+} is planned. Wavelength and lifetime measurements in copper-like U{sup 63+} are also expected to be initiated. The group is also participating in measurements of forbidden transitions in helium-like ions. A measurement of the lifetime of the 1s2s{sup 3}S{sub 1} state in Kr{sup 34+} was published recently. In a collaboration including P. Mokler of GSI, Darmstadt, measurements have been made of the spectral distribution of the 2E1 decay continuum in helium-like Kr{sup 34+}. Initial results have been reported and further measurements are planned.

  14. Photoluminescence of Cu-doped CdTe and related stability issues in CdS/CdTe solar cells

    NASA Astrophysics Data System (ADS)

    Grecu, D.; Compaan, A. D.; Young, D.; Jayamaha, U.; Rose, D. H.

    2000-09-01

    We explore Cu electronic states in CdTe using photoluminescence as the main investigative method. Our results are consistent with some Cu atoms occupying substitutional positions on the Cd sublattice and with others forming Frenkel pairs of the type Cui+-VCd- involving an interstitial Cu and a Cd vacancy. In addition, we find that Cu-doped CdTe samples exhibit a significant "aging" behavior, attributable to the instability of Cu acceptor states as verified by our Hall measurements. The aging appears to be reversible by a 150-200 °C anneal. Our results are used to explain efficiency degradation of some CdTe solar-cell devices which use Cu for the formation of a backcontact.

  15. 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.

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

    NASA Astrophysics Data System (ADS)

    Wiendlocha, Bartlomiej

    2016-04-01

    The electronic structure of the tetradymites, Bi_2 Te_3 , Bi_2 Te_2 Se, and Bi_2 Se_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_2 Te_3 and predicting similar behavior of Sn in Bi_2 Te_2 Se and Bi_2 Se_3 . Vacancies, which are likely present on chalcogen atom sites in real samples of Bi_2 Te_2 Se and Bi_2 Se_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_2 Te_2 Se or Bi_2 Se_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_2 Te_2 Se. Finally, we show that Al and Ga are possible new resonant impurities in tetradymites, hoping that this will stimulate further experimental studies.

  17. Te/C nanocomposites for Li-Te Secondary Batteries

    PubMed Central

    Seo, Jeong-Uk; Seong, Gun-Kyu; Park, Cheol-Min

    2015-01-01

    New battery systems having high energy density are actively being researched in order to satisfy the rapidly developing market for longer-lasting mobile electronics and hybrid electric vehicles. Here, we report a new Li-Te secondary battery system with a redox potential of ~1.7 V (vs. Li+/Li) adapted on a Li metal anode and an advanced Te/C nanocomposite cathode. Using a simple concept of transforming TeO2 into nanocrystalline Te by mechanical reduction, we designed an advanced, mechanically reduced Te/C nanocomposite electrode material with high energy density (initial discharge/charge: 1088/740 mA h cm−3), excellent cyclability (ca. 705 mA h cm−3 over 100 cycles), and fast rate capability (ca. 550 mA h cm−3 at 5C rate). The mechanically reduced Te/C nanocomposite electrodes were found to be suitable for use as either the cathode in Li-Te secondary batteries or a high-potential anode in rechargeable Li-ion batteries. We firmly believe that the mechanically reduced Te/C nanocomposite constitutes a breakthrough for the realization and mass production of excellent energy storage systems. PMID:25609035

  18. Te/C nanocomposites for Li-Te Secondary Batteries

    NASA Astrophysics Data System (ADS)

    Seo, Jeong-Uk; Seong, Gun-Kyu; Park, Cheol-Min

    2015-01-01

    New battery systems having high energy density are actively being researched in order to satisfy the rapidly developing market for longer-lasting mobile electronics and hybrid electric vehicles. Here, we report a new Li-Te secondary battery system with a redox potential of ~1.7 V (vs. Li+/Li) adapted on a Li metal anode and an advanced Te/C nanocomposite cathode. Using a simple concept of transforming TeO2 into nanocrystalline Te by mechanical reduction, we designed an advanced, mechanically reduced Te/C nanocomposite electrode material with high energy density (initial discharge/charge: 1088/740 mA h cm-3), excellent cyclability (ca. 705 mA h cm-3 over 100 cycles), and fast rate capability (ca. 550 mA h cm-3 at 5C rate). The mechanically reduced Te/C nanocomposite electrodes were found to be suitable for use as either the cathode in Li-Te secondary batteries or a high-potential anode in rechargeable Li-ion batteries. We firmly believe that the mechanically reduced Te/C nanocomposite constitutes a breakthrough for the realization and mass production of excellent energy storage systems.

  19. 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

  20. First principles studies of the stability and Shottky barriers of metal/CdTe(111) interfaces

    NASA Astrophysics Data System (ADS)

    Liu, Zhen; Miao, Masoehng; Kioussis, Nicholas; Aqariden, Fikri; Chang, Y.; Grein, Christoph

    CdZnTe and CdTe based semiconductor X-Ray and Gamma-Ray detectors have been intensively studied recently due to their promising potentials for achieving high-resolution, high signal-to-noise ratios and low leakage current, all are desirable features in applications ranging from medical diagnostics to homeland security. Using density functional calculations, we systematically studied the stability, the atomic and electronic structures of the interfaces between CdTe (111) surfaces (Cd- and Te-terminated) and the selected metals (Cu, Al Ni, Pd and Pt). We also calculated the Schottky barrier height (SBH) by aligning the electrostatic potentials in semiconductor and metal regions. Our calculations revealed significant differences between the Cd- and Te- terminated interfaces. While metals tend to deposit directly on reconstructed Te-terminated surfaces, they form a Te-metal alloy layer at the Cd-Terminated metal/CdTe interface. For both Te- and Cd- terminated interfaces, the Schottky barrier heights do not depend much on the choice of metals despite the large variation of the work functions. On the other hand, the interface structure is found to have large effect on the SBH, which is attributed to the metal induced states in the gap.

  1. EDITORIAL: Atomic layer deposition Atomic layer deposition

    NASA Astrophysics Data System (ADS)

    Godlewski, Marek

    2012-07-01

    The growth method of atomic layer deposition (ALD) was introduced in Finland by Suntola under the name of atomic layer epitaxy (ALE). The method was originally used for deposition of thin films of sulphides (ZnS, CaS, SrS) activated with manganese or rare-earth ions. Such films were grown for applications in thin-film electroluminescence (TFEL) displays. The ALE mode of growth was also tested in the case of molecular beam epitaxy. Films grown by ALD are commonly polycrystalline or even amorphous. Thus, the name ALE has been replaced by ALD. In the 80s ALD was developed mostly in Finland and neighboring Baltic countries. Deposition of a range of different materials was demonstrated at that time, including II-VI semiconductors (e.g. CdTe, CdS) and III-V (e.g. GaAs, GaN), with possible applications in e.g. photovoltaics. The number of publications on ALD was slowly increasing, approaching about 100 each year. A real boom in interest came with the development of deposition methods of thin films of high-k dielectrics. This research was motivated by a high leakage current in field-effect transistors with SiO2-based gate dielectrics. In 2007 Intel introduced a new generation of integrated circuits (ICs) with thin films of HfO2 used as gate isolating layers. In these and subsequent ICs, films of HfO2 are deposited by the ALD method. This is due to their unique properties. The introduction of ALD to the electronics industry led to a booming interest in the ALD growth method, with the number of publications increasing rapidly to well above 1000 each year. A number of new applications were proposed, as reflected in this special issue of Semiconductor Science and Technology. The included articles cover a wide range of possible applications—in microelectronics, transparent electronics, optoelectronics, photovoltaics and spintronics. Research papers and reviews on the basics of ALD growth are also included, reflecting a growing interest in precursor chemistry and growth

  2. Thermodynamic and transport properties of Y Te3 , La Te3 , and Ce Te3

    NASA Astrophysics Data System (ADS)

    Ru, N.; Fisher, I. R.

    2006-01-01

    Measurements of heat capacity, susceptibility, and electrical resistivity are presented for single crystals of the charge density wave compounds YTe3 , LaTe3 , and CeTe3 . The materials are metallic to low temperatures, but have a small density of states due to the charge density wave gapping large portions of the Fermi surface. CeTe3 is found to be a weak Kondo lattice, with an antiferromagnetic ground state and TN=2.8K . The electrical resistivity of all three compounds is highly anisotropic, confirming the weak dispersion perpendicular to Te planes predicted by band structure calculations.

  3. Characterization of CdTe, (Cd,Zn)Te, and Cd(Te,Se) single crystals by transmission electron microscopy

    NASA Astrophysics Data System (ADS)

    Rai, R. S.; Mahajan, S.; McDevitt, S.; Johnson, C. J.

    1991-10-01

    CdTe, (Cd,Zn)Te, and Cd(Te,Se) crystals grown by the Bridgman technique have been characterized by transmission electron microscopy. Results indicate that the Te precipitates are seen in all the crystals, but their density and size are lowest and largest in the case of Cd(Te,Se) crystals. In addition, dislocations, stacking faults, and microtwins are observed in as-grown CdTe, (Cd,Zn)Te, and Cd(Te,Se) crystals. Arguments have been developed to rationalize these observations and their ramifications on crystal perfection are discussed.

  4. Antimony bonding in Ge-Sb-Te phase change materials

    NASA Astrophysics Data System (ADS)

    Bobela, David C.; Taylor, P. Craig; Kuhns, Phillip; Reyes, Arneil; Edwards, Arthur

    2011-01-01

    The amorphous phase in some technologically important Ge-Sb-Te systems is still not well understood despite many models that exist to explain it. Using nuclear magnetic resonance, we demonstrate that Sb bonding in these systems follows the 8-Nrule for chemical bonding in amorphous solids. We find that the Sb atoms preferentially bond to three atoms in a pyramidal configuration analogous to the sites occurring in Sb-S or Sb-Se systems. The data we present should be used as a guide for structural modeling of the amorphous phase.

  5. Optical modeling of graphene contacted CdTe solar cells

    NASA Astrophysics Data System (ADS)

    Aldosari, Marouf; Sohrabpoor, Hamed; Gorji, Nima E.

    2016-04-01

    For the first time, an optical model is applied on CdS/CdTe thin film solar cells with graphene front or back contact. Graphene is highly conductive and is as thin as a single atom which reduces the light reflection and absorption, and thus enhances the light transmission to CdTe layer for a wide range of wavelengths including IR. Graphene as front electrode of CdTe devices led to loss in short circuit current density of 10% ΔJsc ≤ 15% compared to the conventional electrodes of TCO and ITO at CdS thickness of dCdS = 100 nm. In addition, all the multilayer graphene electrodes with 2, 4, and 7 graphene layers led to Jsc ≤ 20 mA/cm2. Therefore, we conclude that a single monolayer graphene with hexagonal carbon network reduces optical losses and enhances the carrier collection measured as Jsc. In another structure design, we applied the optical model to graphene back contacted CdS/CdTe device. This scheme allows double side irradiation of the cell which is expected to enhance the Jsc. We obtained 1 ∼ 6 , 23, and 38 mA/cm2 for back, front and bifacial illumination of graphene contacted CdTe cell with CdS = 100 nm. The bifacial irradiated cell, to be efficient, requires an ultrathin CdTe film with dCdTe ≤ 1 μm. In this case, the junction electric field extends to the back region and collects out the generated carriers efficiently. This was modelled by absorptivity rather than transmission rate and optical losses. Since the literature suggest that ZnO can increase the graphene conductivity and enhance the Jsc, we performed our simulations for a graphene/ZnO electrode (ZnO = 100 nm) instead of a single graphene layer.

  6. Vapor phase epitaxy of CdTe on sapphire and GaAs

    NASA Astrophysics Data System (ADS)

    Kasuga, Masanobu; Futami, Hiroyuki; Iba, Yoshihiro

    1991-12-01

    CdTe films were deposited on three kinds of sapphire substrate and two kinds of GaAs substrate by open tube vapor transport. X-ray Laue diffraction study showed that CdTe(111) film grew on every kind of sapphire substrate used, i.e. on the (0001) basal plane, the (11 overline20)A plane and the (1 overline102)R plane, and that there exist a few degrees of tilt angel between CdTe(111) and the lattice plane of each substrate. The process of making the tilt angle may be explained by the atomistic mismatch model of the Cd and Al arrangement which is projected on the film-substrate interface. On GaAs(100), either CdTe(111) or CdTe(100) was obtained, whereas only a twin crystalline film was obtained on GaAs(111). These results are also consistent with the mismatch model of Cd and Ga atoms.

  7. Structural evolution of Ga-Ge-Te glasses by combined EXAFS and XPS analysis

    SciTech Connect

    Golovchak, R.; Calvez, L.; Bureau, B.; Jain, H.

    2013-08-07

    The structural evolution of Ga{sub x}Ge{sub y}Te{sub 100−x−y} glasses in the vicinity of GeTe{sub 4}-GaTe{sub 3} pseudo-binary tie-line is determined with high-resolution X-ray photoelectron (XPS) and extended X-ray absorption fine structure (EXAFS) spectroscopies. The analysis of XPS data is complicated by similar electronegativity values for the constituent chemical elements, but then the interpretation is facilitated by information from complementary EXAFS analysis of the structure around each element independently. The results show 4/4/2 coordination for Ga/Ge/Te atoms and absence of Ga(Ge)-Ge(Ga) bonds or extended Te clusters in significant concentrations within the whole range of studied composition. The observed structural features correlate well with the measured basic physical properties of Ga-containing germanium telluride glasses.

  8. Thermodynamic Modeling of the Pt-Te and Pt-Sb-Te Systems

    NASA Astrophysics Data System (ADS)

    Guo, Cuiping; Huang, Liang; Li, Changrong; Shang, Shunli; Du, Zhenmin

    2015-08-01

    The Pt-Te and the Pt-Sb-Te systems are modeled using the calculation of phase diagram (CALPHAD) technique. In the Pt-Te system, the liquid phase is modeled as (Pt, PtTe2, Te) using the associate model, and four intermediates, PtTe2, Pt2Te3, Pt3Te4 and PtTe, are treated as stoichiometric compounds and their enthalpies of formation are obtained by means of first-principles calculations. The solution phases, fcc(Pt) and hex(Te), are described as substitutional solutions. Combined with the thermodynamic models of the liquid phase in the Pt-Sb and Sb-Te systems in the literature, the liquid phase of the Pt-Sb-Te ternary system is modeled as (Pt, Sb, Te, Sb2Te3, PtTe2) also using the associate model. The compounds, PtTe2, Pt2Te3, Pt3Te4 and PtTe in the Pt-Te system and PtSb2, PtSb, Pt3Sb2 and Pt7Sb in the Pt-Sb system are treated as line compounds Pt m (Sb,Te) n in the Pt-Sb-Te system, and the compound Pt5Sb is treated as (Pt,Sb)5(Pt,Sb,Te). A set of self-consistent thermodynamic parameters is obtained. Using these thermodynamic parameters, the experimental Pt-Te phase diagram, the experimental heat capacities of PtTe and PtTe2, the enthalpies of formation from first-principles calculations for PtTe2, Pt2Te3, Pt3Te4, and PtTe, and the ternary isothermal sections at 873 K, 923 K, 1073 K and 1273 K are well reproduced.

  9. Atomic Clocks

    NASA Astrophysics Data System (ADS)

    Wynands, Robert

    Time is a strange thing. On the one hand it is arguably the most inaccessible physical phenomenon of all: both in that it is impossible to manipulate or modify—for all we know—and in that even after thousands of years mankind's philosophers still have not found a fully satisfying way to understand it. On the other hand, no other quantity can be measured with greater precision. Today's atomic clocks allow us to reproduce the length of the second as the SI unit of time with an uncertainty of a few parts in 1016—orders of magnitude better than any other quantity. In a sense, one can say [1

  10. Radioisotope Thermoelectric Generators Based on Segmented BiTe/PbTe-BiTe/TAGS/PbSnTe

    NASA Astrophysics Data System (ADS)

    McAlonan, Malachy; Patel, Kalpesh; Cummer, Keith

    2006-01-01

    This paper reports on Phase 1 of a multifaceted effort to develop a more efficient radioisotope thermoelectric generator (RTG) for future NASA missions. The conversion efficiency goal is 10% or higher at a power level of 20 watt or higher. The thermoelectric (T/E) efficiency achievable with present T/E materials is about 8% for favorable temperatures. Thermoelectric converter designs, T/E material properties, and T/E couple thermal and electrical performance were investigated in Phase 1 of this program to find paths to improve conversion efficiency. T/E properties can be improved by optimizing the composition of the materials and by improving the micro structural characteristics such as homogeneity, grain size, and phases present. T/E couple performance can be improved by reducing the electrical and thermal contact resistances of the couple and within the segmented T/E elements. Performance and reliability improvements can be achieved by reducing the thermo-mechanical stresses, improving the quality of the bonds and interfaces, minimizing the number of required bonds, and reducing the degradation rates of both the T/E materials and the bonds. This paper focuses on one portion of the activity, i.e., the design of a small converter. In the converter design effort, a prototypic 20-watt device, suitable for use with a single general-purpose heat source (GPHS), was built using an optimized converter design of segmented thermoelectric elements of heritage composition. The 20-watt prototype achieved the power predicted for the test conditions. The chosen couple design used segmented BiTe/PbTe for the n-type element and BiTe/TAGS/PbSnTe, for the p-type T/E element. Use of the BiTe segment exploits the opportunity of the small RTG to operate at lower heat rejection temperatures and results in much higher conversion efficiency, the main objective of the NASA program. Long term data on similarly segmented couples at Teledyne together with the 20-watt module test results

  11. Crystal orientation mechanism of ZnTe epilayers formed on different orientations of sapphire substrates by molecular beam epitaxy

    SciTech Connect

    Nakasu, T. Yamashita, S.; Aiba, T.; Hattori, S.; Sun, W.; Taguri, K.; Kazami, F.; Kobayashi, M.

    2014-10-28

    The electrooptic effect in ZnTe has recently attracted research attention, and various device structures using ZnTe have been explored. For application to practical terahertz wave detector devices based on ZnTe thin films, sapphire substrates are preferred because they enable the optical path alignment to be simplified. ZnTe/sapphire heterostructures were focused upon, and ZnTe epilayers were prepared on highly mismatched sapphire substrates by molecular beam epitaxy. Epitaxial relationships between the ZnTe thin films and the sapphire substrates with their various orientations were investigated using an X-ray diffraction pole figure method. (0001) c-plane, (1-102) r-plane, (1-100) m-plane, and (11-20) a-plane oriented sapphire substrates were used in this study. The epitaxial relationship between ZnTe and c-plane sapphire was found to be (111) ZnTe//(0001) sapphire with an in-plane orientation relationship of [−211] ZnTe//[1-100] sapphire. It was found that the (211)-plane ZnTe layer was grown on the m-plane of the sapphire substrates, and the (100)-plane ZnTe layer was grown on the r-plane sapphire. When the sapphire substrates were inclined from the c-plane towards the m-axis direction, the orientation of the ZnTe thin films was then tilted from the (111)-plane to the (211)-plane. The c-plane of the sapphire substrates governs the formation of the (111) ZnTe domain and the ZnTe epilayer orientation. These crystallographic features were also related to the atom arrangements of ZnTe and sapphire.

  12. Crystal orientation mechanism of ZnTe epilayers formed on different orientations of sapphire substrates by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Nakasu, T.; Yamashita, S.; Aiba, T.; Hattori, S.; Sun, W.; Taguri, K.; Kazami, F.; Kobayashi, M.

    2014-10-01

    The electrooptic effect in ZnTe has recently attracted research attention, and various device structures using ZnTe have been explored. For application to practical terahertz wave detector devices based on ZnTe thin films, sapphire substrates are preferred because they enable the optical path alignment to be simplified. ZnTe/sapphire heterostructures were focused upon, and ZnTe epilayers were prepared on highly mismatched sapphire substrates by molecular beam epitaxy. Epitaxial relationships between the ZnTe thin films and the sapphire substrates with their various orientations were investigated using an X-ray diffraction pole figure method. (0001) c-plane, (1-102) r-plane, (1-100) m-plane, and (11-20) a-plane oriented sapphire substrates were used in this study. The epitaxial relationship between ZnTe and c-plane sapphire was found to be (111) ZnTe//(0001) sapphire with an in-plane orientation relationship of [-211] ZnTe//[1-100] sapphire. It was found that the (211)-plane ZnTe layer was grown on the m-plane of the sapphire substrates, and the (100)-plane ZnTe layer was grown on the r-plane sapphire. When the sapphire substrates were inclined from the c-plane towards the m-axis direction, the orientation of the ZnTe thin films was then tilted from the (111)-plane to the (211)-plane. The c-plane of the sapphire substrates governs the formation of the (111) ZnTe domain and the ZnTe epilayer orientation. These crystallographic features were also related to the atom arrangements of ZnTe and sapphire.

  13. Rotation sensing with a circular atomic waveguide

    NASA Astrophysics Data System (ADS)

    Zhao, Lian-jie; Yan, Xiao-jun; Zhang, Guo-wan; Zhang, An-ning

    2016-01-01

    The hollow metallic optical fibers not only retain the advantage of flexibility but possess a greater intensity gradient for atomic waveguide. Therefore, based on the vector model of Maxwell's equations, we exactly calculated the intensity distribution of the TE01 mode in a typical metallic fiber, and analyzed the optical potential for 85Rb atom. Most of all, based on a circular atomic waveguide, we creatively proposed a novel measurement scheme for rotation sensing, explained the specific measurement principle, and built a mathematical model for this novel scheme. By measuring the number of atoms in the final states, we could get the rotation rate for this typical rotation system. This novel rotation sensor not only possessed a higher measurement precision, but realized the continuity measurement. It will be widely used in navigation, geophysics and general relativity.

  14. Ion-beam treatment to prepare surfaces of p-CdTe films

    DOEpatents

    Gessert, Timothy A.

    2001-01-01

    A method of making a low-resistance electrical contact between a p-CdTe layer and outer contact layers by ion beam processing comprising: a) placing a CdS/CdTe device into a chamber and evacuating the chamber; b) orienting the p-CdTe side of the CdS/CdTe layer so that it faces apparatus capable of generating Ar atoms and ions of preferred energy and directionality; c) introducing Ar and igniting the area of apparatus capable of generating Ar atoms and ions of preferred energy and directionality in a manner so that during ion exposure, the source-to-substrate distance is maintained such that it is less than the mean-free path or diffusion length of the Ar atoms and ions at the vacuum pressure; d) allowing exposure of the p-CdTe side of the device to said ion beam for a period less than about 5 minutes; and e) imparting movement to the substrate to control the real uniformity of the ion-beam exposure on the p-CdTe side of the device.

  15. Ab initio investigation of the structural and electronic properties of amorphous HgTe.

    PubMed

    Zhao, Huxian; Chen, Xiaoshuang; Lu, Jianping; Shu, Haibo; Lu, Wei

    2014-01-29

    We present the structure and electronic properties of amorphous mercury telluride obtained from first-principle calculations. The initial configuration of amorphous mercury telluride is created by computation alchemy. According to different exchange–correlation functions in our calculations, we establish two 256-atom models. The topology of both models is analyzed in terms of radial and bond angle distributions. It is found that both the Te and the Hg atoms tend to be fourfold, but with a wrong bond rate of about 10%. The fraction of threefold and fivefold atoms also shows that there are a significant number of dangling and floating bonds in our models. The electronic properties are also obtained. It is indicated that there is a bandgap in amorphous HgTe, in contrast to the zero bandgap for crystalline HgTe. The structures of the band tail and defect states are also discussed. PMID:24592480

  16. Diffusion of Cd and Te adatoms on CdTe(111) surfaces: A computational study using density functional theory

    SciTech Connect

    Naderi, Ebadollah; Nanavati, Sachin; Majumder, Chiranjib; Ghaisas, S. V.

    2015-01-15

    CdTe is one of the most promising semiconductor for thin-film based solar cells. Here we report a computational study of Cd and Te adatom diffusion on the CdTe (111) A-type (Cd terminated) and B-type (Te terminated) surfaces and their migration paths. The atomic and electronic structure calculations are performed under the DFT formalism and climbing Nudge Elastic Band (cNEB) method has been applied to evaluate the potential barrier of the Te and Cd diffusion. In general the minimum energy site on the surface is labeled as A{sub a} site. In case of Te and Cd on B-type surface, the sub-surface site (a site just below the top surface) is very close in energy to the A site. This is responsible for the subsurface accumulation of adatoms and therefore, expected to influence the defect formation during growth. The diffusion process of adatoms is considered from A{sub a} (occupied) to A{sub a} (empty) site at the nearest distance. We have explored three possible migration paths for the adatom diffusion. The adatom surface interaction is highly dependent on the type of the surface. Typically, Te interaction with both type (5.2 eV for A-type and 3.8 eV for B-type) is stronger than Cd interactions(2.4 eV for B-type and 0.39 eV for A-type). Cd interaction with the A-type surface is very weak. The distinct behavior of the A-type and B-type surfaces perceived in our study explain the need of maintaining the A-type surface during growth for smooth and stoichiometric growth.

  17. Diffusion of Cd and Te adatoms on CdTe(111) surfaces: A computational study using density functional theory

    NASA Astrophysics Data System (ADS)

    Naderi, Ebadollah; Nanavati, Sachin; Majumder, Chiranjib; Ghaisas, S. V.

    2015-01-01

    CdTe is one of the most promising semiconductor for thin-film based solar cells. Here we report a computational study of Cd and Te adatom diffusion on the CdTe (111) A-type (Cd terminated) and B-type (Te terminated) surfaces and their migration paths. The atomic and electronic structure calculations are performed under the DFT formalism and climbing Nudge Elastic Band (cNEB) method has been applied to evaluate the potential barrier of the Te and Cd diffusion. In general the minimum energy site on the surface is labeled as Aa site. In case of Te and Cd on B-type surface, the sub-surface site (a site just below the top surface) is very close in energy to the A site. This is responsible for the subsurface accumulation of adatoms and therefore, expected to influence the defect formation during growth. The diffusion process of adatoms is considered from Aa (occupied) to Aa (empty) site at the nearest distance. We have explored three possible migration paths for the adatom diffusion. The adatom surface interaction is highly dependent on the type of the surface. Typically, Te interaction with both type (5.2 eV for A-type and 3.8 eV for B-type) is stronger than Cd interactions(2.4 eV for B-type and 0.39 eV for A-type). Cd interaction with the A-type surface is very weak. The distinct behavior of the A-type and B-type surfaces perceived in our study explain the need of maintaining the A-type surface during growth for smooth and stoichiometric growth.

  18. Atom Skimmers and Atom Lasers Utilizing Them

    NASA Technical Reports Server (NTRS)

    Hulet, Randall; Tollett, Jeff; Franke, Kurt; Moss, Steve; Sackett, Charles; Gerton, Jordan; Ghaffari, Bita; McAlexander, W.; Strecker, K.; Homan, D.

    2005-01-01

    Atom skimmers are devices that act as low-pass velocity filters for atoms in thermal atomic beams. An atom skimmer operating in conjunction with a suitable thermal atomic-beam source (e.g., an oven in which cesium is heated) can serve as a source of slow atoms for a magneto-optical trap or other apparatus in an atomic-physics experiment. Phenomena that are studied in such apparatuses include Bose-Einstein condensation of atomic gases, spectra of trapped atoms, and collisions of slowly moving atoms. An atom skimmer includes a curved, low-thermal-conduction tube that leads from the outlet of a thermal atomic-beam source to the inlet of a magneto-optical trap or other device in which the selected low-velocity atoms are to be used. Permanent rare-earth magnets are placed around the tube in a yoke of high-magnetic-permeability material to establish a quadrupole or octupole magnetic field leading from the source to the trap. The atoms are attracted to the locus of minimum magnetic-field intensity in the middle of the tube, and the gradient of the magnetic field provides centripetal force that guides the atoms around the curve along the axis of the tube. The threshold velocity for guiding is dictated by the gradient of the magnetic field and the radius of curvature of the tube. Atoms moving at lesser velocities are successfully guided; faster atoms strike the tube wall and are lost from the beam.

  19. Viewing minerals, atom by atom

    NASA Astrophysics Data System (ADS)

    Maggs, William Ward

    With state-of-the-art technology supported by scissors and bungy cords, Earth scientists are beginning to look at mineral surfaces and mineral-fluid interactions on an atomic scale.The instrument that can provide such a detailed view is the scanning tunneling microscope (STM), which made a great theoretical and practical splash when it was introduced in 1981 by Gerd Binnig and Heinrich Rohrer, physicists at IBM's laboratory in Zurich. They won a Nobel Prize in Physics for their work 5 years later.

  20. Atomic magnetometer

    DOEpatents

    Schwindt, Peter; Johnson, Cort N.

    2012-07-03

    An atomic magnetometer is disclosed which uses a pump light beam at a D1 or D2 transition of an alkali metal vapor to magnetically polarize the vapor in a heated cell, and a probe light beam at a different D2 or D1 transition to sense the magnetic field via a polarization rotation of the probe light beam. The pump and probe light beams are both directed along substantially the same optical path through an optical waveplate and through the heated cell to an optical filter which blocks the pump light beam while transmitting the probe light beam to one or more photodetectors which generate electrical signals to sense the magnetic field. The optical waveplate functions as a quarter waveplate to circularly polarize the pump light beam, and as a half waveplate to maintain the probe light beam linearly polarized.

  1. Viscosity Relaxation in Molten HgZnTe

    NASA Technical Reports Server (NTRS)

    Su, Ching-Hua; Lehoczky, S. L.; Kim, Yeong Woo; Baird, James K.; Whitaker, Ann F. (Technical Monitor)

    2001-01-01

    Rotating cup measurements of the viscosity of the pseudo-binary melt, HgZnTe have shown that the isothermal liquid with zinc mole fraction 0.16 requires tens of hours of equilibration time before a steady viscous state can be achieved. Over this relaxation period, the viscosity at 790 C increases by a factor of two, while the viscosity at 810 C increases by 40%. Noting that the Group VI elements tend to polymerize when molten, we suggest that the viscosity of the melt is enhanced by the slow formation of Te atom chains. To explain the build-up of linear Te n-mers, we propose a scheme, which contains formation reactions with second order kinetics that increase the molecular weight, and decomposition reactions with first order kinetics that inactivate the chains. The resulting rate equations can be solved for the time dependence of each molecular weight fraction. Using these molecular weight fractions, we calculate the time dependence of the average molecular weight. Using the standard semi-empirical relation between polymer average molecular weight and viscosity, we then calculate the viscosity relaxation curve. By curve fitting, we find that the data imply that the rate constant for n-mer formation is much smaller than the rate constant for n-mer deactivation, suggesting that Te atoms only weakly polymerize in molten HgZnTe. The steady state toward which the melt relaxes occurs as the rate of formation of an n-mer becomes exactly balanced by the sum of the rate for its deactivation and the rate for its polymerization to form an (n+1)-mer.

  2. Nanoscale chemical phase separation in FeTe0.55Se0.45 as seen via scanning tunneling spectroscopy

    NASA Astrophysics Data System (ADS)

    He, Xiaobo; Li, Guorong; Zhang, Jiandi; Karki, A. B.; Jin, Rongying; Sales, B. C.; Sefat, A. S.; McGuire, M. A.; Mandrus, D.; Plummer, E. W.

    2011-06-01

    Atomically resolved structural and electronic properties of FeTe1-xSex (x = 0 and 0.45) have been studied with scanning tunneling microscopy/spectroscopy (STM/STS). In contrast to the extreme flatness of the Te-terminated FeTe surface, nanoscale chemical phase separation between Te and Se atoms is unambiguously revealed on the surface of FeTe0.55Se0.45. A statistical counting of the two kinds of atoms has the same ratio as that in the bulk. Remarkably, there is no electronic phase separation seen in the tunneling spectroscopy. This indicates that the optimally doped superconductor is chemically inhomogeneous but electronically homogeneous, in contrast to many correlated electron materials.

  3. Localization and magnetism of the resonant impurity states in Ti doped PbTe

    SciTech Connect

    Wiendlocha, Bartlomiej

    2014-09-29

    The problem of localization of the resonant impurity states is discussed for an illustrative example of Titanium doped Lead Telluride. Electronic structure of PbTe:Ti is studied using first principles methods, densities of states, and Bloch spectral functions are analyzed. We show that Ti creates resonant states in the conduction band of PbTe, however, spectral functions of the system strongly suggest localization of these states and show poor hybridization with PbTe electronic structure. The contrast between results presented here and previously reported spectral functions for PbTe:Tl correlate very well with the different effect of those impurities on thermopower (S) of PbTe, which is large increase is S for PbTe:Tl and almost no effect on S for PbTe:Ti. Moreover, magnetic properties of the system are studied and formation of magnetic moments on Ti atoms is found, both for ordered (ferromagnetic) and disordered (paramagnetic-like) phases, showing that PbTe:Ti can be a magnetic semiconductor.

  4. Thermal Conductivity and Electrical Resistivity of FeTe1-xSx Sintered Samples

    NASA Astrophysics Data System (ADS)

    Kikegawa, Takako; Sato, Kazuki; Ishikawa, Keisuke

    The temperature dependence of thermal conductivity and the temperature and magnetic field dependence of electrical resistivity have been measured for FeTe1-xSx polycrystalline samples. The samples were prepared by solid state reaction with a three-step procedure. For FeTe0.8S0.2 and FeTe0.7S0.3, zero resistivity due to the superconducting transition was observed not only in oxygen post-annealed samples but also in as-grown ones. These samples include the certain amount of impurities FeTe2 and Fe3O4. The formation of these ion compounds reduces the excess Fe atoms leading to the appearance of the zero resistivity in as-grown samples. Positive magnetoresistivity and/or negative magnetoresistivity, which were extremely small, were observed for FeTe and S-doped samples. The magnetoresistivity curves show B2 dependence. It was observed that the thermal conductivity κ of FeTe exhibits a hump structure below 72 K which corresponds to the crystal structural and magnetic transitions. The enhancement of κ due to the superconducting transition could not be detected for as-grown FeTe0.8S0.2 and FeTe0.7S0.3 because of the absence of the bulk superconductivity in the as-grown samples and the extremely small ratio of the electronic contribution to κ.

  5. Characterization of Highly Efficient CdTe Thin Film Solar Cells by Low-Temperature Photoluminescence

    NASA Astrophysics Data System (ADS)

    Okamoto, Tamotsu; Matsuzaki, Yuichi; Amin, Nowshad; Yamada, Akira; Konagai, Makoto

    1998-07-01

    Highly efficient CdTe thin film solar cells prepared by close-spaced sublimation (CSS) method with a glass/ITO/CdS/CdTe/Cu-doped carbon/Ag structure were characterized by low-temperature photoluminescence (PL) measurement. A broad 1.42 eV band probably due to VCd Cl defect complexes appeared as a result of CdCl2 treatment. CdS/CdTe junction PL revealed that a CdSxTe1-x mixed crystal layer was formed at the CdS/CdTe interface region during the deposition of CdTe by CSS and that CdCl2 treatment promoted the formation of the mixed crystal layer. Furthermore, in the PL spectra of the heat-treated CdTe after screen printing of the Cu-doped carbon electrode, a neutral-acceptor bound exciton (ACu0, X) line at 1.590 eV was observed, suggesting that Cu atoms were incorporated into CdTe as effective acceptors after the heat treatment.

  6. Atomic layer epitaxy of II-VI quantum wells and superlattices

    NASA Astrophysics Data System (ADS)

    Faschinger, W.

    1993-01-01

    Atomic Layer Epitaxy (ALE) under ultra high vacuum conditions is a variation of MBE which makes use of a self-regulating growth process, leading to digital growth in steps of monolayers or even fractions of monolayers. We report on fundamental aspects of the ALE growth of tellurides and selenides, and give three examples on the physics of ALE-grown structures: (a) Phonon confinement in CdTe/ZnTe superlattices (b) "Spin Sheet" superlattices of cubic MnTe with CdTe and (c) Luminescence tuning in ultra-thin CdSe quantum wells embedded in ZnSe.

  7. Synthesis, crystal and electronic structure, and physical properties of the new lanthanum copper telluride La{sub 3}Cu{sub 5}Te{sub 7}

    SciTech Connect

    Zelinska, Mariya; Assoud, Abdeljalil; Kleinke, Holger

    2011-03-15

    The new lanthanum copper telluride La{sub 3}Cu{sub 5-x}Te{sub 7} has been obtained by annealing the elements at 1073 K. Single-crystal X-ray diffraction studies revealed that the title compound crystallizes in a new structure type, space group Pnma (no. 62) with lattice dimensions of a=8.2326(3) A, b=25.9466(9) A, c=7.3402(3) A, V=1567.9(1) A{sup 3}, Z=4 for La{sub 3}Cu{sub 4.86(4)}Te{sub 7}. The structure of La{sub 3}Cu{sub 5-x}Te{sub 7} is remarkably complex. The Cu and Te atoms build up a three-dimensional covalent network. The coordination polyhedra include trigonal LaTe{sub 6} prisms, capped trigonal LaTe{sub 7} prisms, CuTe{sub 4} tetrahedra, and CuTe{sub 3} pyramids. All Cu sites exhibit deficiencies of various extents. Electrical property measurements on a sintered pellet of La{sub 3}Cu{sub 4.86}Te{sub 7} indicate that it is a p-type semiconductor in accordance with the electronic structure calculations. -- Graphical abstract: Oligomeric unit comprising interconnected CuTe{sub 3} pyramids and CuTe{sub 4} tetrahedra. Display Omitted Research highlights: {yields} La{sub 3}Cu{sub 5-x}Te{sub 7} adopts a new structure type. {yields} All Cu sites exhibit deficiencies of various extents. {yields} The coordination polyhedra include trigonal LaTe{sub 6} prisms, capped trigonal LaTe{sub 7} prisms, CuTe{sub 4} tetrahedra and CuTe{sub 3} pyramids. {yields} La{sub 3}Cu{sub 5-x}Te{sub 7} is a p-type semiconductor.

  8. IR spectroscopy of lattice vibrations and comparative analysis of the ZnTe/CdTe quantum-dot superlattices on the GaAs substrate and with the ZnTe and CdTe buffer layers

    SciTech Connect

    Kozyrev, S. P.

    2009-07-15

    A comparative analysis of multiperiod ZnTe/CdTe superlattices with the CdTe quantum dots grown by molecular beam epitaxy on the GaAs substrate with the ZnTe and CdTe buffer layers is carried out. The elastic-stress-induced shifts of eigenfrequencies of the modes of the CdTe- and ZnTe-like vibrations of materials forming similar superlattices but grown on different buffer ZnTe and CdTe layers are compared. The conditions of formation of quantum dots in the ZnTe/CdTe superlattices on the ZnTe and CdTe buffer layers differ radically.

  9. Viscosity Relaxation in Molten HgZnTe

    NASA Technical Reports Server (NTRS)

    Baird, James K.

    2002-01-01

    Because of its narrow electronic band-gap, HgZnTe solid solutions have been proposed as effective detectors for infrared radiation. To produce the best single crystals of these materials for this application, knowledge of the phase diagram that governs the freezing of the liquid is essential. Besides the phase diagram, however, some information concerning the thermophysical properties of the melt, such as viscosity, density, specific heat, and enthalpy of mixing, can also be useful. Of these thermophysical properties, the viscosity is perhaps of the most interest scientifically. Measurements using the oscillating cup method have shown that the isothermal melt requires tens of hours of equilibration time before a steady value of the viscosity can be achieved. Over this equilibration time, which depends upon temperature, the viscosity can increase by as much as a factor of two before reaching a steady state. We suggest that this relaxation phenomenon may be due to a slight polymerization of Te atoms in the melt. To account for the time dependence of the viscosity in the HgZnTe melt, we propose that the liquid acts as a solvent that favors the formation of Te atom chains. We suggest that as the melt is cooled from a high temperature to the temperature for measurement of the viscosity, a free radical polymerization of Te atoms begins. To estimate this average molecular weight, we use a simple free radical polymerization mechanism, including a depolymerization step, to calculate the time dependence to the concentration of each Te polymer molecular weight fraction. From these molecular weight fractions, we compute the weight average molecular weight of the distribution. Using the semi-empirical relation between average molecular weight and viscosity, we obtain a formula for the time dependence of the viscosity of the melt. Upon examining this formula, we find that the viscosity achieves a steady value when a balance is achieved between the rate of formation of the chains

  10. A computational ab initio study of surface diffusion of sulfur on the CdTe (111) surface

    NASA Astrophysics Data System (ADS)

    Naderi, Ebadollah; Ghaisas, S. V.

    2016-08-01

    In order to discern the formation of epitaxial growth of CdS shell over CdTe nanocrystals, kinetics related to the initial stages of the growth of CdS on CdTe is investigated using ab-initio methods. We report diffusion of sulfur adatom on the CdTe (111) A-type (Cd-terminated) and B-type (Te-terminated) surfaces within the density functional theory (DFT). The barriers are computed by applying the climbing Nudge Elastic Band (c-NEB) method. From the results surface hopping emerges as the major mode of diffusion. In addition, there is a distinct contribution from kick-out type diffusion in which a CdTe surface atom is kicked out from its position and is replaced by the diffusing sulfur atom. Also, surface vacancy substitution contributes to the concomitant dynamics. There are sites on the B- type surface that are competitively close in terms of the binding energy to the lowest energy site of epitaxy on the surface. The kick-out process is more likely for B-type surface where a Te atom of the surface is displaced by a sulfur adatom. Further, on the B-type surface, subsurface migration of sulfur is indicated. Furthermore, the binding energies of S on CdTe reveal that on the A-type surface, epitaxial sites provide relatively higher binding energies and barriers than on B-type.

  11. Crystal structure of ∼RCu3S3 and ∼RCuTe2 (R=Gd-Lu) compounds

    NASA Astrophysics Data System (ADS)

    Gulay, L. D.; Daszkiewicz, M.; Shemet, V. Ya.

    2012-02-01

    The crystal structures of ternary compounds TbCu3S3, Dy1.06Cu2.84S3 (space group R3¯), Ho0.67Cu2S2 (space group P3¯m1), ErCu3S3 (space group P3¯1c), Yb0.80Cu1.60S2, Lu0.67Cu2S2, TbCuTe2, DyCuTe2, Tm1.07Cu0.78Te2, LuCuTe2 (space group P3¯m1), Gd0.75Cu1.74Te2 (space group P3¯1m) were determined by means of X-ray single crystal diffraction. The S(Te) atoms are stacked in a close packed arrangement with the layers in the sequence AB. The R atoms are distributed over octahedral interstices whereas Cu atoms are located in tetrahedral interstices. Disorder of R and Cu atoms in studied chalcogenides is found. Crystal structure comparison showed that TbCuTe2 and DyCuTe2 crystallize as superstructure 2a×2a×2c to CaAl2Si2 structure type, whereas Gd0.75Cu1.74Te2, ErCu3S3 and TbCu3S3 (Dy1.06Cu2.84S3) have superstructure √3a×√3a×nc with n=1, 2, 3.

  12. Nanoscale Stabilization of New Phases in the PbTe-Sb2Te3 System: PbmSb2nTem+3n Nanocrystals

    SciTech Connect

    Soriano, Ronald B; Arachchige, Indika U; Malliakas, Christos D; Wu, Jinsong; Kanatzidis, Mercouri G

    2012-12-28

    A series of novel rock-salt-type PbmSb2nTem+3n nanocrystals (m = 2, 3, 4, 6, 8, and 10; n = 1 and 2) were successfully prepared using a colloidal synthesis route. These materials are stable only on the nanoscale and have no bulk analogues. Elemental compositions were determined using scanning transmission electron microscopy/energy-dispersive X-ray spectroscopy (STEM/EDS) and inductively coupled plasma atomic emission spectroscopy (ICP-AES). The nanocrystals exhibit well-defined band energies in the mid-IR region that are nearly independent of their atomic compositions. PbmSb2nTem+3n nanocrystals behave as metastable homogeneous solid solutions at room temperature and tend to phase separate into the respective binary PbTe + Sb2Te3 at 300 °C. Furthermore, pair distribution function (PDF) analysis suggests that the local structure of these PbmSb2nTem+3n nanocrystals is distorted with respect to the rock-salt structure.

  13. Room Temperature Ferroelectricity in Ultrathin SnTe Films

    NASA Astrophysics Data System (ADS)

    Chang, Kai; Liu, Junwei; Lin, Haicheng; Zhao, Kun; Zhong, Yong; Ji, Shuai-Hua; He, Ke; Wang, Lili; Ma, Xucun; Fu, Liang; Chen, Xi; Xue, Qi-Kun

    2015-03-01

    The ultrathin SnTe films with several unit cell thickness grown on graphitized SiC(0001) surface have been studied by the scanning tunneling microscopy and spectroscopy (STM/S). The domain structures, local lattice distortion and the electronic band bending at film edges induced by the in-plane spontaneous polarization along < 110 > have been revealed at atomic scale. The experiments at variant temperature show that the Curie temperature Tc of the one unit cell thick (two atomic layers) SnTe film is as high as 280K, much higher than that of the bulk counterpart (~100K) and the 2-4 unit cell thick films even indicate robust ferroelectricity at room temperature. This Tc enhancement is attributed to the stress-free interface, larger electronic band gap and greatly reduced Sn vacancy concentration in the ultrathin films. The lateral domain size varies from several tens to several hundreds of nanometers, and the spontaneous polarization direction could be modified by STM tip. Those properties of ultrathin SnTe films show the potential application on ferroelectric devices. The work was financially supported by Ministry of Science and Technology of China, National Science Foundation and Ministry of Education of China.

  14. Raman scattering of few-layers MoTe2

    NASA Astrophysics Data System (ADS)

    Grzeszczyk, M.; Gołasa, K.; Zinkiewicz, M.; Nogajewski, K.; Molas, M. R.; Potemski, M.; Wysmołek, A.; Babiński, A.

    2016-06-01

    We report on room-temperature Raman scattering measurements in few-layer crystals of exfoliated molybdenum ditelluride (MoTe2) performed with the use of 632.8 nm (1.96 eV) laser light excitation. In agreement with a recent study reported by Froehlicher et al (2015 Nano Lett. 15 6481) we observe a complex structure of the out-of-plane vibrational modes ({{{A}}}1{{g}}{/{{A}}}1\\prime ), which can be explained in terms of interlayer interactions between single atomic planes of MoTe2. In the case of low-energy shear and breathing modes of rigid interlayer vibrations, it is shown that their energy evolution with the number of layers can be well reproduced within a linear chain model with only the nearest neighbor interaction taken into account. Based on this model the corresponding in-plane and out-of-plane force constants are determined. We also show that the Raman scattering in MoTe2 measured using 514.5 nm (2.41 eV) laser light excitation results in much simpler spectra. We argue that the rich structure of the out-of-plane vibrational modes observed in Raman scattering spectra excited with the use of 632.8 nm laser light results from its resonance with the electronic transition at the M point of the MoTe2 first Brillouin zone.

  15. Hohlraum Te Inferred from Au L-Shell Emission

    NASA Astrophysics Data System (ADS)

    Regan, S. P.; Epstein, R.; Meyerhofer, D. D.; Sangster, T. C.; May, M. J.; Schneider, M. B.; Barrios, M. A.; Moody, J. D.; Baker, K. L.; Berzak Hopkins, L.; Brown, G. V.; Callahan, D.; Doeppner, T.; Fournier, K. B.; Hinkel, D. E.; Jones, O. S.; Kauffman, R.; Khan, S.; Kilkenny, J. D.; Landen, O. L.; Liedahl, D. A.; Nagel, S. R.; Ross, J. S.; Smalyuk, V. A.

    2014-10-01

    Laser-ablation plasmas created at the inner wall of the hohlraum (Au bubble) and at the laser entrance hole (LEH) radiate L-shell emission from Ne-like to Co-like charge states of Au. A 1-D spatially resolved and time-integrated spectrum in the 6- to 16-keV range with E/d E = 100 to 300 is recorded along the axis of the hohlraum. The Au L-shell spectral line shapes of the 2p3 / 2 - 3 s , 2p3 / 2 - 3d5 / 2 , and 2p1 / 2 - 3d3 / 2 transitions are analyzed using an atomic physics code to infer the Te of the radiating plasma. Preliminary results indicate the Au LEH plasma of a near-vacuum hohlraum has an inferred Te of 5 to 6 keV, while a gas-filled hohlraum has a significantly lower Te. A comparison of the Au L-shell spectra and the Te sensitivity will be presented, along with the plan to measure the L-shell emission from the Au bubble. This material is based upon work supported by the Department Of Energy National Nuclear Security Administration under Award Number DE-NA0001944. Part of this work was performed under the auspices of the U.S. Department of Energy by LLNL under Contract DE-AC52-07NA27344.

  16. Aluminum-Centered Tetrahedron-Octahedron Transition in Advancing Al-Sb-Te Phase Change Properties

    PubMed Central

    Xia, Mengjiao; Ding, Keyuan; Rao, Feng; Li, Xianbin; Wu, Liangcai; Song, Zhitang

    2015-01-01

    Group IIIA elements, Al, Ga, or In, etc., doped Sb-Te materials have proven good phase change properties, especially the superior data retention ability over popular Ge2Sb2Te5, while their phase transition mechanisms are rarely investigated. In this paper, aiming at the phase transition of Al-Sb-Te materials, we reveal a dominant rule of local structure changes around the Al atoms based on ab initio simulations and nuclear magnetic resonance evidences. By comparing the local chemical environments around Al atoms in respective amorphous and crystalline Al-Sb-Te phases, we believe that Al-centered motifs undergo reversible tetrahedron-octahedron reconfigurations in phase transition process. Such Al-centered local structure rearrangements significantly enhance thermal stability of amorphous phase compared to that of undoped Sb-Te materials, and facilitate a low-energy amorphization due to the weak links among Al-centered and Sb-centered octahedrons. Our studies may provide a useful reference to further understand the underlying physics and optimize performances of all IIIA metal doped Sb-Te phase change materials, prompting the development of NOR/NAND Flash-like phase change memory technology. PMID:25709082

  17. Aluminum-centered tetrahedron-octahedron transition in advancing Al-Sb-Te phase change properties.

    PubMed

    Xia, Mengjiao; Ding, Keyuan; Rao, Feng; Li, Xianbin; Wu, Liangcai; Song, Zhitang

    2015-01-01

    Group IIIA elements, Al, Ga, or In, etc., doped Sb-Te materials have proven good phase change properties, especially the superior data retention ability over popular Ge2Sb2Te5, while their phase transition mechanisms are rarely investigated. In this paper, aiming at the phase transition of Al-Sb-Te materials, we reveal a dominant rule of local structure changes around the Al atoms based on ab initio simulations and nuclear magnetic resonance evidences. By comparing the local chemical environments around Al atoms in respective amorphous and crystalline Al-Sb-Te phases, we believe that Al-centered motifs undergo reversible tetrahedron-octahedron reconfigurations in phase transition process. Such Al-centered local structure rearrangements significantly enhance thermal stability of amorphous phase compared to that of undoped Sb-Te materials, and facilitate a low-energy amorphization due to the weak links among Al-centered and Sb-centered octahedrons. Our studies may provide a useful reference to further understand the underlying physics and optimize performances of all IIIA metal doped Sb-Te phase change materials, prompting the development of NOR/NAND Flash-like phase change memory technology. PMID:25709082

  18. Aluminum-Centered Tetrahedron-Octahedron Transition in Advancing Al-Sb-Te Phase Change Properties

    NASA Astrophysics Data System (ADS)

    Xia, Mengjiao; Ding, Keyuan; Rao, Feng; Li, Xianbin; Wu, Liangcai; Song, Zhitang

    2015-02-01

    Group IIIA elements, Al, Ga, or In, etc., doped Sb-Te materials have proven good phase change properties, especially the superior data retention ability over popular Ge2Sb2Te5, while their phase transition mechanisms are rarely investigated. In this paper, aiming at the phase transition of Al-Sb-Te materials, we reveal a dominant rule of local structure changes around the Al atoms based on ab initio simulations and nuclear magnetic resonance evidences. By comparing the local chemical environments around Al atoms in respective amorphous and crystalline Al-Sb-Te phases, we believe that Al-centered motifs undergo reversible tetrahedron-octahedron reconfigurations in phase transition process. Such Al-centered local structure rearrangements significantly enhance thermal stability of amorphous phase compared to that of undoped Sb-Te materials, and facilitate a low-energy amorphization due to the weak links among Al-centered and Sb-centered octahedrons. Our studies may provide a useful reference to further understand the underlying physics and optimize performances of all IIIA metal doped Sb-Te phase change materials, prompting the development of NOR/NAND Flash-like phase change memory technology.

  19. Sb-Te alloy nanostructures produced on a graphite surface by a simple annealing process

    NASA Astrophysics Data System (ADS)

    Kuwahara, Masashi; Uratsuji, Hideaki; Abe, Maho; Sone, Hayato; Hosaka, Sumio; Sakai, Joe; Uehara, Yoichi; Endo, Rie; Tsuruoka, Tohru

    2015-08-01

    We have produced Sb-Te alloy nanostructures from a thin Sb2Te3 layer deposited on a highly oriented pyrolytic graphite substrate using a simple rf-magnetron sputtering and annealing technique. The size, shape, and chemical composition of the structures were investigated by scanning electron microscopy (SEM), atomic force microscopy (AFM), and energy dispersive X-ray spectrometry (EDX), respectively. The shape of the nanostructures was found to depend on the annealing temperature; nanoparticles appear on the substrate by annealing at 200 °C, while nanoneedles are formed at higher temperatures. Chemical composition analysis has revealed that all the structures were in the composition of Sb:Te = 1:3, Te rich compared to the target composition Sb2Te3, probably due to the higher movability of Te atoms on the substrate compared with Sb. We also tried to observe the production process of nanostructures in situ using SEM. Unfortunately, this was not possible because of evaporation in vacuum, suggesting that the formation of nanostructures is highly sensitive to the ambient pressure.

  20. 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.

  1. Theoretical and experimental investigations of the properties of Ge2Sb2Te5 and indium-doped Ge2Sb2Te5 phase change material

    NASA Astrophysics Data System (ADS)

    Singh, Gurinder; Kaura, Aman; Mukul, Monika; Singh, Janpreet; Tripathi, S. K.

    2014-06-01

    We have carried out comprehensive computational and experimental study on the face-centered cubic Ge2Sb2Te5 (GST) and indium (In)-doped GST phase change materials. Structural calculations, total density of states and crystal orbital Hamilton population have been calculated using first-principle calculation. 5 at.% doping of In weakens the Ge-Te, Sb-Te and Te-Te bond lengths. In element substitutes Sb to form In-Te-like structure in the GST system. In-Te has a weaker bond strength compared with the Sb-Te bond. However, both GST and doped alloy remain in rock salt structure. It is more favorable to replace Sb with In than with any other atomic position. X-ray diffraction (XRD) analysis has been carried out on thin film of In-doped GST phase change materials. XRD graph reveals that In-doped phase change materials have rock salt structure with the formation of In2Te3 crystallites in the material. Temperature dependence of impedance spectra has been calculated for thin films of GST and doped material. Thickness of the as-deposited films is calculated from Swanepoel method. Absorption coefficient (α) has been calculated for amorphous and crystalline thin films of the alloys. The optical gap (indirect band gap) energy of the amorphous and crystalline thin films has also been calculated by the equation α hν = β (hν - E_{{g }} )2 . Optical contrast (C) of pure and doped phase change materials have also been calculated. Sufficient optical contrast has been found for pure and doped phase change materials.

  2. Photoluminescence characteristics of ZnTe bulk crystal and ZnTe epilayer grown on GaAs substrate by MOVPE

    NASA Astrophysics Data System (ADS)

    Lü, Hai-Yan; Mu, Qi; Zhang, Lei; Lü, Yuan-Jie; Ji, Zi-Wu; Feng, Zhi-Hong; Xu, Xian-Gang; Guo, Qi-Xin

    2015-12-01

    Excitation power and temperature-dependent photoluminescence (PL) spectra of the ZnTe epilayer grown on (100) GaAs substrate and ZnTe bulk crystal are investigated. The measurement results show that both the structures are of good structural quality due to their sharp bound excitonic emissions and absence of the deep level structural defect-related emissions. Furthermore, in contrast to the ZnTe bulk crystal, although excitonic emissions for the ZnTe epilayer are somewhat weak, perhaps due to As atoms diffusing from the GaAs substrate into the ZnTe epilayer and/or because of the strain-induced degradation of the crystalline quality of the ZnTe epilayer, neither the donor-acceptor pair (DAP) nor conduction band-acceptor (e-A) emissions are observed in the ZnTe epilayer. This indicates that by further optimizing the growth process it is possible to obtain a high-crystalline quality ZnTe heteroepitaxial layer that is comparable to the ZnTe bulk crystal. Project supported by the Specialized Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20120131110006), the Key Science and Technology Program of Shandong Province, China (Grant No. 2013GGX10221), the Key Laboratory of Functional Crystal Materials and Device (Shandong University, Ministry of Education), China (Grant No. JG1401), the National Natural Science Foundation of China (Grant No. 61306113), the Major Research Plan of the National Natural Science Foundation of China (Grant No. 91433112), and the Partnership Project for Fundamental Technology Researches of the Ministry of Education, Culture, Sports, Science and Technology, Japan.

  3. "Bohr's Atomic Model."

    ERIC Educational Resources Information Center

    Willden, Jeff

    2001-01-01

    "Bohr's Atomic Model" is a small interactive multimedia program that introduces the viewer to a simplified model of the atom. This interactive simulation lets students build an atom using an atomic construction set. The underlying design methodology for "Bohr's Atomic Model" is model-centered instruction, which means the central model of the…

  4. Structural and optical properties of Ge60Te40: experimental and theoretical verification

    NASA Astrophysics Data System (ADS)

    Yi, Xinyu; Wang, Zhanyu; Dong, Fei; Cheng, Shuai; Wang, Jun; Liu, Chaochao; Li, Jing; Wang, Songyou; Yang, Tieying; Su, Wan-Sheng; Chen, Liangyao

    2016-04-01

    The temperature-dependent structural and optical properties of Ge60Te40 during transformation from amorphous to crystalline phases are studied by spectroscopic ellipsometry, grazing incidence x-ray diffraction (GIXRD), x-ray photoelectron spectroscopy (XPS), high resolution transmission electron microscopy (HRTEM) as well as ab initio molecular dynamics (MD) simulations. Our findings, derived from GIXRD results and dielectric functions, indicate that the crystallization process of Ge60Te40 occurs at ~260 °C and the crystalline phase adopts the rhombohedral GeTe phase along with the cubic Ge phase. Our calculations further indicate that the Ge atoms also prefer to clump together in amorphous Ge60Te40. Such a segregation of Ge leads to a high-temperature phase-change in Ge60Te40 samples. According to the XPS results, the local atomic environment between amorphous and crystalline states gets a little bit of change. And the result of the atomic cluster alignment suggests that both the amorphous and crystalline phases have the rhombohedral local structure.

  5. Optical phonons in PbTe/CdTe multilayer heterostructures

    SciTech Connect

    Novikova, N. N.; Yakovlev, V. A.; Kucherenko, I. V.; Karczewski, G.; Aleshchenko, Yu. A.; Muratov, A. V.; Zavaritskaya, T. N.; Melnik, N. N.

    2015-05-15

    The infrared reflection spectra of PbTe/CdTe multilayer nanostructures grown by molecular-beam epitaxy are measured in the frequency range of 20–5000 cm{sup −1} at room temperature. The thicknesses and high-frequency dielectric constants of the PbTe and CdTe layers and the frequencies of the transverse optical (TO) phonons in these structures are determined from dispersion analysis of the spectra. It is found that the samples under study are characterized by two TO phonon frequencies, equal to 28 and 47 cm{sup −1}. The first frequency is close to that of TO phonons in bulk PbTe, and the second is assigned to the optical mode in structurally distorted interface layers. The Raman-scattering spectra upon excitation with the radiation of an Ar{sup +} laser at 514.5 nm are measured at room and liquid-nitrogen temperatures. The weak line at 106 cm{sup −1} observed in these spectra is attributed to longitudinal optical phonons in the interface layers.

  6. The Influence of Sn Additions on the Thermoelectric and Transport Properties of FeSb2Te-based Ternary Skutterudites

    NASA Astrophysics Data System (ADS)

    Navrátil, J.; Plecháček, T.; Drašar, Č.; Kucek, V.; Laufek, F.; Černošková, E.; Beneš, L.; Vlček, M.

    2016-06-01

    The influence of Sn additions was studied in a series of samples of a nominal composition FeSb2Te1- x Sn x ( x = 0, 0.05, 0.1, 0.15, 0.2). SnTe compound was primarily identified in the matrix compound of the ternary skutterudite structure in the multiphase composite samples. It was determined that Sn atoms preferentially react with Te atoms which are present in order to form SnTe compound instead of entering the skutterudite structure. A detailed analysis of the composition of the ternary skutterudite matrix compound evoked by the striking similarities of the observed changes between the samples and another two published systems (FeSb2Te1- x Ge x and FeSb2+ x Te1- x ) revealed the crucial role of the Sb/Te ratio as the dominant factor driving the observed changes of the measured properties. The anomalous changes of the measured transport properties values were explained in terms of an effective medium theory for two-phase FeSb2Te-SnTe composites. A maximum value of thermoelectric figure-of-merit, ZT = 0.47 at 673 K, was attained for the sample of a nominal composition FeSb2Te0.85Sn0.15.

  7. Glass frit nebulizer for atomic spectrometry

    USGS Publications Warehouse

    Layman, L.R.

    1982-01-01

    The nebuilizatlon of sample solutions Is a critical step In most flame or plasma atomic spectrometrlc methods. A novel nebulzatlon technique, based on a porous glass frit, has been Investigated. Basic operating parameters and characteristics have been studied to determine how thte new nebulizer may be applied to atomic spectrometrlc methods. The results of preliminary comparisons with pneumatic nebulizers Indicate several notable differences. The frit nebulizer produces a smaller droplet size distribution and has a higher sample transport efficiency. The mean droplet size te approximately 0.1 ??m, and up to 94% of the sample te converted to usable aerosol. The most significant limitations In the performance of the frit nebulizer are the stow sample equMbratton time and the requirement for wash cycles between samples. Loss of solute by surface adsorption and contamination of samples by leaching from the glass were both found to be limitations only In unusual cases. This nebulizer shows great promise where sample volume te limited or where measurements require long nebullzatlon times.

  8. Inelastic neutron scattering of the itinerant magnets Cr2Te3 and tr-Cr5Te8

    NASA Astrophysics Data System (ADS)

    Aczel, Adam; Granroth, Garrett; Ghimire, Nirmal; McGuire, Michael; Mandrus, David; Nagler, Steve

    2012-02-01

    Itinerant magnets based on transition metal chalcogenide compounds are of current interest, in part due to their relationship to the parent compounds of Fe-based superconductors. Two particularly interesting systems in this family are the chromium tellurides Cr2Te3 and trigonal (tr) Cr5Te8. These materials crystallize in layered structures with alternating partially and fully-occupied planes of Cr atoms stacked along the c-axis. Magnetization measurements along different crystallographic directions show a net ferromagnetic response and large magnetic anisotropy. In addition, the saturation moments are smaller than predicted by an ionic model; consistent with itinerant behavior. Previous neutron diffraction results for Cr2Te3 revealed an ordered moment of < 0.2 μB in the partially-occupied planes. We examined the magnetic excitations in these materials by powder neutron spectroscopy measurements using the SEQUOIA instrument at the SNS. We find similar moment sizes for the magnetic Cr atoms of both systems. However, despite their similar crystal structures, ordered moment sizes, and chemical compositions, their magnetic excitation spectra are strikingly different. We compare our data to the predictions of various models in an effort to determine the relevant exchange parameters, put constraints on their magnitudes, and understand the differences between the inelastic magnetic spectra. We find that exchange along the c-direction is critical to explain our data.

  9. Exposure of LDEF materials to atomic oxygen: Results of EOIM 3

    NASA Technical Reports Server (NTRS)

    Jaggers, C. H.; Meshishnek, M. J.

    1995-01-01

    The third Effects of Oxygen Atom Interaction with Materials (EOIM 3) experiment flew on STS-46 from July 31 to August 8, 1992. The EOIM-3 sample tray was exposed to the low-earth orbit space environment for 58.55 hours at an altitude of 124 nautical miles resulting in a calculated total atomic oxygen (AO) fluence of 1.99 x 10(exp 20) atoms/sq cm. Five samples previously flown on the Long Duration Exposure Facility (LDEF) Experiment M0003 were included on the Aerospace EOIM 3 experimental tray: (1) Chemglaze A276 white thermal control paint from the LDEF trailing edge (TE); (2) S13GLO white thermal control paint from the LDEF TE; (3) S13GLO from the LDEF leading edge (LE) with a visible contamination layer from the LDEF mission; (4) Z306 black thermal control paint from the LDEF TE with a contamination layer from the LDEF mission; and (5) anodized aluminum from the LDEF TE with a contamination layer from the LDEF mission. The purpose of this experiment was twofold: (l) investigate the response of trailing edge LDEF materials to atomic oxygen exposure, thereby simulating LDEF leading edge phenomena; (2) investigate the response of contaminated LDEF samples to atomic oxygen in attempts to understand LDEF contamination-atomic oxygen interactions. This paper describes the response of these materials to atomic oxygen exposure, and compares the results of the EOIM 3 experiment to the LDEF mission and to ground-based atomic oxygen exposure studies.

  10. Allyl- iso-propyltelluride, a new MOVPE precursor for CdTe, HgTe and (Hg,Cd)Te

    NASA Astrophysics Data System (ADS)

    Hails, Janet E.; Cole-Hamilton, David J.; Stevenson, John; Bell, William

    2000-06-01

    The use of allyl- iso-propyltelluride as the tellurium precursor for the growth of CdTe, HgTe and (Hg,Cd)Te by metal organic vapour-phase epitaxy has been investigated. It has proved to be an efficient source of tellurium with growth rates for HgTe and (Hg,Cd)Te of up to 10 μm h -1 at 300°C. The best CdTe was grown at 4.5 μm h -1 under Me 2Cd-rich conditions at 300°C in the presence of Hg vapour.

  11. Nondestructive Characterization of Residual Threading Dislocation Density in HgCdTe Layers Grown on CdZnTe by Liquid-Phase Epitaxy

    NASA Astrophysics Data System (ADS)

    Fourreau, Y.; Pantzas, K.; Patriarche, G.; Destefanis, V.

    2016-09-01

    The performance of mercury cadmium telluride (MCT)-based infrared (IR) focal-plane arrays is closely related to the crystalline perfection of the HgCdTe thin film. In this work, Te-rich, (111)B-oriented HgCdTe epilayers grown by liquid-phase epitaxy on CdZnTe substrates have been studied. Surface atomic steps are shown on as-grown MCT materials using atomic force microscopy (AFM) and white-light interferometry (WLI), suggesting step-flow growth. Locally, quasiperfect surface spirals are also evidenced. A demonstration is given that these spirals are related to the emergence of almost pure screw threading dislocations. A nondestructive and quantitative technique to measure the threading dislocation density is proposed. The technique consists of counting the surface spirals on the as-grown MCT surface from images obtained by either AFM or WLI measurements. The benefits and drawbacks of both destructive—chemical etching of HgCdTe dislocations—and nondestructive surface imaging techniques are compared. The nature of defects is also discussed. Finally, state-of-the-art threading dislocation densities in the low 104 cm-2 range are evidenced by both etch pit density (EPD) and surface imaging measurements.

  12. Coherent phonon study of (GeTe){sub l}(Sb{sub 2}Te{sub 3}){sub m} interfacial phase change memory materials

    SciTech Connect

    Makino, Kotaro Saito, Yuta; Fons, Paul; Kolobov, Alexander V.; Nakano, Takashi; Tominaga, Junji; Hase, Muneaki

    2014-10-13

    The time-resolved reflectivity measurements were carried out on the interfacial phase change memory (iPCM) materials ([(GeTe){sub 2}(Sb{sub 2}Te{sub 3}){sub 4}]{sub 8} and [(GeTe){sub 2}(Sb{sub 2}Te{sub 3}){sub 1}]{sub 20}) as well as conventional Ge{sub 2}Sb{sub 2}Te{sub 5} alloy at room temperature and above the RESET-SET phase transition temperature. In the high-temperature phase, coherent phonons were clearly observed in the iPCM samples while drastic attenuation of coherent phonons was induced in the alloy. This difference strongly suggests the atomic rearrangement during the phase transition in iPCMs is much smaller than that in the alloy. These results are consistent with the unique phase transition model in which a quasi-one-dimensional displacement of Ge atoms occurs for iPCMs and a conventional amorphous-crystalline phase transition takes place for the alloy.

  13. Nondestructive Characterization of Residual Threading Dislocation Density in HgCdTe Layers Grown on CdZnTe by Liquid-Phase Epitaxy

    NASA Astrophysics Data System (ADS)

    Fourreau, Y.; Pantzas, K.; Patriarche, G.; Destefanis, V.

    2016-05-01

    The performance of mercury cadmium telluride (MCT)-based infrared (IR) focal-plane arrays is closely related to the crystalline perfection of the HgCdTe thin film. In this work, Te-rich, (111)B-oriented HgCdTe epilayers grown by liquid-phase epitaxy on CdZnTe substrates have been studied. Surface atomic steps are shown on as-grown MCT materials using atomic force microscopy (AFM) and white-light interferometry (WLI), suggesting step-flow growth. Locally, quasiperfect surface spirals are also evidenced. A demonstration is given that these spirals are related to the emergence of almost pure screw threading dislocations. A nondestructive and quantitative technique to measure the threading dislocation density is proposed. The technique consists of counting the surface spirals on the as-grown MCT surface from images obtained by either AFM or WLI measurements. The benefits and drawbacks of both destructive—chemical etching of HgCdTe dislocations—and nondestructive surface imaging techniques are compared. The nature of defects is also discussed. Finally, state-of-the-art threading dislocation densities in the low 104 cm-2 range are evidenced by both etch pit density (EPD) and surface imaging measurements.

  14. Ba{sub 2}TeO: A new layered oxytelluride

    SciTech Connect

    Besara, T.; Ramirez, D.; Sun, J.; Whalen, J.B.; Tokumoto, T.D.; McGill, S.A.; Singh, D.J.; Siegrist, T.

    2015-02-15

    Single crystals of the new semiconducting oxytelluride phase, Ba{sub 2}TeO, were synthesized from barium oxide powder and elemental tellurium in a molten barium metal flux. Ba{sub 2}TeO crystallizes in tetragonal symmetry with space group P4/nmm (#129), a=5.0337(1) Å, c=9.9437(4) Å, Z=2. The crystals were characterized by single crystal x-ray diffraction, heat capacity and optical measurements. The optical measurements along with electronic band structure calculations indicate semiconductor behavior with a band gap of 2.93 eV. Resistivity measurements show that Ba{sub 2}TeO is highly insulating. - Graphical abstract: Starting from a simple stacking of rocksalt layers, the final structure of Ba{sub 2}TeO can be obtained by accommodation of structural strain via atom displacements. Density of states calculations and optical absorbance measurements show that Ba{sub 2}TeO has a band gap of 2.93 eV, indicative of semiconductor behavior. - Highlights: • Single crystal synthesis of a new layered oxytelluride, Ba{sub 2}TeO. • The structure features inverse PbO-type BaO layers and NaCl-type BaTe layers. • Optical absorbance show Ba{sub 2}TeO to be a semiconductor with a 2.93 eV gap. • Density of states indicate a small hybridization between Te 5p and Ba 5d states. • The BaTe (BaO) layers dominate the heat capacity at low (high) temperatures.

  15. Atomic Energy Basics, Understanding the Atom Series.

    ERIC Educational Resources Information Center

    Atomic Energy Commission, Oak Ridge, TN. Div. of Technical Information.

    This booklet is part of the "Understanding the Atom Series," though it is a later edition and not included in the original set of 51 booklets. A basic survey of the principles of nuclear energy and most important applications are provided. These major topics are examined: matter has molecules and atoms, the atom has electrons, the nucleus,…

  16. Identification of vacancy-type defects in ZnTe using positron annihilation spectroscopy

    NASA Astrophysics Data System (ADS)

    Hamid, A. S.; Shaban, H.; Mansour, B. A.; Uedono, A.

    2005-08-01

    The species of defects in Mg0.5Zn0.5Te, Li-doped and P-doped ZnTe samples were investigated by using positron-based experiments. The positron lifetime experiments along with the atomic superposition (AT-SUP) method were used to predict the positron trapping centers in the samples. The results of lifetime of positron were combined with the 2D angular correlation of annihilation radiation (ACAR) experiments to get information on the electronic structure of these defects. The momentum density distributions permitted the vacancy-type defect to be distinguished in each sample. In addition, the results of the 2D-ACAR experiments disclosed a relaxation of the atoms around the vacancy in the P-doped ZnTe sample.

  17. Crystal growth of Bi2Te3 and noble cleaved (0001) surface properties

    NASA Astrophysics Data System (ADS)

    Atuchin, V. V.; Golyashov, V. A.; Kokh, K. A.; Korolkov, I. V.; Kozhukhov, A. S.; Kruchinin, V. N.; Loshkarev, I. D.; Pokrovsky, L. D.; Prosvirin, I. P.; Romanyuk, K. N.; Tereshchenko, O. E.

    2016-04-01

    A high quality Bi2Te3 crystal has been grown by Bridgman method with the use of rotating heat field. The phase purity and bulk structural quality of the crystal have been verified by XRD analysis and rocking curve observation. The atomically smooth Bi2Te3(0001) surface with an excellent crystallographic quality is formed by cleavage in the air. The chemical and microstructural properties of the surface have been evaluated with RHEED, AFM, STM, SE and XPS. The Bi2Te3(0001) cleaved surface is formed by atomically smooth terraces with the height of the elemental step of ~1.04±0.1 nm, as estimated by AFM. There is no surface oxidation process detected over a month keeping in the air at normal conditions, as shown by comparative core level photoelectron spectroscopy.

  18. 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?

    DOE PAGESBeta

    Lin, Wenzhi; Ganesh, P.; Gianfrancesco, Anthony; Wang, Jun; 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 thatmore » the remaining FeTem complexes are still damaging to the superconductivity and therefore that their removal potentially could further improve superconductive properties in these compounds.« less

  19. Interfacial Chemistry and the Performance of Bromine-etched CdZnTe Radiation Detector Devices

    SciTech Connect

    Rouse, Ambrosio A.; Szeles, Csaba; Ndap, Jean-Oliver; Soldner, Steve; Parnham, K B.; Gaspar, Dan J.; Engelhard, Mark H.; Lea, Alan S.; Shutthanandan, V; Thevuthasan, Suntharampillai; Baer, Donald R.

    2002-08-01

    The interfacial chemistry and composition of Pt electrodes sputter deposited on bromine-etched CdZnTe surfaces was studied by XPS, SIMS, AES, NRA and RBS. The interfacial composition of a functioning and a non-functioning CdZnTe detector shows significant differences. The degree of cation out-diffusion into the Pt overlayer and the in-diffusion of Pt into the CdZnTe correlate with the degree of oxidation found at the metal-semiconductor interface. Practically all the oxide present at the interface was found to be TeO{sub 2}. The results suggest that the inter-diffusion of the atoms and associated charges contribute to stoichiometric variations at the metal-semiconductor interface and influence the electrical performance of the devices.

  20. Elastic properties of sulphur and selenium doped ternary PbTe alloys by first principles

    SciTech Connect

    Bali, Ashoka Chetty, Raju Mallik, Ramesh Chandra

    2014-04-24

    Lead telluride (PbTe) is an established thermoelectric material which can be alloyed with sulphur and selenium to further enhance the thermoelectric properties. Here, a first principles study of ternary alloys PbS{sub x}Te{sub (1−x)} and PbSe{sub x}Te{sub (1−x)} (0≤x≤1) based on the Virtual Crystal Approximation (VCA) is presented for different ratios of the isoelectronic atoms in each series. Equilibrium lattice parameters and elastic constants have been calculated and compared with the reported data. Anisotropy parameter calculated from the stiffness constants showed a slight improvement in anisotropy of elastic properties of the alloys over undoped PbTe. Furthermore, the alloys satisfied the predicted stability criteria from the elastic constants, showing stable structures, which agreed with the previously reported experimental results.

  1. Heteroepitaxy of CdTe(1 1 1)B on Si(1 1 1) : As

    NASA Astrophysics Data System (ADS)

    Schick, H.; Bensing, F.; Hilpert, U.; Richter, U.; Hansen, L.; Wagner, J.; Wagner, V.; Geurts, J.; Waag, A.; Landwehr, G.

    2000-06-01

    In order to improve the structural quality of CdTe/Si composite substrates, we have investigated the MBE growth mechanisms of CdTe(1 1 1) onto planar and vicinal arsenic-passivated Si(1 1 1) surfaces. The films were characterized by in situ RHEED, X-ray diffraction, Raman spectroscopy, photoluminescence, secondary electron microscopy, transmission electron microscopy and atomic force microscopy. Rocking curves had peaks narrower than 100 arcsec at a layer thickness of only 1-2 μm. BeTe buffer layers did not show a dominant effect, whereas the twin content decreased drastically when misoriented substrates were used. Efficient twin suppression can be obtained by realizing an interface step alignment between substrate and epitaxial CdTe film.

  2. Nanoscale Superconducting Honeycomb Charge Order in IrTe2.

    PubMed

    Kim, Hyo Sung; Kim, Sooran; Kim, Kyoo; Min, Byung Il; Cho, Yong-Heum; Wang, Lihai; Cheong, Sang-Wook; Yeom, Han Woong

    2016-07-13

    Entanglement of charge orderings and other electronic orders such as superconductivity is in the core of challenging physics issues of complex materials including high temperature superconductivity. Here, we report on the observation of a unique nanometer scale honeycomb charge ordering of the cleaved IrTe2 surface, which hosts a superconducting state. IrTe2 was recently established to exhibit an intriguing cascade of stripe charge orders. The stripe phases coexist with a hexagonal phase, which is formed locally and falls into a superconducting state below 3 K. The atomic and electronic structures of the honeycomb and hexagon pattern of this phase are consistent with the charge order nature, but the superconductivity does not survive on neighboring stripe charge order domains. The present work provides an intriguing physics issue and a new direction of functionalization for two-dimensional materials. PMID:27221583

  3. Nanoscale Superconducting Honeycomb Charge Order in IrTe2

    NASA Astrophysics Data System (ADS)

    Kim, Hyo Sung; Kim, Sooran; Kim, Kyoo; Min, Byung Il; Cho, Yong-Heum; Wang, Lihai; Cheong, Sang-Wook; Yeom, Han Woong

    2016-07-01

    Entanglement of charge orderings and other electronic orders such as superconductivity is in the core of challenging physics issues of complex materials including high temperature superconductivity. Here, we report on the observation of a unique nanometer scale honeycomb charge ordering of the cleaved IrTe2 surface, which hosts a superconducting state. IrTe2 was recently established to exhibit an intriguing cascade of stripe charge orders. The stripe phases coexist with a hexagonal phase, which is formed locally and falls into a superconducting state below 3 K. The atomic and electronic structures of the honeycomb and hexagon pattern of this phase are consistent with the charge order nature but the superconductivity does not survive on neighboring stripe charge order domains. The present work provides an intriguing physics issue and a new direction of functionalization for two dimensional materials.

  4. 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.

  5. 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.

  6. TixSb2Te Thin Films for Phase Change Memory Applications

    NASA Astrophysics Data System (ADS)

    Tang, Shi-Yu; Li, Run; Ou, Xin; Xu, Han-Ni; Xia, Yi-Dong; Yin, Jiang; Liu, Zhi-Guo

    2014-07-01

    Sb2Te films with different Ti contents (TixSb2Te) are derived via the target-attachment method by using the magnetron sputtering technique. The effects of the Ti content on the phase change characteristics and the microstructures are investigated by x-ray diffraction, x-ray photoelectron spectroscopy, scanning electron microscopy and atom force microcopy. Resistance-temperature measurements are carried out to reveal the enhanced crystallization temperature of TixSb2Te films, indicating a better thermal stability in such films. Both the activation energy and the temperature for 10 y data retention increase with increasing the concentration of Ti. It indicates that the crystallization of the amorphous Sb2Te film could be suppressed by the introduction of Ti. The improvement of crystallization temperature and the thermal stability of the amorphous Sb2Te film results from the introduction of Ti in Sb-Te bond that decreases the binding energy of Sb 4d and Te 4d.

  7. Determination of iridium in mafic rocks by atomic absorption

    USGS Publications Warehouse

    Grimaldi, F.S.; Schnepfe, M.M.

    1970-01-01

    Iridium is determined in mineralized mafic rocks by atomic absorption after fire-assay concentration into a gold bead. Interelement interferences in the atomic-absorption determination are removed and Ir sensitivity is increased by buffering the solutions with a mixture of copper and sodium sulphates. Substantial amounts of Ag, Al, Au, Bi, Ca, Cd, Co, Cr, Fe, Ho, Hg, K, La, Mg, Mn, Mo, Ni, Pb, Te, Ti, V, Y, Zn and platinum metals can be tolerated in the atomic-absorption determination. The sensitivity and detection limits are 3.2 and 0.25 ppm of Ir, respectively. ?? 1970.

  8. Mesityltellurenyl cations stabilized by triphenylpnictogens [MesTe(EPh(3))](+) (E = P, As, Sb).

    PubMed

    Beckmann, Jens; Bolsinger, Jens; Duthie, Andrew; Finke, Pamela; Lork, Enno; Lüdtke, Carsten; Mallow, Ole; Mebs, Stefan

    2012-11-19

    The homoleptic 1:1 Lewis pair (LP) complex [MesTe(TeMes2)]O3SCF3 (1) featuring the cation [MesTe(TeMes2)](+) (1a) was obtained by the reaction of Mes2Te with HO3SCF3. The reaction of 1 with Ph3E (E = P, As, Sb, Bi) proceeded with substitution of Mes2Te and provided the heteroleptic 1:1 LP complexes [MesTe(EPh3)]O3SCF3 (2, E = P; 3, E = As) and [MesTe(SbPh3)][Ph2Sb(O3SCF3)2] (4) featuring the cations [MesTe(EPh3)](+) (2a, E = P; 3a, E = As; 4a, E = Sb) and the anion [Ph2Sb(O3SCF3)2](-) (4b). In the reaction with Ph3Bi, the crude product contained the cation [MesTe(BiPh3)](+) (5a) and the anion [Ph2Bi(O3SCF3)2](-) (5b); however, the heteroleptic 1:1 LP complex [MesTe(BiPh3)][Ph2Bi(O3SCF3)2] (5) could not be isolated because of its limited stability. Instead, fractional crystallization furnished a large amount of Ph2BiO3SCF3 (6), which was also obtained by the reaction of Ph3Bi with HO3SCF3. The formation of the anions 4b and 5b involves a phenyl group migration from Ph3E (E = Sb, Bi) to the MesTe(+) cation and afforded MesTePh as the byproduct, which was identified in the mother liquor. The heteroleptic 1:1 LP complexes 2-4 were also obtained by the one-pot reaction of Mes2Te, Ph3E (E = P, As, Sb) and HO3SCF3. Compounds 1-4 and 6 were investigated by single-crystal X-ray diffraction. The molecular structures of 1a-4a were used for density functional theory calculations at the B3PW91/TZ level of theory and studied using natural bond order (NBO) analyses as well as real-space bonding descriptors derived from an atoms-in-molecules (AIM) analysis of the theoretically obtained electron density. Additionally, the electron localizability indicator (ELI-D) and the delocalization index are derived from the corresponding pair density. PMID:23134409

  9. Role of chalcogen vapor annealing in inducing bulk superconductivity in Fe1 +yTe1 -xSex

    NASA Astrophysics Data System (ADS)

    Lin, Wenzhi; Ganesh, P.; Gianfrancesco, Anthony; Wang, Jun; 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.

  10. Structural insights into the thermal decomposition sequence of barium tetrahydrogenorthotellurate(VI), Ba[H4TeO6

    NASA Astrophysics Data System (ADS)

    Weil, Matthias; Stöger, Berthold; Gierl-Mayer, Christian; Libowitzky, Eugen

    2016-09-01

    The compounds Ba[H4TeO6] (I), Ba[H2TeO5] (II), Ba[Te2O6(OH)2] (III) and Ba[TeO4] (IV) were prepared by application of a diffusion method (I), under hydrothermal conditions (II and III) and from solid state reactions (IV), respectively. Structure analysis on the basis of single crystal X-ray diffraction data revealed novel structure types for (I), (II) and (III) and isotypism of (IV) with PrSbO4 and LaSbO4. Common feature of the four oxotellurate(VI) structures are [TeO6] octahedra. Whereas in the crystal structure of (I) the octahedral units are isolated, they are condensed into chains via corner-sharing in (II) and via edge-sharing in (III) and (IV). The coordination numbers of the barium cations in the four structures range from seven to ten. Although hydrogen atom positions could not be located for the structures of (I) and (II), short interpolyhedral O···O contacts are evident for strong hydrogen bonding. The temperature behaviour of (I), (II) and (IV) was monitored by simultaneous thermal analysis (STA) measurements and in situ powder X-ray diffraction, revealing the decomposition sequence Ba[H4TeO6] → Ba[H2TeO5] → Ba[TeO4]→ Ba[TeO3] upon heating to temperatures up to 900 °C.