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Sample records for ge hf sn

  1. Electronic structure and magnetism of new ilmenite compounds for spintronic devices: FeBO3 (B = Ti, Hf, Zr, Si, Ge, Sn)

    NASA Astrophysics Data System (ADS)

    Ribeiro, R. A. P.; Camilo, A.; de Lazaro, S. R.

    2015-11-01

    First-principles calculations were performed in the framework of Density Functional Theory (DFT) within hybrid functional (B3LYP) to study the electronic structure and magnetic properties of new ilmenite FeBO3 (B=Ti, Hf, Zr, Si, Ge, Sn) materials. In particular, the magnetic exchange interaction between Fe2+ layers is dependent on the interlayer distance and it can be controlled by ionic radius of B-site cation. Thus, Fe(Ti, Si, Ge)O3 are antiferromagnetic materials, while Fe(Zr, Hf, Sn)O3 are ferromagnetic. We also argue that antiferromagnetic materials and FeZrO3 are convectional semiconductors, whereas FeHfO3 and FeSnO3 exhibit intrinsic half-metallic behavior, making them promising candidates for spintronic devices.

  2. Pseudomorphic GeSn/Ge (001) heterostructures

    SciTech Connect

    Tonkikh, A. A.; Talalaev, V. G.; Werner, P.

    2013-11-15

    The synthesis of pseudomorphic GeSn heterostructures on a Ge (001) substrate by molecular-beam epitaxy is described. Investigations by transmission electron microscopy show that the GeSn layers are defect free and possess cubic diamondlike structure. Photoluminescence spectroscopy reveals interband radiative recombination in the GeSn quantum wells, which is identified as indirect transitions between the subbands of heavy electrons and heavy holes. On the basis of experimental data and modeling of the band structure of pseudomorphic GeSn compounds, the lower boundary of the bowing parameter for the indirect band gap is estimated as b{sub L} {>=} 1.47 eV.

  3. Low Temperature Deposition of High-k/Metal Gate Stacks on High-Sn Content (Si)GeSn-Alloys.

    PubMed

    Schulte-Braucks, C; von den Driesch, N; Glass, S; Tiedemann, A T; Breuer, U; Besmehn, A; Hartmann, J-M; Ikonic, Z; Zhao, Q T; Mantl, S; Buca, D

    2016-05-25

    (Si)GeSn is an emerging group IV alloy system offering new exciting properties, with great potential for low power electronics due to the fundamental direct band gap and prospects as high mobility material. In this Article, we present a systematic study of HfO2/TaN high-k/metal gate stacks on (Si)GeSn ternary alloys and low temperature processes for large scale integration of Sn based alloys. Our investigations indicate that SiGeSn ternaries show enhanced thermal stability compared to GeSn binaries, allowing the use of the existing Si technology. Despite the multielemental interface and large Sn content of up to 14 atom %, the HfO2/(Si)GeSn capacitors show small frequency dispersion and stretch-out. The formed TaN/HfO2/(Si)GeSn capacitors present a low leakage current of 2 × 10(-8) A/cm(2) at -1 V and a high breakdown field of ∼8 MV/cm. For large Sn content SiGeSn/GeSn direct band gap heterostructures, process temperatures below 350 °C are required for integration. We developed an atomic vapor deposition process for TaN metal gate on HfO2 high-k dielectric and validated it by resistivity as well as temperature and frequency dependent capacitance-voltage measurements of capacitors on SiGeSn and GeSn. The densities of interface traps are deduced to be in the low 10(12) cm(-2) eV(-1) range and do not depend on the Sn-concentration. The new processes developed here are compatible with (Si)GeSn integration in large scale applications. PMID:27149260

  4. Photoluminescence and electroluminescence from Ge/strained GeSn/Ge quantum wells

    NASA Astrophysics Data System (ADS)

    Lin, Chung-Yi; Huang, Chih-Hsiung; Huang, Shih-Hsien; Chang, Chih-Chiang; Liu, C. W.; Huang, Yi-Chiau; Chung, Hua; Chang, Chorng-Ping

    2016-08-01

    Ge/strained GeSn/Ge quantum wells are grown on a 300 mm Si substrate by chemical vapor deposition. The direct bandgap emission from strained GeSn is observed in the photoluminescence spectra and is enhanced by Al2O3/SiO2 passivation due to the field effect. The electroluminescence of the direct bandgap emission of strained GeSn is also observed from the Ni/Al2O3/GeSn metal-insulator-semiconductor tunneling diodes. Electroluminescence is a good indicator of GeSn material quality, since defects in GeSn layers degrade the electroluminescence intensity significantly. At the accumulation bias, the holes in the Ni gate electrode tunnel to the strained n-type GeSn layer through the ultrathin Al2O3 and recombine radiatively with electrons. The emission wavelength of photoluminescence and electroluminescence can be tuned by the Sn content.

  5. (Si)GeSn nanostructures for light emitters

    NASA Astrophysics Data System (ADS)

    Rainko, D.; Stange, D.; von den Driesch, N.; Schulte-Braucks, C.; Mussler, G.; Ikonic, Z.; Hartmann, J. M.; Luysberg, M.; Mantl, S.; Grützmacher, D.; Buca, D.

    2016-05-01

    Energy-efficient integrated circuits for on-chip or chip-to-chip data transfer via photons could be tackled by monolithically grown group IV photonic devices. The major goal here is the realization of fully integrated group IV room temperature electrically driven lasers. An approach beyond the already demonstrated optically-pumped lasers would be the introduction of GeSn/(Si)Ge(Sn) heterostructures and exploitation of quantum mechanical effects by reducing the dimensionality, which affects the density of states. In this contribution we present epitaxial growth, processing and characterization of GeSn/(Si)Ge(Sn) heterostructures, ranging from GeSn/Ge multi quantum wells (MQWs) to GeSn quantum dots (QDs) embedded in a Ge matrix. Light emitting diodes (LEDs) were fabricated based on the MQW structure and structurally analyzed via TEM, XRD and RBS. Moreover, EL measurements were performed to investigate quantum confinement effects in the wells. The GeSn QDs were formed via Sn diffusion /segregation upon thermal annealing of GeSn single quantum wells (SQW) embedded in Ge layers. The evaluation of the experimental results is supported by band structure calculations of GeSn/(Si)Ge(Sn) heterostructures to investigate their applicability for photonic devices.

  6. Epi-cleaning of Ge/GeSn heterostructures

    SciTech Connect

    Di Gaspare, L.; Sabbagh, D.; De Seta, M.; Sodo, A.; Wirths, S.; Buca, D.; Zaumseil, P.; Schroeder, T.; Capellini, G.

    2015-01-28

    We demonstrate a very-low temperature cleaning technique based on atomic hydrogen irradiation for highly (1%) tensile strained Ge epilayers grown on metastable, partially strain relaxed GeSn buffer layers. Atomic hydrogen is obtained by catalytic cracking of hydrogen gas on a hot tungsten filament in an ultra-high vacuum chamber. X-ray photoemission spectroscopy, reflection high energy electron spectroscopy, atomic force microscopy, secondary ion mass spectroscopy, and micro-Raman showed that an O- and C-free Ge surface was achieved, while maintaining the same roughness and strain condition of the as-deposited sample and without any Sn segregation, at a process temperature in the 100–300 °C range.

  7. Germanium-tin interdiffusion in strained Ge/GeSn multiple-quantum-well structure

    NASA Astrophysics Data System (ADS)

    Wang, Wei; Dong, Yuan; Zhou, Qian; Tok, Eng Soon; Yeo, Yee-Chia

    2016-06-01

    The thermal stability and germanium-tin (Ge-Sn) interdiffusion properties were studied in epitaxial Ge/GeSn multiple-quantum-well (MQW) structure. No obvious interdiffusion was observed for annealing temperatures of 300 °C or below, while observable interdiffusion occurred for annealing temperatures of 380 °C and above. High-resolution x-ray diffraction was used to obtain the interdiffusion coefficient by analyzing the decrease rate of Ge/GeSn periodic satellite peaks. The interdiffusion coefficient is much higher, and the activation enthalpy of 1.21 eV is substantially lower in Ge/GeSn MQW structure than that previously reported in silicon-germanium (Si-Ge) systems. When the annealing temperature is increased to above 500 °C, Ge-Sn interdiffusion becomes severe. Some small pits appear on the surface, which should be related to Sn out-diffusion to the Ge cap layer, followed by Sn desorption from the top surface. This work provides insights into the Ge-Sn interdiffusion and Sn segregation behaviors in Ge/GeSn MQW structure, and the thermal budget that may be used for fabrication of devices comprising Ge/GeSn heterostructures.

  8. Parametrized dielectric functions of amorphous GeSn alloys

    NASA Astrophysics Data System (ADS)

    D'Costa, Vijay Richard; Wang, Wei; Schmidt, Daniel; Yeo, Yee-Chia

    2015-09-01

    We obtained the complex dielectric function of amorphous Ge1-xSnx (0 ≤ x ≤ 0.07) alloys using spectroscopic ellipsometry from 0.4 to 4.5 eV. Amorphous GeSn films were formed by room-temperature implantation of phosphorus into crystalline GeSn alloys grown by molecular beam epitaxy. The optical response of amorphous GeSn alloys is similar to amorphous Ge and can be parametrized using a Kramers-Kronig consistent Cody-Lorentz dispersion model. The parametric model was extended to account for the dielectric functions of amorphous Ge0.75Sn0.25 and Ge0.50Sn0.50 alloys from literature. The compositional dependence of band gap energy Eg and parameters associated with the Lorentzian oscillator have been determined. The behavior of these parameters with varying x can be understood in terms of the alloying effect of Sn on Ge.

  9. Ge/GeSn heterostructures grown on Si (100) by molecular-beam epitaxy

    SciTech Connect

    Sadofyev, Yu. G. Martovitsky, V. P.; Bazalevsky, M. A.; Klekovkin, A. V.; Averyanov, D. V.; Vasil’evskii, I. S.

    2015-01-15

    The growth of GeSn layers by molecular-beam epitaxy on Si (100) wafers coated with a germanium buffer layer is investigated. The properties of the fabricated structures are controlled by reflection high-energy electron diffraction, atomic-force microscopy, X-ray diffractometry, Rutherford backscattering, and Raman scattering. It is shown that GeSn layers with thicknesses up to 0.5 μm and Sn molar fractions up to 0.073 manifest no sign of plastic relaxation upon epitaxy. The lattice constant of the GeSn layers within the growth plane is precisely the same as that of Ge. The effect of rapid thermal annealing on the conversion of metastable elastically strained GeSn layers into a plastically relaxed state is examined. Ge/GeSn quantum wells with Sn molar fraction up to 0.11 are obtained.

  10. Simulation of GeSn/Ge tunneling field-effect transistors for complementary logic applications

    NASA Astrophysics Data System (ADS)

    Liu, Lei; Liang, Renrong; Wang, Jing; Xiao, Lei; Xu, Jun

    2016-09-01

    GeSn/Ge tunneling field-effect transistors (TFETs) with different device configurations are comprehensively investigated by numerical simulation. The lateral PIN- and PNPN-type point-tunneling and vertical line-tunneling device structures are analyzed and compared. Both n- and p-type TFETs are optimized to construct GeSn complementary logic applications. Simulation results indicate that GeSn/Ge heterochannel and heterosource structures significantly improve the device characteristics of point- and line-TFETs, respectively. Device performance and subthreshold swing can be further improved by increasing the Sn composition. GeSn/Ge heterosource line-TFETs exhibit excellent device performance and superior inverter voltage-transfer characteristic, which make them promising candidates for GeSn complementary TFET applications.

  11. Demonstration of a Ge/GeSn/Ge quantum-well microdisk resonator on silicon: enabling high-quality Ge(Sn) materials for micro- and nanophotonics.

    PubMed

    Chen, Robert; Gupta, Suyog; Huang, Yi-Chiau; Huo, Yijie; Rudy, Charles W; Sanchez, Errol; Kim, Yihwan; Kamins, Theodore I; Saraswat, Krishna C; Harris, James S

    2014-01-01

    We theoretically study and experimentally demonstrate a pseudomorphic Ge/Ge0.92Sn0.08/Ge quantum-well microdisk resonator on Ge/Si (001) as a route toward a compact GeSn-based laser on silicon. The structure theoretically exhibits many electronic and optical advantages in laser design, and microdisk resonators using these structures can be precisely fabricated away from highly defective regions in the Ge buffer using a novel etch-stop process. Photoluminescence measurements on 2.7 μm diameter microdisks reveal sharp whispering-gallery-mode resonances (Q > 340) with strong luminescence.

  12. Pseudomorphic GeSn/Ge(001) quantum wells: Examining indirect band gap bowing

    SciTech Connect

    Tonkikh, Alexander A.; Eisenschmidt, Christian; Schmidt, Georg; Talalaev, Vadim G.; Zakharov, Nikolay D.; Werner, Peter; Schilling, Joerg

    2013-07-15

    A study of the bandgap character of compressively strained GeSn{sub 0.060-0.091}/Ge(001) quantum wells grown by molecular beam epitaxy is reported. The built-in strain in GeSn wells leads to an increased separation between L and {Gamma} conduction band minima. The prevalent indirect interband transitions in GeSn were probed by photoluminescence spectroscopy. As a result we could simulate the L-valley bowing parameter in GeSn alloys, b{sub L} = 0.80 {+-} 0.06 eV at 10 K. From this we conclude that even compressively strained GeSn/Ge(001) alloys could become direct band gap semiconductors at the Sn-fraction higher than 17.0 at. %.

  13. Charge storage characteristics and tunneling mechanism of amorphous Ge-doped HfOx films

    NASA Astrophysics Data System (ADS)

    Qiu, X. Y.; Zhang, S. Y.; Zhang, T.; Wang, R. X.; Li, L. T.; Zhang, Y.; Dai, J. Y.

    2016-09-01

    Amorphous Ge-doped HfOx films have been deposited on p-Si(100) substrates by means of RF magnetron sputtering. Microstructural investigations reveal the partial oxidation of doped Ge atoms in the amorphous HfOx matrix and the existence of HfSiOx interfacial layer. Capacitance-voltage hysteresis of the Ag-/Ge-doped HfOx/Si/Ag memory capacitor exhibits a memory window of 3.15 V which can maintain for >5 × 104 cycles. Current-voltage characteristics reveal that Poole-Frenkel tunneling is responsible for electron transport in the Ge-doped HfOx film.

  14. Growth of ultrahigh-Sn-content Ge1- x Sn x epitaxial layer and its impact on controlling Schottky barrier height of metal/Ge contact

    NASA Astrophysics Data System (ADS)

    Suzuki, Akihiro; Nakatsuka, Osamu; Shibayama, Shigehisa; Sakashita, Mitsuo; Takeuchi, Wakana; Kurosawa, Masashi; Zaima, Shigeaki

    2016-04-01

    We examined the epitaxial growth of an ultrahigh-Sn-content Ge1- x Sn x layer on a Ge substrate and investigated the impact of a Ge1- x Sn x interlayer on the Schottky barrier height (SBH) of the metal/Ge contact. In this study, we considered guidelines of the strain energy and growth temperature to realize a high-Sn-content Ge1- x Sn x layer while keeping the epitaxial growth and suppressing the Sn precipitation. By reducing the film thickness and keeping a low growth temperature, we formed an atomically flat and uniform Ge1- x Sn x epitaxial layer with a Sn content up to 46% on a Ge(001) substrate. We also performed the current density-voltage measurement for Al/Ge1- x Sn x /n-Ge Schottky diodes to estimate the SBH. We found that the SBH of Al/Ge1- x Sn x /n-Ge contact decreases with increasing Sn content in the Ge1- x Sn x interlayer. The shift of the pinning position towards the conduction band edge of Ge is one of the reasons for the SBH reduction of Al/Ge1- x Sn x /n-Ge contact because the valence band edge of Ge1- x Sn x would rise as the Sn content increases.

  15. 70 °C synthesis of high-Sn content (25%) GeSn on insulator by Sn-induced crystallization of amorphous Ge

    NASA Astrophysics Data System (ADS)

    Toko, K.; Oya, N.; Saitoh, N.; Yoshizawa, N.; Suemasu, T.

    2015-02-01

    Polycrystalline GeSn thin films are fabricated on insulating substrates at low temperatures by using Sn-induced crystallization of amorphous Ge (a-Ge). The Sn layer stacked on the a-Ge layer (100-nm thickness each) had two roles: lowering the crystallization temperature of a-Ge and composing GeSn. Slow annealing at an extremely low temperature of 70 °C allowed for a large-grained (350 nm) GeSn layer with a lattice constant of 0.590 nm, corresponding to a Sn composition exceeding 25%. The present investigation paves the way for advanced electronic optical devices integrated on a flexible plastic substrate as well as on a Si platform.

  16. 70 °C synthesis of high-Sn content (25%) GeSn on insulator by Sn-induced crystallization of amorphous Ge

    SciTech Connect

    Toko, K. Oya, N.; Suemasu, T.; Saitoh, N.; Yoshizawa, N.

    2015-02-23

    Polycrystalline GeSn thin films are fabricated on insulating substrates at low temperatures by using Sn-induced crystallization of amorphous Ge (a-Ge). The Sn layer stacked on the a-Ge layer (100-nm thickness each) had two roles: lowering the crystallization temperature of a-Ge and composing GeSn. Slow annealing at an extremely low temperature of 70 °C allowed for a large-grained (350 nm) GeSn layer with a lattice constant of 0.590 nm, corresponding to a Sn composition exceeding 25%. The present investigation paves the way for advanced electronic optical devices integrated on a flexible plastic substrate as well as on a Si platform.

  17. Parametrized dielectric functions of amorphous GeSn alloys

    SciTech Connect

    D'Costa, Vijay Richard Wang, Wei; Yeo, Yee-Chia; Schmidt, Daniel

    2015-09-28

    We obtained the complex dielectric function of amorphous Ge{sub 1−x}Sn{sub x} (0 ≤ x ≤ 0.07) alloys using spectroscopic ellipsometry from 0.4 to 4.5 eV. Amorphous GeSn films were formed by room-temperature implantation of phosphorus into crystalline GeSn alloys grown by molecular beam epitaxy. The optical response of amorphous GeSn alloys is similar to amorphous Ge and can be parametrized using a Kramers-Kronig consistent Cody-Lorentz dispersion model. The parametric model was extended to account for the dielectric functions of amorphous Ge{sub 0.75}Sn{sub 0.25} and Ge{sub 0.50}Sn{sub 0.50} alloys from literature. The compositional dependence of band gap energy E{sub g} and parameters associated with the Lorentzian oscillator have been determined. The behavior of these parameters with varying x can be understood in terms of the alloying effect of Sn on Ge.

  18. Fabrication of GeSn-multiple quantum wells by overgrowth of Sn on Ge by using molecular beam epitaxy

    SciTech Connect

    Oliveira, F.; Fischer, I. A.; Schulze, J.; Benedetti, A.; Zaumseil, P.; Cerqueira, M. F.; Vasilevskiy, M. I.; Stefanov, S.; Chiussi, S.

    2015-12-28

    We report on the fabrication and structural characterization of epitaxially grown ultra-thin layers of Sn on Ge virtual substrates (Si buffer layer overgrown by a 50 nm thick Ge epilayer followed by an annealing step). Samples with 1 to 5 monolayers of Sn on Ge virtual substrates were grown using solid source molecular beam epitaxy and characterized by atomic force microscopy. We determined the critical thickness at which the transition from two-dimensional to three-dimensional growth occurs. This transition is due to the large lattice mismatch between Ge and Sn (≈14.7%). By depositing Ge on top of Sn layers, which have thicknesses at or just below the critical thickness, we were able to fabricate ultra-narrow GeSn multi-quantum-well structures that are fully embedded in Ge. We report results on samples with one and ten GeSn wells separated by 5 and 10 nm thick Ge spacer layers that were characterized by high resolution transmission electron microscopy and X-ray diffraction. We discuss the structure and material intermixing observed in the samples.

  19. Infrared optical properties and band structure of α-Sn/Ge superlattices on Ge substrates

    NASA Astrophysics Data System (ADS)

    Olajos, J.; Vogl, P.; Wegscheider, W.; Abstreiter, G.

    1991-11-01

    Short-period α-Sn/Ge strained-layer superlattices have been prepared on [001] Ge substrates by low-temperature molecular-beam epitaxy. We have achieved almost-defect-free and thermally stable single-crystalline structures. Photocurrent measurements in a series of Sn1Gem (m>10) superlattices reveal a shift of the fundamental energy gap to smaller energies with decreasing Ge layer thickness m, in good agreement with band-structure calculations. A direct fundamental energy gap is predicted for a slightly increased lateral lattice constant in α-Sn/Ge superlattices.

  20. Ge0.83Sn0.17 p-channel metal-oxide-semiconductor field-effect transistors: Impact of sulfur passivation on gate stack quality

    NASA Astrophysics Data System (ADS)

    Lei, Dian; Wang, Wei; Zhang, Zheng; Pan, Jisheng; Gong, Xiao; Liang, Gengchiau; Tok, Eng-Soon; Yeo, Yee-Chia

    2016-01-01

    The effect of room temperature sulfur passivation of the surface of Ge0.83Sn0.17 prior to high-k dielectric (HfO2) deposition is investigated. X-ray photoelectron spectroscopy (XPS) was used to examine the chemical bonding at the interface of HfO2 and Ge0.83Sn0.17. Sulfur passivation is found to be effective in suppressing the formation of both Ge oxides and Sn oxides. A comparison of XPS results for sulfur-passivated and non-passivated Ge0.83Sn0.17 samples shows that sulfur passivation of the GeSn surface could also suppress the surface segregation of Sn atoms. In addition, sulfur passivation reduces the interface trap density Dit at the high-k dielectric/Ge0.83Sn0.17 interface from the valence band edge to the midgap of Ge0.83Sn0.17, as compared with a non-passivated control. The impact of the improved Dit is demonstrated in Ge0.83Sn0.17 p-channel metal-oxide-semiconductor field-effect transistors (p-MOSFETs). Ge0.83Sn0.17 p-MOSFETs with sulfur passivation show improved subthreshold swing S, intrinsic transconductance Gm,int, and effective hole mobility μeff as compared with the non-passivated control. At a high inversion carrier density Ninv of 1 × 1013 cm-2, sulfur passivation increases μeff by 25% in Ge0.83Sn0.17 p-MOSFETs.

  1. Ternary and quaternary Ni(Si)Ge(Sn) contact formation for highly strained Ge p- and n-MOSFETs

    NASA Astrophysics Data System (ADS)

    Wirths, S.; Troitsch, R.; Mussler, G.; Hartmann, J.-M.; Zaumseil, P.; Schroeder, T.; Mantl, S.; Buca, D.

    2015-05-01

    The formation of new ternary NiGeSn and quaternary NiSiGeSn alloys has been investigated to fabricate metallic contacts on high Sn content, potentially direct bandgap group IV semiconductors. (Si)GeSn layers were pseudomorphically grown on Ge buffered Si(001) by reduced pressure chemical vapor deposition. Ni, i.e. the metal of choice for source/drain metallization in Si nanoelectronics, is employed for the stano-(silicon)-germanidation of highly strained (Si)GeSn alloys. We show that NiGeSn on GeSn layers change phase from well-oriented Ni5(GeSn)3 to poly-crystalline Ni1(GeSn)1 at very low annealing temperatures. A large range of GeSn compositions with Sn concentrations up to 12 at.%, and SiGeSn ternaries with large Si and Sn compositions from 18%/3% to 4%/11% are investigated. In addition, the sheet resistance, of importance for electronic or optoelectronic device contacts, is quantified. The incorporation of Si extends the thermal stability of the resulting low resistive quaternary phase compared to their NiGeSn counterparts.

  2. Lattice Thermal Conductivity of the Binary and Ternary Group-IV Alloys Si-Sn, Ge-Sn, and Si-Ge-Sn

    NASA Astrophysics Data System (ADS)

    Khatami, S. N.; Aksamija, Z.

    2016-07-01

    Efficient thermoelectric (TE) energy conversion requires materials with low thermal conductivity and good electronic properties. Si-Ge alloys, and their nanostructures such as thin films and nanowires, have been extensively studied for TE applications; other group-IV alloys, including those containing Sn, have not been given as much attention as TEs, despite their increasing applications in other areas including optoelectronics. We study the lattice thermal conductivity of binary (Si-Sn and Ge-Sn) and ternary (Si-Ge-Sn) alloys and their thin films in the Boltzmann transport formalisms, including a full phonon dispersion and momentum-dependent boundary-roughness scattering. We show that Si-Sn alloys have the lowest conductivity (3 W /mK ) of all the bulk alloys, more than 2 times lower than Si-Ge, attributed to the larger difference in mass between the two constituents. In addition, we demonstrate that thin films offer an additional reduction in thermal conductivity, reaching around 1 W /mK in 20-nm-thick Si-Sn, Ge-Sn, and ternary Si-Ge-Sn films, which is near the conductivity of amorphous SiO2 . We conclude that group-IV alloys containing Sn have the potential for high-efficiency TE energy conversion.

  3. GeSn pin diodes: from pure Ge to direct-gap materials

    NASA Astrophysics Data System (ADS)

    Gallagher, James; Senaratne, Charutha; Xu, Chi; Aoki, Toshihiro; Kouvetakis, John; Menendez, Jose

    2015-03-01

    Complete n - i - p Ge1-ySny diode structures (y =0-0.09) were fabricated on Si substrates with Sn concentrations covering the entire range between pure Ge and direct-gap materials. The structures typically consist of a thick (>1 μm) n + + Ge buffer layer grown by Gas Source Molecular Epitaxy using Ge4H10 and either P(SiH3)3 or P(GeH3)3 , followed by a GeSn intrinsic layer (~ 500 nm), grown by Chemical Vapor Deposition (CVD) using Ge3H8 and SnD4, and a GeSn p-type top layer (~ 200 nm) grown by CVD using Ge3H8,SnD4andB2H6. Temperature-dependence of the I - V characteristics of these diodes as well as the forward-bias dependence of their electroluminescence (EL) signal were investigated, making it possible for the first time to extract the compositional dependence of parameters such as band gaps, activation energies, and dark currents. The EL spectra are dominated by direct-gap emission, which shifts from 1590 nm to 2300 nm, in agreement with photoluminescence results. DOD AFOSR FA9550-12-1-0208 and DOD AFOSR FA9550-13-1-0022.

  4. Interface properties of Ge on cubic SrHfO3 (001)

    NASA Astrophysics Data System (ADS)

    Wang, Jianli; Wang, Chenxiang; Tang, Gang; Zhang, Junting; Guo, Sandong; Han, Yujia

    2016-06-01

    High quality Ge-on-high-k oxide interface is essential to facilitate the high performance metal-oxide semiconductor field-effect transistors and monolithically integrated optoelectronics device performance. The atomic structure and electronic properties of Ge on perfect and defective (001) SrHfO3 are investigated by first-principle calculations. The amplitude of the surface rumpling for the SrO-terminated surface is much larger than that for HfO2-terminated surface, although both SrO- and HfO2-terminated surfaces are stable for a comparable range of the HfO2 chemical potential. The distance between the first and second planes compresses while that of the second and third planes expands due to the relaxation of the slab. We investigated systematically the specific adsorption sites and the atomic structure at the initial growth stage of Ge on the SrHfO3 (001) substrate. The top sites of the oxygen atoms are favorable for 1/2 (1/3) monolayer Ge adsorbate at SrO (HfO2)-terminated surface. We calculated the surface grand potential and presented the complete surface phase diagram. We also pointed out the energetically favorable interfaces among the atomic arrangements of the Ge/SrHfO3 (001) interfaces. The atomic structure and electronic properties of the intrinsic point defects were calculated and analyzed for the Ge/SrHfO3 (001) interfaces.

  5. Ge doped HfO{sub 2} thin films investigated by x-ray absorption spectroscopy

    SciTech Connect

    Miotti, Leonardo; Bastos, Karen P.; Lucovsky, Gerald; Radtke, Claudio; Nordlund, Dennis

    2010-07-15

    The stability of the tetragonal phase of Ge doped HfO{sub 2} thin films on Si(100) was investigated. Hf(Ge)O{sub 2} films with Ge atomic concentrations varying from 0% to 15% were deposited by remote plasma chemical vapor deposition. The atomic structure on the oxide after rapid thermal annealing was investigated by x-ray absorption spectroscopy of the O and Ge K edges and by Rutherford backscattering spectrometry. The authors found that Ge concentrations as low as 5 at. % effectively stabilize the tetragonal phase of 5 nm thick Hf(Ge)O{sub 2} on Si and that higher concentrations are not stable to rapid thermal annealing at temperatures above 750 deg. C.

  6. Energy band alignment of atomic layer deposited HfO{sub 2} oxide film on epitaxial (100)Ge, (110)Ge, and (111)Ge layers

    SciTech Connect

    Hudait, Mantu K.; Zhu Yan

    2013-03-21

    Crystallographically oriented epitaxial Ge layers were grown on (100), (110), and (111)A GaAs substrates by in situ growth process using two separate molecular beam epitaxy chambers. The band alignment properties of atomic layer hafnium oxide (HfO{sub 2}) film deposited on crystallographically oriented epitaxial Ge were investigated using x-ray photoelectron spectroscopy (XPS). Valence band offset, {Delta}E{sub v} values of HfO{sub 2} relative to (100)Ge, (110)Ge, and (111)Ge orientations were 2.8 eV, 2.28 eV, and 2.5 eV, respectively. Using XPS data, variation in valence band offset, {Delta}E{sub V}(100)Ge>{Delta}E{sub V}(111)Ge>{Delta}E{sub V}(110)Ge, was obtained related to Ge orientation. Also, the conduction band offset, {Delta}E{sub c} relation, {Delta}E{sub c}(110)Ge>{Delta}E{sub c}(111)Ge>{Delta}E{sub c}(100)Ge related to Ge orientations was obtained using the measured bandgap of HfO{sub 2} on each orientation and with the Ge bandgap of 0.67 eV. These band offset parameters for carrier confinement would offer an important guidance to design Ge-based p- and n-channel metal-oxide field-effect transistor for low-power application.

  7. Linear magnetoresistance and zero-field anomalies in HfNiSn single crystals

    NASA Astrophysics Data System (ADS)

    Steinke, Lucia; Kistner-Morris, Jedediah J.; Deng, Haiming; Geschwind, Gayle; Aronson, Meigan C.

    The Half-Heusler compound HfNiSn is probably best known as a candidate material for thermoelectric applications, and studies of its properties have mainly focused on polycrystalline samples and thin films. However, magnetotransport studies of HfNiSn show unusual transport properties like linear magnetoresistance (LMR), where single-crystalline samples of HfNiSn exhibit unexpected LMR at very low fields. In this work, we optimized the solution growth of HfNiSn to obtain high-quality single crystals, where electrical transport measurements show that it is a compensated semimetal below ~ 200 K, where the Hall voltage is zero. At higher temperatures, we see a finite Hall contribution from activated excess carriers. In the semimetallic regime, we observe transport anomalies like resistive signals that strongly depend on contact configuration, and LMR below 5 K. Both low-field DC and low frequency AC magntization measurements show pronounced diamagnetic behavior and the onset of paramagnetism below 4 K. High-frequency diamagnetic screening may be attributed to a decreased skin depth with decreased resistance, but this scenario seems unlikely in HfNiSn since the measured resistance increases steeply at the lowest temperatures This research was supported by the Army Research Office.

  8. Interplay between relaxation and Sn segregation during thermal annealing of GeSn strained layers

    NASA Astrophysics Data System (ADS)

    Comrie, C. M.; Mtshali, C. B.; Sechogela, P. T.; Santos, N. M.; van Stiphout, K.; Loo, R.; Vandervorst, W.; Vantomme, A.

    2016-10-01

    The effect of thermal annealing on epitaxial GeSn (6.5% Sn) strained layers grown on Ge-buffered Si(100) wafers has been investigated using Rutherford backscattering spectrometry and X-ray diffraction to unambiguously determine the Sn substitutional content as well as the elastic strain in the layers. Vacuum annealing at temperatures below 400 °C for 20 min has no noticeable effect on the strain in the epitaxial layers. Once the temperature was raised above 400 °C, however, relaxation of the layer sets in and the GeSn layer has essentially completely relaxed following a 20 min anneal at 650 °C. Using Rutherford backscattering and channelling spectrometry to provide compositional information as a function of depth enables one to monitor the effect of the thermal anneal on the Sn distribution throughout the layer, and also to directly extract their substitutional fraction (i.e., their solubility in the lattice). The results obtained show that when the relaxation initially sets in both the Ge and the Sn remain firmly bound in substitutional lattice sites and it is only around 600 °C, and after substantial relaxation has taken place, that Sn is finally expelled from lattice sites and diffuses to the surface of the sample.

  9. Material gain engineering in GeSn/Ge quantum wells integrated with an Si platform

    NASA Astrophysics Data System (ADS)

    Mączko, H. S.; Kudrawiec, R.; Gladysiewicz, M.

    2016-09-01

    It is shown that compressively strained Ge1‑xSnx/Ge quantum wells (QWs) grown on a Ge substrate with 0.1 ≤ x ≤ 0.2 and width of 8 nm ≤ d ≤ 14 nm are a very promising gain medium for lasers integrated with an Si platform. Such QWs are type-I QWs with a direct bandgap and positive transverse electric mode of material gain, i.e. the modal gain. The electronic band structure near the center of Brillouin zone has been calculated for various Ge1‑xSnx/Ge QWs with use of the 8-band kp Hamiltonian. To calculate the material gain for these QWs, occupation of the L valley in Ge barriers has been taken into account. It is clearly shown that this occupation has a lot of influence on the material gain in the QWs with low Sn concentrations (Sn < 15%) and is less important for QWs with larger Sn concentration (Sn > 15%). However, for QWs with Sn > 20% the critical thickness of a GeSn layer deposited on a Ge substrate starts to play an important role. Reduction in the QW width shifts up the ground electron subband in the QW and increases occupation of the L valley in the barriers instead of the Γ valley in the QW region.

  10. Material gain engineering in GeSn/Ge quantum wells integrated with an Si platform

    PubMed Central

    Mączko, H. S.; Kudrawiec, R.; Gladysiewicz, M.

    2016-01-01

    It is shown that compressively strained Ge1−xSnx/Ge quantum wells (QWs) grown on a Ge substrate with 0.1 ≤ x ≤ 0.2 and width of 8 nm ≤ d ≤ 14 nm are a very promising gain medium for lasers integrated with an Si platform. Such QWs are type-I QWs with a direct bandgap and positive transverse electric mode of material gain, i.e. the modal gain. The electronic band structure near the center of Brillouin zone has been calculated for various Ge1−xSnx/Ge QWs with use of the 8-band kp Hamiltonian. To calculate the material gain for these QWs, occupation of the L valley in Ge barriers has been taken into account. It is clearly shown that this occupation has a lot of influence on the material gain in the QWs with low Sn concentrations (Sn < 15%) and is less important for QWs with larger Sn concentration (Sn > 15%). However, for QWs with Sn > 20% the critical thickness of a GeSn layer deposited on a Ge substrate starts to play an important role. Reduction in the QW width shifts up the ground electron subband in the QW and increases occupation of the L valley in the barriers instead of the Γ valley in the QW region. PMID:27686056

  11. Sn-enriched Ge/GeSn nanostructures grown by MBE on (001) GaAs and Si wafers

    SciTech Connect

    Sadofyev, Yu. G. Martovitsky, V. P.; Klekovkin, A. V.; Saraykin, V. V.; Vasil’evskii, I. S.

    2015-12-15

    Elastically stressed metastable GeSn layers with a tin molar fraction as large as 0.185 are grown on (001) Si and GaAs wafers covered with a germanium buffer layer. A set of wafers with a deviation angle in the range 0°–10° is used. It is established that the GeSn crystal undergoes monoclinic deformation with the angle β to 88° in addition to tetragonal deformation. Misorientation of the wafers surface results in increasing efficiency of the incorporation of tin adatoms into the GeSn crystal lattice. Phase separation in the solid solution upon postgrowth annealing of the structures begins long before the termination of plastic relaxation of elastic heteroepitaxial stresses. Tin released as a result of GeSn decomposition predominantly tends to be found on the surface of the sample. Manifestations of the brittle–plastic mechanism of the relaxation of stresses resulting in the occurrence of microcracks in the subsurface region of the structures under investigation are found.

  12. Temperature dependent band gaps of GeSiSn alloys grown on Ge buffered Si substrates

    NASA Astrophysics Data System (ADS)

    Fernando, Nalin; Nunley, T. N.; Zollner, S.; Xu, C.; Menendez, J.; Kouvetakis, J.

    2015-03-01

    Band gap engineering of Ge by controlling tensile strain and alloying with Si and Sn has attracted great interest. Ge1 - x - ySixSny ternary alloy with two compositional degrees of freedom allows decoupling lattice constant and electronic structures. Hence it is important to determine the temperature and compositional dependence of optical properties of these materials. The complex pseudodielectric functions of Ge films grown on Si(100) and GeSiSn grown on buffered Ge were measured using spectroscopic ellipsometry in the 0.76-6.6 eV energy range between 77-800 K to investigate the E1 and E1 +Δ1 critical point (CP) energies. CP energies and related parameters were obtained by analyzing the second-derivative d2 ɛ /d2 ω of the dielectric function. Our experimental results are in good agreement with the theoretically predicted E1CP energy shift of Ge on Si due to strain generated by thermal expansivity mismatch. We will discuss the compositional dependence of the E1 and E1 +Δ1 CP energies of GeSiSn alloys and effects of temperature on shifting CP energies.

  13. Band engineering and growth of tensile strained Ge/(Si)GeSn heterostructures for tunnel field effect transistors

    NASA Astrophysics Data System (ADS)

    Wirths, S.; Tiedemann, A. T.; Ikonic, Z.; Harrison, P.; Holländer, B.; Stoica, T.; Mussler, G.; Myronov, M.; Hartmann, J. M.; Grützmacher, D.; Buca, D.; Mantl, S.

    2013-05-01

    In this letter, we propose a heterostructure design for tunnel field effect transistors with two low direct bandgap group IV compounds, GeSn and highly tensely strained Ge in combination with ternary SiGeSn alloy. Electronic band calculations show that strained Ge, used as channel, grown on Ge1-xSnx (x > 9%) buffer, as source, becomes a direct bandgap which significantly increases the tunneling probability. The SiGeSn ternaries are well suitable as drain since they offer a large indirect bandgap. The growth of such heterostructures with the desired band alignment is presented. The crystalline quality of the (Si)Ge(Sn) layers is similar to state-of-the-art SiGe layers.

  14. Microstructure and thermal stability of HfO2 gate dielectric deposited on Ge (100)

    NASA Astrophysics Data System (ADS)

    Gusev, E. P.; Shang, H.; Copel, M.; Gribelyuk, M.; D'Emic, C.; Kozlowski, P.; Zabel, T.

    2004-09-01

    We report on physical and electrical characterization of ultrathin (3-10nm) high-κHfO2 gate stacks deposited on Ge (100) by atomic-layer deposition. It is observed that uniform films of HfO2 can be deposited on Ge without significant interfacial growth. The lack of an interlayer enables quasiepitaxial growth of HfO2 on the Ge surface after wet chemical treatment whereas a nitrided interface (grown by thermal oxynitridation in ammonia) results in an amorphous HfO2. The stacks exhibit surprisingly good thermal stability, up to temperatures only 150°C below the melting point of Ge. In terms of electrical properties, HfO2 on Ge shows significantly reduced (up to 4 decades) gate leakage currents in the ultrathin regime of equivalent electrical thickness down to ˜1.4nm due to the high-dielectric constant of ˜23. Nitrided interface is observed to be important for good insulating properties of the stack.

  15. Thermoelectric properties of SnO2-based ceramics doped with Nd, Hf or Bi

    NASA Astrophysics Data System (ADS)

    Yanagiya, S.; Nong, N. V.; Sonne, M.; Pryds, N.

    2012-06-01

    We report the thermoelectric properties of Nd-, Hf-or Bi-doped SnO2-based ceramics prepared by solid-state sintering. Polycrystalline SnO2-based samples (Sn0.97Sb0.01Zn0.01M0.01O2, M = Nd, Hf or Bi) were prepared by solid-state reactions. We confirmed that Bi-doping increased the power factor due to both the enhanced electrical conductivity and Seebeck coefficient compared to the matrix material. The maximum power factor of 4.8 × 10-4 Wm-1K-2 was attained for the Bi-doped sample at 1060 K.

  16. Doping and strain dependence of the electronic band structure in Ge and GeSn alloys

    NASA Astrophysics Data System (ADS)

    Xu, Chi; Gallagher, James; Senaratne, Charutha; Brown, Christopher; Fernando, Nalin; Zollner, Stefan; Kouvetakis, John; Menendez, Jose

    2015-03-01

    A systematic study of the effect of dopants and strain on the electronic structure of Ge and GeSn alloys is presented. Samples were grown by UHV-CVD on Ge-buffered Si using Ge3H8 and SnD4 as the sources of Ge and Sn, and B2H6/P(GeH3)3 as dopants. High-energy critical points in the joint-density of electronic states were studied using spectroscopic ellipsometry, which yields detailed information on the strain and doping dependence of the so-called E1, E1 +Δ1 , E0' and E2 transitions. The corresponding dependencies of the lowest direct band gap E0 and the fundamental indirect band gap Eindwere studied via room-T photoluminescence spectroscopy. Of particular interest for this work were the determination of deformation potentials, band gap renormalization effects, Burstein-Moss shifts due to the presence of carriers at band minima, and the dependence of other critical point parameters, such as amplitudes and phase angles, on the doping concentration. The selective blocking of transitions due to high doping makes it possible to investigate the precise k-space location of critical points. These studies are complemented with detailed band-structure calculations within a full-zone k-dot- p approach. Supported by AFOSR under DOD AFOSR FA9550-12-1-0208 and DOD AFOSR FA9550-13-1-0022.

  17. Buffer-Free GeSn and SiGeSn Growth on Si Substrate Using In Situ SnD4 Gas Mixing

    NASA Astrophysics Data System (ADS)

    Mosleh, Aboozar; Alher, Murtadha; Cousar, Larry C.; Du, Wei; Ghetmiri, Seyed Amir; Al-Kabi, Sattar; Dou, Wei; Grant, Perry C.; Sun, Greg; Soref, Richard A.; Li, Baohua; Naseem, Hameed A.; Yu, Shui-Qing

    2016-04-01

    Buffer-free GeSn and SiGeSn films have been deposited on Si via a cold-wall, ultra-high vacuum chemical vapor deposition reactor using in situ gas mixing of deuterated stannane, silane and germane. Material characterization of the films using x-ray diffraction and transmission electron microscopy shows crystalline growth with an array of misfit dislocation formed at the Si substrate interface. Energy dispersive x-ray maps attained from the samples show uniform incorporation of the elements. The Z-contrast map of the high-angle annular dark-field of the film cross section shows uniform incorporation along the growth as well. Optical characterization of the GeSn films through photoluminescence technique shows reduction in the bandgap edge of the materials.

  18. Giant Seebeck effect in Ge-doped SnSe.

    PubMed

    Gharsallah, M; Serrano-Sánchez, F; Nemes, N M; Mompeán, F J; Martínez, J L; Fernández-Díaz, M T; Elhalouani, F; Alonso, J A

    2016-01-01

    Thermoelectric materials may contribute in the near future as new alternative sources of sustainable energy. Unprecedented thermoelectric properties in p-type SnSe single crystals have been recently reported, accompanied by extremely low thermal conductivity in polycrystalline samples. In order to enhance thermoelectric efficiency through proper tuning of this material we report a full structural characterization and evaluation of the thermoelectric properties of novel Ge-doped SnSe prepared by a straightforward arc-melting method, which yields nanostructured polycrystalline samples. Ge does not dope the system in the sense of donating carriers, yet the electrical properties show a semiconductor behavior with resistivity values higher than that of the parent compound, as a consequence of nanostructuration, whereas the Seebeck coefficient is higher and thermal conductivity lower, favorable to a better ZT figure of merit. PMID:27251233

  19. Giant Seebeck effect in Ge-doped SnSe

    NASA Astrophysics Data System (ADS)

    Gharsallah, M.; Serrano-Sánchez, F.; Nemes, N. M.; Mompeán, F. J.; Martínez, J. L.; Fernández-Díaz, M. T.; Elhalouani, F.; Alonso, J. A.

    2016-06-01

    Thermoelectric materials may contribute in the near future as new alternative sources of sustainable energy. Unprecedented thermoelectric properties in p-type SnSe single crystals have been recently reported, accompanied by extremely low thermal conductivity in polycrystalline samples. In order to enhance thermoelectric efficiency through proper tuning of this material we report a full structural characterization and evaluation of the thermoelectric properties of novel Ge-doped SnSe prepared by a straightforward arc-melting method, which yields nanostructured polycrystalline samples. Ge does not dope the system in the sense of donating carriers, yet the electrical properties show a semiconductor behavior with resistivity values higher than that of the parent compound, as a consequence of nanostructuration, whereas the Seebeck coefficient is higher and thermal conductivity lower, favorable to a better ZT figure of merit.

  20. Giant Seebeck effect in Ge-doped SnSe

    PubMed Central

    Gharsallah, M.; Serrano-Sánchez, F.; Nemes, N. M.; Mompeán, F. J.; Martínez, J. L.; Fernández-Díaz, M. T.; Elhalouani, F.; Alonso, J. A.

    2016-01-01

    Thermoelectric materials may contribute in the near future as new alternative sources of sustainable energy. Unprecedented thermoelectric properties in p-type SnSe single crystals have been recently reported, accompanied by extremely low thermal conductivity in polycrystalline samples. In order to enhance thermoelectric efficiency through proper tuning of this material we report a full structural characterization and evaluation of the thermoelectric properties of novel Ge-doped SnSe prepared by a straightforward arc-melting method, which yields nanostructured polycrystalline samples. Ge does not dope the system in the sense of donating carriers, yet the electrical properties show a semiconductor behavior with resistivity values higher than that of the parent compound, as a consequence of nanostructuration, whereas the Seebeck coefficient is higher and thermal conductivity lower, favorable to a better ZT figure of merit. PMID:27251233

  1. Tensile strained GeSn on Si by solid phase epitaxy

    NASA Astrophysics Data System (ADS)

    Lieten, R. R.; Seo, J. W.; Decoster, S.; Vantomme, A.; Peters, S.; Bustillo, K. C.; Haller, E. E.; Menghini, M.; Locquet, J.-P.

    2013-02-01

    We demonstrate single crystalline GeSn with tensile strain on silicon substrates. Amorphous GeSn layers are obtained by limiting the adatom surface mobility during deposition. Subsequent annealing transforms the amorphous layer into single crystalline GeSn by solid phase epitaxy. Excellent structural quality is demonstrated for layers with up to 6.1% of Sn. The GeSn layers show tensile strain (up to +0.34%), which lowers the difference between direct and indirect band transition and makes this method promising for obtaining direct band gap group IV layers. GeSn with 4.5% Sn shows increased optical absorption compared to Ge and an optical band gap of 0.52 eV.

  2. Formation of GeSn alloy on Si(100) by low-temperature molecular beam epitaxy

    SciTech Connect

    Talochkin, A. B.; Mashanov, V. I.

    2014-12-29

    GeSn alloys grown on Si(100) by the low-temperature (100 °C) molecular beam epitaxy are studied using scanning tunneling microscopy and Raman spectroscopy. It is found that the effect of Sn as a surfactant modifies substantially the low-temperature growth mechanism of Ge on Si. Instead of the formation of small Ge islands surrounded by amorphous Ge, in the presence of Sn, the growth of pure Ge islands appears via the Stranski-Krastanov growth mode, and a partially relaxed Ge{sub 1−x}Sn{sub x} alloy layer with the high Sn-fraction up to 40 at. % is formed in the area between them. It is shown that the observed growth mode induced by high surface mobility of Sn and the large strain of the pseudomorphic state of Ge to Si ensures the minimum elastic-strain energy of the structure.

  3. X-ray study of interfacial interactions in highly milled Sn-Ge powders

    SciTech Connect

    Jayanetti, J.K.D.S.; Heald, S.M.; Tan, Z.

    1991-12-31

    We have studied possible structural changes occurring at the Sn/Ge interface of highly milled Sn/Ge composites. EXAFS and X-ray Diffraction measurements were made on mechanically milled powders having compositions ranging from 20 to 50 vol.% Sn. X-ray diffraction measurements indicate the increasing amorphization of Sn as the Sn content is decreased. EXAFS results indicate that this amorphous phase is due to the formation of an {alpha}-Sn/Ge alloy. The EXAFS from this alloy did not change significantly at the Sn melting point. X-ray diffraction measurements made at room temperature show a systematic decrease in the intensity of Sn peaks and broadening of Ge peaks with the decreasing Sn content.

  4. X-ray study of interfacial interactions in highly milled Sn-Ge powders

    SciTech Connect

    Jayanetti, J.K.D.S.; Heald, S.M.; Tan, Z.

    1991-01-01

    We have studied possible structural changes occurring at the Sn/Ge interface of highly milled Sn/Ge composites. EXAFS and X-ray Diffraction measurements were made on mechanically milled powders having compositions ranging from 20 to 50 vol.% Sn. X-ray diffraction measurements indicate the increasing amorphization of Sn as the Sn content is decreased. EXAFS results indicate that this amorphous phase is due to the formation of an {alpha}-Sn/Ge alloy. The EXAFS from this alloy did not change significantly at the Sn melting point. X-ray diffraction measurements made at room temperature show a systematic decrease in the intensity of Sn peaks and broadening of Ge peaks with the decreasing Sn content.

  5. Giant piezoelectricity of monolayer group IV monochalcogenides: SnSe, SnS, GeSe, and GeS

    SciTech Connect

    Fei, Ruixiang; Yang, Li; Li, Wenbin; Li, Ju

    2015-10-26

    We predict enormous, anisotropic piezoelectric effects in intrinsic monolayer group IV monochalcogenides (MX, M=Sn or Ge, X=Se or S), including SnSe, SnS, GeSe, and GeS. Using first-principle simulations based on the modern theory of polarization, we find that their piezoelectric coefficients are about one to two orders of magnitude larger than those of other 2D materials, such as MoS{sub 2} and GaSe, and bulk quartz and AlN which are widely used in industry. This enhancement is a result of the unique “puckered” C{sub 2v} symmetry and electronic structure of monolayer group IV monochalcogenides. Given the achieved experimental advances in the fabrication of monolayers, their flexible character, and ability to withstand enormous strain, these 2D structures with giant piezoelectric effects may be promising for a broad range of applications such as nano-sized sensors, piezotronics, and energy harvesting in portable electronic devices.

  6. GeSn p-i-n waveguide photodetectors on silicon substrates

    SciTech Connect

    Peng, Yu-Hsiang; Chang, Guo-En; Cheng, H. H.; Mashanov, Vladimir I.

    2014-12-08

    We report an investigation on GeSn p-i-n waveguide photodetectors grown on a Ge-buffered Si wafer. In comparison with a reference Ge detector, the GeSn detector shows an enhanced responsivity in the measured energy range, mainly attributed to the smaller bandgap caused by Sn-alloying. Analysis of the quantum efficiency indicates that increasing the Sn content in the active layers can significantly shorten the required device length to achieve the maximum efficiency. The present investigation demonstrates the planar photodetectors desired for monolithic integration with electronic devices.

  7. Effect of Sn implantation on thermal stability improvement of NiSiGe

    NASA Astrophysics Data System (ADS)

    Zhang, B.; Meng, X.; Ping, Y.; Yu, W.; Xue, Z.; Wei, X.; Di, Z.; Zhang, M.; Wang, X.

    2015-12-01

    We study the formation of nickel-germanosilicide (NiSiGe) on Sn ion pre-implanted Si0.8Ge0.2 layers. The Sn influences on NiSiGe morphology and sheet resistance are investigated at different annealing temperature. The NiSiGe films were characterized by scanning electron microscopy (SEM), Rutherford backscattering spectrometry (RBS), cross-section transmission electron microscopy (XTEM), and Energy Dispersive X-ray spectrometer (EDX) techniques. It is shown that the presence of Sn atoms increases the thermal stability of NiSiGe about 150 °C. We demonstrate that the Sn atoms retard the Ni germanosilicidation rate, stabilize the NiSiGe phase, and smooth the NiSiGe/SiGe interface.

  8. GeOx interfacial layer scavenging remotely induced by metal electrode in metal/HfO2/GeOx/Ge capacitors

    NASA Astrophysics Data System (ADS)

    Lee, Taehoon; Jung, Yong Chan; Seong, Sejong; Lee, Sung Bo; Park, In-Sung; Ahn, Jinho

    2016-07-01

    The metal gate electrodes of Ni, W, and Pt have been investigated for their scavenging effect: a reduction of the GeOx interfacial layer (IL) between HfO2 dielectric and Ge substrate in metal/HfO2/GeOx/Ge capacitors. All the capacitors were fabricated using the same process except for the material used in the metal electrodes. Capacitance-voltage measurements, scanning transmission electron microscopy, and electron energy loss spectroscopy were conducted to confirm the scavenging of GeOx IL. Interestingly, these metals are observed to remotely scavenge the interfacial layer, reducing its thickness in the order of Ni, W, and then Pt. The capacitance equivalent thickness of these capacitors with Ni, W, and Pt electrodes are evaluated to be 2.7 nm, 3.0 nm, and 3.5 nm, and each final remnant physical thickness of GeOx IL layer is 1.1 nm 1.4 nm, and 1.9 nm, respectively. It is suggested that the scavenging effect induced by the metal electrodes is related to the concentration of oxygen vacancies generated by oxidation reaction at the metal/HfO2 interface.

  9. Pulse number controlled laser annealing for GeSn on insulator structure with high substitutional Sn concentration

    NASA Astrophysics Data System (ADS)

    Moto, Kenta; Matsumura, Ryo; Sadoh, Taizoh; Ikenoue, Hiroshi; Miyao, Masanobu

    2016-06-01

    Crystalline GeSn-on-insulator structures with high Sn concentration (>8%), which exceeds thermal equilibrium solid-solubility (˜2%) of Sn in Ge, are essential to achieve high-speed thin film transistors and high-efficiency optical devices. We investigate non-thermal equilibrium growth of Ge1-xSnx (0 ≤ x ≤ 0.2) on quartz substrates by using pulsed laser annealing (PLA). The window of laser fluence enabling complete crystallization without film ablation is drastically expanded (˜5 times) by Sn doping above 5% into Ge. Substitutional Sn concentration in grown layers is found to be increased with decreasing irradiation pulse number. This phenomenon can be explained on the basis of significant thermal non-equilibrium growth achieved by higher cooling rate after PLA with a lower pulse number. As a result, GeSn crystals with substitutional Sn concentration of ˜12% are realized at pulse irradiation of single shot for the samples with the initial Sn concentration of 15%. Raman spectroscopy and electron microscopy measurements reveal the high quality of the grown layer. This technique will be useful to fabricate high-speed thin film transistors and high-efficiency optical devices on insulating substrates.

  10. Intermixing between HfO{sub 2} and GeO{sub 2} films deposited on Ge(001) and Si(001): Role of the substrate

    SciTech Connect

    Soares, G. V.; Krug, C.; Miotti, L.; Bastos, K. P.; Lucovsky, G.; Baumvol, I. J. R.; Radtke, C.

    2011-03-28

    Thermally driven atomic transport in HfO{sub 2}/GeO{sub 2}/substrate structures on Ge(001) and Si(001) was investigated in N{sub 2} ambient as function of annealing temperature and time. As-deposited stacks showed no detectable intermixing and no instabilities were observed on Si. On Ge, loss of O and Ge was detected in all annealed samples, presumably due to evolution of GeO from the GeO{sub 2}/Ge interface. In addition, hafnium germanate is formed at 600 deg. C. Our data indicate that at 500 deg. C and above HfO{sub 2}/GeO{sub 2} stacks are stable only if isolated from the Ge substrate.

  11. Investigation of Sn surface segregation during GeSn epitaxial growth by Auger electron spectroscopy and energy dispersive x-ray spectroscopy

    SciTech Connect

    Tsukamoto, Takahiro; Suda, Yoshiyuki; Hirose, Nobumitsu; Kasamatsu, Akifumi; Mimura, Takashi; Matsui, Toshiaki

    2015-02-02

    The mechanism of Sn surface segregation during the epitaxial growth of GeSn on Si (001) substrates was investigated by Auger electron spectroscopy and energy dispersive X-ray spectroscopy. Sn surface segregation depends on the growth temperature and Sn content of GeSn layers. During Sn surface segregation, Sn-rich nanoparticles form and move on the surface during the deposition, which results in a rough surface owing to facet formation. The Sn-rich nanoparticles moving on the surface during the deposition absorb Sn from the periphery and yield a lower Sn content, not on the surface but within the layer, because the Sn surface segregation and the GeSn deposition occur simultaneously. Sn surface segregation can occur at a lower temperature during the deposition compared with that during postannealing. This suggests that the Sn surface segregation during the deposition is strongly promoted by the migration of deposited Ge and Sn adatoms on the surface originating from the thermal effect of substrate temperature, which also suggests that limiting the migration of deposited Ge and Sn adatoms can reduce the Sn surface segregation and improve the crystallinity of GeSn layers.

  12. Towards simultaneous achievement of carrier activation and crystallinity in Ge and GeSn with heated phosphorus ion implantation: An optical study

    NASA Astrophysics Data System (ADS)

    D'Costa, Vijay Richard; Wang, Lanxiang; Wang, Wei; Lim, Sin Leng; Chan, Taw Kuei; Chua, Lye Hing; Henry, Todd; Zou, Wei; Hatem, Christopher; Osipowicz, Thomas; Tok, Eng Soon; Yeo, Yee-Chia

    2014-09-01

    We have investigated the optical properties of Ge and GeSn alloys implanted with phosphorus ions at 400 °C by spectroscopic ellipsometry from far-infrared to ultraviolet. The dielectric response of heated GeSn implants displays structural and transport properties similar to those of heated Ge implants. The far-infrared dielectric function of as-implanted Ge and GeSn shows the typical free carrier response which can be described by a single Drude oscillator. Bulk Ge-like critical points E1, E1 + Δ1, E0', and E2 are observed in the visible-UV dielectric function of heated Ge and GeSn indicating single crystalline quality of the as-implanted layers. Although the implantation at 400 °C recovers crystallinity in both Ge and GeSn, an annealing step is necessary to enhance the carrier activation.

  13. Biaxial stress evaluation in GeSn film epitaxially grown on Ge substrate by oil-immersion Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Takeuchi, Kazuma; Suda, Kohei; Yokogawa, Ryo; Usuda, Koji; Sawamoto, Naomi; Ogura, Atsushi

    2016-09-01

    GeSn is being paid much attention as a next-generation channel material. In this work, we performed the excitation of forbidden transverse optical (TO) phonons from strained GeSn, as well as longitudinal optical (LO) phonons, under the backscattering geometry from the (001) surface by oil-immersion Raman spectroscopy. Using the obtained LO/TO phonons, we derived the phonon deformation potentials (PDPs), which play an important role in the stress evaluation, of the strained Ge1- x Sn x for the first time. The results suggest that PDPs are almost constant for the Ge1- x Sn x (x < 0.032). Biaxial stress calculated using the derived PDPs reasonably indicated the isotropic states.

  14. Biaxial stress evaluation in GeSn film epitaxially grown on Ge substrate by oil-immersion Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Takeuchi, Kazuma; Suda, Kohei; Yokogawa, Ryo; Usuda, Koji; Sawamoto, Naomi; Ogura, Atsushi

    2016-09-01

    GeSn is being paid much attention as a next-generation channel material. In this work, we performed the excitation of forbidden transverse optical (TO) phonons from strained GeSn, as well as longitudinal optical (LO) phonons, under the backscattering geometry from the (001) surface by oil-immersion Raman spectroscopy. Using the obtained LO/TO phonons, we derived the phonon deformation potentials (PDPs), which play an important role in the stress evaluation, of the strained Ge1‑ x Sn x for the first time. The results suggest that PDPs are almost constant for the Ge1‑ x Sn x (x < 0.032). Biaxial stress calculated using the derived PDPs reasonably indicated the isotropic states.

  15. Temperature varying photoconductivity of GeSn alloys grown by chemical vapor deposition with Sn concentrations from 4% to 11%

    NASA Astrophysics Data System (ADS)

    Hart, John; Adam, Thomas; Kim, Yihwan; Huang, Yi-Chiau; Reznicek, Alexander; Hazbun, Ramsey; Gupta, Jay; Kolodzey, James

    2016-03-01

    Pseudomorphic GeSn layers with Sn atomic percentages between 4.5% and 11.3% were grown by chemical vapor deposition using digermane and SnCl4 precursors on Ge virtual substrates grown on Si. The layers were characterized by x-ray diffraction rocking curves and reciprocal space maps. Photoconductive devices were fabricated, and the dark current was found to increase with Sn concentration. The responsivity of the photoconductors was measured at a wavelength of 1.55 μm using calibrated laser illumination at room temperature and a maximum value of 2.7 mA/W was measured for a 4.5% Sn device. Moreover, the responsivity for higher Sn concentration was found to increase with decreasing temperature. Spectral photoconductivity was measured using Fourier transform infrared spectroscopy. The photoconductive absorption edge continually increased in wavelength with increasing tin percentage, out to approximately 2.4 μm for an 11.3% Sn device. The direct band gap was extracted using Tauc plots and was fit to a bandgap model accounting for layer strain and Sn concentration. This direct bandgap was attributed to absorption from the heavy-hole band to the conduction band. Higher energy absorption was also observed, which was thought to be likely from absorption in the light-hole band. The band gaps for these alloys were plotted as a function of temperature. These experiments show the promise of GeSn alloys for CMOS compatible short wave infrared detectors.

  16. Kesterite Cu2Zn(Sn,Ge)(S,Se)4 thin film with controlled Ge-doping for photovoltaic application.

    PubMed

    Zhao, Wangen; Pan, Daocheng; Liu, Shengzhong Frank

    2016-05-21

    Cu2ZnSn(S,Se)4 (CZTSSe) semiconductors have been a focus of extensive research effort owing to low-toxicity, high abundance and low material cost. Yet, the CZTSSe thin film solar cell has a low open-circuit voltage value that presents challenges. Herein, using GeSe2 as a new Ge source material, we have achieved a wider band gap CZTSSe-based semiconductor absorber layer with its band-gap controlled by adjusting the ratio of SnS2 : GeSe2 used. In addition, the Cu2Zn(Sn,Ge)(S,Se)4 thin films were prepared with optimal Ge doping (30%) and solar cells were fabricated to attain a respectable power conversion efficiency of 4.8% under 1.5 AM with an active area of 0.19 cm(2) without an anti-reflection layer. PMID:27121893

  17. Electron dominated thermoelectric response in MNiSn (M: Ti, Zr, Hf) half-Heusler alloys.

    PubMed

    Gandi, Appala Naidu; Schwingenschlögl, Udo

    2016-05-18

    We solve the transport equations of the electrons and phonons to understand the thermoelectric behaviour of the technologically important half-Heusler alloys MNiSn (M: Ti, Zr, Hf). Doping is simulated within the rigid band approximation. We clarify the origin of the electron dominated thermoelectric response and determine the carrier concentrations with maximal figures of merit. The phonon mean free path is studied to calculate the grain size below which grain refinement methods can enforce ballistic heat conduction to enhance the figure of merit.

  18. Electron dominated thermoelectric response in MNiSn (M: Ti, Zr, Hf) half-Heusler alloys.

    PubMed

    Gandi, Appala Naidu; Schwingenschlögl, Udo

    2016-05-18

    We solve the transport equations of the electrons and phonons to understand the thermoelectric behaviour of the technologically important half-Heusler alloys MNiSn (M: Ti, Zr, Hf). Doping is simulated within the rigid band approximation. We clarify the origin of the electron dominated thermoelectric response and determine the carrier concentrations with maximal figures of merit. The phonon mean free path is studied to calculate the grain size below which grain refinement methods can enforce ballistic heat conduction to enhance the figure of merit. PMID:27156360

  19. Absorption coefficients of GeSn extracted from PIN photodetector response

    NASA Astrophysics Data System (ADS)

    Ye, Kaiheng; Zhang, Wogong; Oehme, Michael; Schmid, Marc; Gollhofer, Martin; Kostecki, Konrad; Widmann, Daniel; Körner, Roman; Kasper, Erich; Schulze, Jörg

    2015-08-01

    In this paper the optical absorption of the GeSn PIN photodetector was investigated. The vertical GeSn PIN photodetectors were fabricated by molecular beam epitaxy (MBE) and dry etching. By means of current density-voltage (J-V) and capacity-voltage (C-V) measurements the photodetector device was characterized. The absorption coefficients of GeSn material were finally extracted from the optical response of PIN structure. With further direct bandgap analysis the influences of device structure was proved negligible.

  20. Theoretical calculation of performance enhancement in lattice-matched SiGeSn/GeSn p-channel tunneling field-effect transistor with type-II staggered tunneling junction

    NASA Astrophysics Data System (ADS)

    Wang, Hongjuan; Han, Genquan; Wang, Yibo; Peng, Yue; Liu, Yan; Zhang, Chunfu; Zhang, Jincheng; Hu, Shengdong; Hao, Yue

    2016-04-01

    In this work, a lattice-matched SiGeSn/GeSn heterostructure p-channel tunneling field-effect transistor (hetero-PTFET) with a type-II staggered tunneling junction (TJ) is investigated theoretically. Lattice matching and type-II band alignment at the Γ-point is obtained at the SiGeSn/GeSn interface by tuning Sn and Si compositions. A steeper subthreshold swing (SS) and a higher on state current (I ON) are demonstrated in SiGeSn/GeSn hetero-PTFET than in GeSn homo-PTFET. Si0.31Ge0.49Sn0.20/Ge0.88Sn0.12 hetero-PTFET achieves a 2.3-fold higher I ON than Ge0.88Sn0.12 homo-PTFET at V DD of 0.3 V. Hetero-PTFET achieves a more abrupt hole profile and a higher carrier density near TJ than the homo-PTFET, which contributes to the significantly enhanced band-to-band tunneling (BTBT) rate and tunneling current in hetero-PTFET.

  1. Interaction of Sn atoms with defects introduced by ion implantation in Ge substrate

    SciTech Connect

    Taoka, Noriyuki Fukudome, Motoshi; Takeuchi, Wakana; Arahira, Takamitsu; Sakashita, Mitsuo; Nakatsuka, Osamu; Zaima, Shigeaki

    2014-05-07

    The interaction of Sn atoms with defects induced by Sn implantation of Ge substrates with antimony (Sb) as an n-type dopant and the impact of H{sub 2} annealing on these defects were investigated by comparison with defects induced by Ge self-implantation. In the Ge samples implanted with either Sn or Ge, and annealed at temperatures of less than 200 °C, divacancies, Sb-vacancy complexes with single or double acceptor-like states, and defects related to Sb and interstitial Ge atoms were present. On the other hand, after annealing at 500 °C in an N{sub 2} or H{sub 2} atmosphere, defects with different structures were observed in the Sn-implanted samples by deep level transition spectroscopy. The energy levels of the defects were 0.33 eV from the conduction band minimum and 0.55 eV from the valence band maximum. From the capacitance-voltage (C-V) characteristics, interaction between Sn atoms and defects after annealing at 500 °C was observed. The effect of H{sub 2} annealing at around 200 °C was observed in the C-V characteristics, which can be attributed to hydrogen passivation, and this effect was observed in both the Ge- and Sn-implanted samples. These results suggest the presence of defects that interact with Sn or hydrogen atoms. This indicates the possibility of defect control in Ge substrates by Sn or hydrogen incorporation. Such defect control could yield high-performance Ge-based devices.

  2. Synthesis of Ge1- x Sn x Alloy Thin Films Using Ion Implantation and Pulsed Laser Melting (II-PLM)

    NASA Astrophysics Data System (ADS)

    Bhatia, A.; Hlaing Oo, W. M.; Siegel, G.; Stone, P. R.; Yu, K. M.; Scarpulla, M. A.

    2012-05-01

    Ge1- x Sn x thin films are interesting for all-group-IV optoelectronics because of a crossover to a direct bandgap with dilute Sn alloying. However, Sn has vanishing room-temperature equilibrium solubility in Ge, making their synthesis very challenging. Herein, we report on our attempts to synthesize Ge1- x Sn x films on Ge (001) using ion implantation and pulsed laser melting (II-PLM). A maximum of 2 at.% Sn was incorporated with our experimental conditions in the samples as determined by Rutherford back scattering spectroscopy. A red-shift in the Ge optical phonon branch and increased absorption below the Ge bandgap with increasing Sn concentration indicate Sn-induced lattice- and band-structure changes after II-PLM. However, ion-channeling and electron microscopy show that the films are not of sufficient epitaxial quality for use in devices.

  3. Dispersion of nonresonant third-order nonlinearities in GeSiSn ternary alloys

    NASA Astrophysics Data System (ADS)

    de Leonardis, Francesco; Troia, Benedetto; Soref, Richard A.; Passaro, Vittorio M. N.

    2016-09-01

    Silicon (Si), tin (Sn), and germanium (Ge) alloys have attracted research attention as direct band gap semiconductors with applications in electronics and optoelectronics. In particular, GeSn field effect transistors can exhibit very high performance in terms of power reduction and operating speed because of the high electron drift mobility, while the SiGeSn system can be constructed using CMOS-compatible techniques to realize lasers, LED, and photodetectors. The wide Si, Ge and Sn transparencies allow the use of binary and ternary alloys extended to mid-IR wavelengths, where nonlinearities can also be employed. However, neither theoretical or experimental predictions of nonlinear features in SiGeSn alloys are reported in the literature. For the first time, a rigorous and detailed physical investigation is presented to estimate the two photon absorption (TPA) coefficient and the Kerr refractive index for the SiGeSn alloy up to 12 μm. The TPA spectrum, the effective TPA wavelength cut-off, and the Kerr nonlinear refractive index have been determined as a function of alloy compositions. The promising results achieved can pave the way to the demonstration of on-chip nonlinear-based applications, including mid-IR spectrometer-on-a-chip, all-optical wavelength down/up-conversion, frequency comb generation, quantum-correlated photon-pair source generation and supercontinuum source creation, as well as Raman lasing.

  4. Dispersion of nonresonant third-order nonlinearities in GeSiSn ternary alloys

    PubMed Central

    De Leonardis, Francesco; Troia, Benedetto; Soref, Richard A.; Passaro, Vittorio M. N.

    2016-01-01

    Silicon (Si), tin (Sn), and germanium (Ge) alloys have attracted research attention as direct band gap semiconductors with applications in electronics and optoelectronics. In particular, GeSn field effect transistors can exhibit very high performance in terms of power reduction and operating speed because of the high electron drift mobility, while the SiGeSn system can be constructed using CMOS-compatible techniques to realize lasers, LED, and photodetectors. The wide Si, Ge and Sn transparencies allow the use of binary and ternary alloys extended to mid-IR wavelengths, where nonlinearities can also be employed. However, neither theoretical or experimental predictions of nonlinear features in SiGeSn alloys are reported in the literature. For the first time, a rigorous and detailed physical investigation is presented to estimate the two photon absorption (TPA) coefficient and the Kerr refractive index for the SiGeSn alloy up to 12 μm. The TPA spectrum, the effective TPA wavelength cut-off, and the Kerr nonlinear refractive index have been determined as a function of alloy compositions. The promising results achieved can pave the way to the demonstration of on-chip nonlinear-based applications, including mid-IR spectrometer-on-a-chip, all-optical wavelength down/up-conversion, frequency comb generation, quantum-correlated photon-pair source generation and supercontinuum source creation, as well as Raman lasing. PMID:27622979

  5. Contact resistivities of antimony-doped n-type Ge1‑x Sn x

    NASA Astrophysics Data System (ADS)

    Senthil Srinivasan, V. S.; Fischer, Inga A.; Augel, Lion; Hornung, Anja; Koerner, Roman; Kostecki, Konrad; Oehme, Michael; Rolseth, Erlend; Schulze, Joerg

    2016-08-01

    As Ge1‑x Sn x is being investigated for CMOS applications, obtaining contacts to n-type Ge1‑x Sn x with low specific contact resistivity (ρ c) is a major concern. Here, we present results on specific contact resistivities of Sb doped n-type Ge1‑x Sn x with 0 ≤ x ≤ 0.08 also with varying doping concentrations using Ni, Ag and Mn as contact metals. Our results show that Ni offers the lowest ρ c for all x values of Ge1‑x Sn x . The lowest ρ c measured for Ni contacts on highly n-doped Ge0.92Sn0.08 is 2.29 × 10‑6 Ω cm2. We find a strong dependence of the specific contact resistivity on doping, which we attribute to the fact that strong Fermi level pinning is present in metal/n-Ge1‑x Sn x contacts.

  6. Dispersion of nonresonant third-order nonlinearities in GeSiSn ternary alloys.

    PubMed

    De Leonardis, Francesco; Troia, Benedetto; Soref, Richard A; Passaro, Vittorio M N

    2016-01-01

    Silicon (Si), tin (Sn), and germanium (Ge) alloys have attracted research attention as direct band gap semiconductors with applications in electronics and optoelectronics. In particular, GeSn field effect transistors can exhibit very high performance in terms of power reduction and operating speed because of the high electron drift mobility, while the SiGeSn system can be constructed using CMOS-compatible techniques to realize lasers, LED, and photodetectors. The wide Si, Ge and Sn transparencies allow the use of binary and ternary alloys extended to mid-IR wavelengths, where nonlinearities can also be employed. However, neither theoretical or experimental predictions of nonlinear features in SiGeSn alloys are reported in the literature. For the first time, a rigorous and detailed physical investigation is presented to estimate the two photon absorption (TPA) coefficient and the Kerr refractive index for the SiGeSn alloy up to 12 μm. The TPA spectrum, the effective TPA wavelength cut-off, and the Kerr nonlinear refractive index have been determined as a function of alloy compositions. The promising results achieved can pave the way to the demonstration of on-chip nonlinear-based applications, including mid-IR spectrometer-on-a-chip, all-optical wavelength down/up-conversion, frequency comb generation, quantum-correlated photon-pair source generation and supercontinuum source creation, as well as Raman lasing. PMID:27622979

  7. Kesterite Cu2Zn(Sn,Ge)(S,Se)4 thin film with controlled Ge-doping for photovoltaic application

    NASA Astrophysics Data System (ADS)

    Zhao, Wangen; Pan, Daocheng; Liu, Shengzhong (Frank)

    2016-05-01

    Cu2ZnSn(S,Se)4 (CZTSSe) semiconductors have been a focus of extensive research effort owing to low-toxicity, high abundance and low material cost. Yet, the CZTSSe thin film solar cell has a low open-circuit voltage value that presents challenges. Herein, using GeSe2 as a new Ge source material, we have achieved a wider band gap CZTSSe-based semiconductor absorber layer with its band-gap controlled by adjusting the ratio of SnS2 : GeSe2 used. In addition, the Cu2Zn(Sn,Ge)(S,Se)4 thin films were prepared with optimal Ge doping (30%) and solar cells were fabricated to attain a respectable power conversion efficiency of 4.8% under 1.5 AM with an active area of 0.19 cm2 without an anti-reflection layer.Cu2ZnSn(S,Se)4 (CZTSSe) semiconductors have been a focus of extensive research effort owing to low-toxicity, high abundance and low material cost. Yet, the CZTSSe thin film solar cell has a low open-circuit voltage value that presents challenges. Herein, using GeSe2 as a new Ge source material, we have achieved a wider band gap CZTSSe-based semiconductor absorber layer with its band-gap controlled by adjusting the ratio of SnS2 : GeSe2 used. In addition, the Cu2Zn(Sn,Ge)(S,Se)4 thin films were prepared with optimal Ge doping (30%) and solar cells were fabricated to attain a respectable power conversion efficiency of 4.8% under 1.5 AM with an active area of 0.19 cm2 without an anti-reflection layer. Electronic supplementary information (ESI) available: The XRD patterns, chemical component analysis, top-view and cross-sectional images, and XPS of CZTGSSe thin films with different Ge content are exhibited. See DOI: 10.1039/c6nr00959j

  8. Rapid solidification and dendrite growth of ternary Fe-Sn-Ge and Cu-Pb-Ge monotectic alloys

    NASA Astrophysics Data System (ADS)

    Zhang, Xuehua; Ruan, Ying; Wang, Weili; Wei, Bingbo

    2007-08-01

    The phase separation and dendrite growth characteristics of ternary Fe-43.9%Sn-10%Ge and Cu-35.5%Pb-5%Ge monotectic alloys were studied systematically by the glass fluxing method under substantial undercooling conditions. The maximum undercoolings obtained in this work are 245 and 257 K, respectively, for these two alloys. All of the solidified samples exhibit serious macrosegregation, indicating that the homogenous alloy melt is separated into two liquid phases prior to rapid solidification. The solidification structures consist of four phases including α-Fe, (Sn), FeSn and FeSn2 in Fe-43.9%Sn-10%Ge ternary alloy, whereas only (Cu) and (Pb) solid solution phases in Cu-35.5%Pb-5%Ge alloy under different undercoolings. In the process of rapid monotectic solidification, α-Fe and (Cu) phases grow in a dendritic mode, and the transition “dendrite→monotectic cell” happens when alloy undercoolings become sufficiently large. The dendrite growth velocities of α-Fe and (Cu) phases are found to increase with undercooling according to an exponential relation.

  9. Metal-HfO{sub 2}-Ge capacitor: Its enhanced charge trapping properties with S-treated substrate and atomic-layer-deposited HfO{sub 2} layer

    SciTech Connect

    Park, In-Sung; Jung, Yong Chan; Seong, Sejong; Ahn, Jinho; Lee, Sung Bo

    2015-01-15

    The charge trapping properties of metal-HfO{sub 2}-Ge capacitor as a nonvolatile memory have been investigated with (NH{sub 4}){sub 2}S-treated Ge substrate and atomic-layer-deposited HfO{sub 2} layer. The interfacial layer generated by (NH{sub 4}){sub 2}S-treated Ge substrate reveals a trace of -S- bonding, very sharp interface edges, and smooth surface morphology. The Ru-HfO{sub 2}-Ge capacitor with (NH{sub 4}){sub 2}S-treated Ge substrate shows an enhanced interface state with little frequency dispersion, a lower leakage current, and very reliable properties with the enhanced endurance and retention than Ru-HfO{sub 2}-Ge capacitor with cyclic-cleaned Ge substrate.

  10. Reduction of Schottky barrier height at metal/n-Ge interface by introducing an ultra-high Sn content Ge1-xSnx interlayer

    NASA Astrophysics Data System (ADS)

    Suzuki, Akihiro; Nakatsuka, Osamu; Shibayama, Shigehisa; Sakashita, Mitsuo; Takeuchi, Wakana; Kurosawa, Masashi; Zaima, Shigeaki

    2015-11-01

    We investigated the impact of introducing an ultra-high Sn content Ge1-xSnx interlayer on the electrical properties at the metal/Ge interface. We achieved epitaxial growth of a Ge1-xSnx thin layer with an ultra-high substitutional Sn content of up to 46% on a Ge(001) substrate by considering the misfit strain between Ge1-xSnx and Ge. From the current-voltage characteristics of Al/Ge1-xSnx/n-Ge Schottky diodes, we found an increase in the forward current density of the thermionic emission current with increasing Sn content in the Ge1-xSnx interlayer. The Schottky barrier height estimated in Al/Ge1-xSnx/n-Ge diodes decreases to 0.49 eV with an increase in the Sn content up to 46% of the Ge1-xSnx interlayer. The reduction of the barrier height may be due to the shift of the Fermi level pinning position at the metal/Ge interface with a Ge1-xSnx interlayer whose valence band edge is higher than that of Ge. This result enables the effective reduction of the contact resistivity by introducing a group-IV semiconductor alloy interlayer of Ge1-xSnx into the metal/n-Ge interface.

  11. Extended X-ray absorption fine structure investigation of Sn local environment in strained and relaxed epitaxial Ge{sub 1−x}Sn{sub x} films

    SciTech Connect

    Gencarelli, F. Heyns, M.; Grandjean, D.; Shimura, Y.; Vandervorst, W.; Vincent, B.; Loo, R.; Banerjee, D.; Vantomme, A.; Temst, K.

    2015-03-07

    We present an extended X-ray absorption fine structure investigation of the local environment of Sn atoms in strained and relaxed Ge{sub 1−x}Sn{sub x} layers with different compositions. We show that the preferred configuration for the incorporation of Sn atoms in these Ge{sub 1−x}Sn{sub x} layers is that of a α-Sn defect, with each Sn atom covalently bonded to four Ge atoms in a classic tetrahedral configuration. Sn interstitials, Sn-split vacancy complexes, or Sn dimers, if present at all, are not expected to involve more than 2.5% of the total Sn atoms. This finding, along with a relative increase of Sn atoms in the second atomic shell around a central Sn atom in Ge{sub 1−x}Sn{sub x} layers with increasing Sn concentrations, suggests that the investigated materials are homogeneous random substitutional alloys. Within the accuracy of the measurements, the degree of strain relaxation of the Ge{sub 1−x}Sn{sub x} layers does not have a significant impact on the local atomic surrounding of the Sn atoms. Finally, the calculated topological rigidity parameter a** = 0.69 ± 0.29 indicates that the strain due to alloying in Ge{sub 1−x}Sn{sub x} is accommodated via bond stretching and bond bending, with a slight predominance of the latter, in agreement with ab initio calculations reported in literature.

  12. GeSn-on-Si normal incidence photodetectors with bandwidths more than 40 GHz.

    PubMed

    Oehme, Michael; Kostecki, Konrad; Ye, Kaiheng; Bechler, Stefan; Ulbricht, Kai; Schmid, Marc; Kaschel, Mathias; Gollhofer, Martin; Körner, Roman; Zhang, Wogong; Kasper, Erich; Schulze, Jörg

    2014-01-13

    GeSn (Sn content up to 4.2%) photodiodes with vertical pin structures were grown on thin Ge virtual substrates on Si by a low temperature (160 °C) molecular beam epitaxy. Vertical detectors were fabricated by a double mesa process with mesa radii between 5 µm and 80 µm. The nominal intrinsic absorber contains carrier densities from below 1 · 10(16) cm(-3) to 1 · 10(17) cm(-3) for Ge reference detectors and GeSn detectors with 4.2% Sn, respectively. The photodetectors were investigated with electrical and optoelectrical methods from direct current up to high frequencies (40 GHz). For a laser wavelength of 1550 nm an increasing of the optical responsivities (84 mA/W -218 mA/W) for vertical incidence detectors with thin (300 nm) absorbers as function of the Sn content were found. Most important from an application perspective all detectors had bandwidth above 40 GHz at enough reverse voltage which increased from zero to -5 V within the given Sn range. Increasing carrier densities (up to 1 · 10(17) cm(-3)) with Sn contents caused the depletion of the nominal intrinsic absorber at increasing reverse voltages.

  13. Photoluminescence measurements of high Sn-content Ge1-ySny and Ge1 - x - ySixSny grown on Ge-buffered Si

    NASA Astrophysics Data System (ADS)

    Yeo, Yung Kee; Harris, Thomas R.; Wang, Buguo; Ryu, Mee-Yi; Kouvetakis, John

    2015-03-01

    The optical properties of newly developed, high Sn-content Ge1-ySny and Ge1 - x - ySixSny thin films grown on Ge-buffered Si have been characterized using temperature-dependent and laser power-dependent photoluminescence (PL) measurements. The results show two distinct PL peaks related to both the direct (Γ) and indirect (L) bandgap transitions. Furthermore, the measured separation energy between the direct and indirect bandgap related PL peaks for Ge0.948Sn0.052 sample is only about 30 meV compared to the value of 140 meV for bulk Ge. This study shows a very encouraging result toward producing Ge- and Si-based direct bandgap semiconductors, whose predicted indirect-to-direct bandgap crossover could be near 6% Sn. Clear competition between the two transitions is also observed as a function of temperature and laser power. Overall, this work represents an extensive PL characterization of Ge1-ySny and Ge1 - x - ySixSny materials over a wide compositional range and should be useful for the development of next-generation optoelectronic devices. Author to whom correspondence should be addressed. Electronic mail: thomas.harris.ctr@afit.edu

  14. Enhancement of carrier mobility in thin Ge layer by Sn co-doping

    NASA Astrophysics Data System (ADS)

    Prucnal, S.; Liu, F.; Berencén, Y.; Vines, L.; Bischoff, L.; Grenzer, J.; Andric, S.; Tiagulskyi, S.; Pyszniak, K.; Turek, M.; Drozdziel, A.; Helm, M.; Zhou, S.; Skorupa, W.

    2016-10-01

    We present the development, optimization and fabrication of high carrier mobility materials based on GeOI wafers co-doped with Sn and P. The Ge thin films were fabricated using plasma-enhanced chemical vapour deposition followed by ion implantation and explosive solid phase epitaxy, which is induced by millisecond flash lamp annealing. The influence of the recrystallization mechanism and co-doping of Sn on the carrier distribution and carrier mobility both in n-type and p-type GeOI wafers is discussed in detail. This finding significantly contributes to the state-of-the-art of high carrier mobility-GeOI wafers since the results are comparable with GeOI commercial wafers fabricated by epitaxial layer transfer or SmartCut technology.

  15. Enhanced performance of GeSn source-pocket tunnel field-effect transistors for low-power applications

    NASA Astrophysics Data System (ADS)

    Liu, Lei; Liang, Renrong; Wang, Jing; Xu, Jun

    2016-07-01

    Germanium-tin (GeSn) source-pocket tunnel field-effect transistors (TFETs) are comprehensively investigated by numerical device simulations at low supply voltages. Device configurations with homo- and hetero-tunneling junctions (TJ) are analyzed and compared. It is shown that direct-gap GeSn alloys are favorable for increasing the source-pocket tunneling rate. Increasing the source Sn composition of the device may aid the on-state current increase, but the subthreshold swing (SS) is degraded because of the reduced band gap. At ultrascaled supply voltages, the GeSn hetero-TJ TFET with higher pocket Sn composition exhibits the best performance and SS, and the device performance can be further improved by increasing the Sn composition in the pocket region. These simulation results could be used to understand and optimize the performance of GeSn source-pocket TFETs, which are very promising electronic devices for low-power applications.

  16. Pressure and temperature induced elastic properties of Si, Ge, Sn, and Pt carbides

    NASA Astrophysics Data System (ADS)

    Shriya, S.; Jain, S.; Khenata, R.; Varshney, M.; Varshney, Dinesh

    2015-06-01

    The pressure and temperature dependent mechanical properties as melting temperature, hardness and brittle nature of XC (X=Si, Ge, Sn, and Pt) are studied. The model Hamiltonian in ab initio theory include long-range Coulomb, charge transfer, covalency, van der Waals interaction and the short-range repulsive interaction upto second-neighbor ions within the Hafemeister and Flygare approach. Estimated values of volume discontinuity in pressure-volume phase diagram indicate the structural phase transition from ZnS to NaCl structure. From the investigations of elastic constants the pressure (temperature) dependent (Tm) and Vickers Hardness (HV) of XC (X=Si, Ge, Sn, and Pt) and Poisson's and Pugh ratio are calculated. It is noticed that XC (X=Si, Ge, Sn, and Pt) is brittle on applied pressure and temperature.

  17. GeSn p-i-n photodetector for all telecommunication bands detection.

    PubMed

    Su, Shaojian; Cheng, Buwen; Xue, Chunlai; Wang, Wei; Cao, Quan; Xue, Haiyun; Hu, Weixuan; Zhang, Guangze; Zuo, Yuhua; Wang, Qiming

    2011-03-28

    Using a 820 nm-thick high-quality Ge0.97Sn0.03 alloy film grown on Si(001) by molecular beam epitaxy, GeSn p-i-n photodectectors have been fabricated. The detectors have relatively high responsivities, such as 0.52 A/W, 0.23 A/W, and 0.12 A/W at 1310 nm, 1540 nm, and 1640 nm, respectively, under a 1 V reverse bias. With a broad detection spectrum (800-1800 nm) covering the whole telecommunication windows and compatibility with conventional complementary metal-oxide-semiconductors (CMOS) technology, the GeSn devices are attractive for applications in both optical communications and optical interconnects.

  18. Multi-stacks of epitaxial GeSn self-assembled dots in Si: Structural analysis

    SciTech Connect

    Oliveira, F.; Fischer, I. A.; Schulze, J.; Benedetti, A.; Cerqueira, M. F.; Vasilevskiy, M. I.; Stefanov, S.; Chiussi, S.

    2015-03-28

    We report on the growth and structural and morphologic characterization of stacked layers of self-assembled GeSn dots grown on Si (100) substrates by molecular beam epitaxy at low substrate temperature T = 350 °C. Samples consist of layers (from 1 up to 10) of Ge{sub 0.96}Sn{sub 0.04} self-assembled dots separated by Si spacer layers, 10 nm thick. Their structural analysis was performed based on transmission electron microscopy, atomic force microscopy, and Raman scattering. We found that up to 4 stacks of dots could be grown with good dot layer homogeneity, making the GeSn dots interesting candidates for optoelectronic device applications.

  19. Features of the band structure and conduction mechanisms in the n-HfNiSn semiconductor heavily doped with Ru

    SciTech Connect

    Romaka, V. A.; Rogl, P.; Romaka, V. V.; Stadnyk, Yu. V.; Korzh, R. O.; Krayovskyy, V. Ya.; Horyn, A. M.

    2014-12-15

    The crystal and electronic structure and energy and kinetic properties of the n-HfNiSn semiconductor heavily doped with a Ru acceptor impurity are investigated in the temperature and Ru concentration ranges T = 80–400 K and N{sub A}{sup Ru} ≈ 9.5 × 10{sup 19}−5.7 × 10{sup 20} cm{sup −3} (x = 0–0.03), respectively. The mechanism of structural-defect generation is established, which changes the band gap and degree of compensation of the semiconductor and consists in the simultaneous concentration reduction and elimination of donor structural defects by means of the displacement of ∼1% of Ni atoms from the Hf (4a) positions, the generation of acceptor structural defects upon the substitution of Ru atoms for Ni atoms in the 4c positions, and the generation of donor defects in the form of vacancies in the Sn (4b) positions. The calculated electronic structure of HfNi{sub 1−x}Ru{sub x}Sn is consistent with the experiment. The results obtained are discussed within the Shklovsky-Efros model for a heavily doped and compensated semiconductor.

  20. Features of the band structure and conduction mechanisms of n-HfNiSn semiconductor heavily Lu-doped

    SciTech Connect

    Romaka, V. A.; Rogl, P.; Romaka, V. V.; Kaczorowski, D.; Stadnyk, Yu. V.; Korzh, R. O.; Krayovskyy, V. Ya.; Kovbasyuk, T. M.

    2015-03-15

    The crystal and electronic structures, energy, kinetic, and magnetic characteristics of n-HfNiSn semiconductor heavily doped with a Lu acceptor impurity in the ranges T = 80–400 K and N{sub A}{sup Lu} ≈ 1.9 × 10{sup 20}−1.9 × 10{sup 21} cm{sup −3} (x = 0.01–0.10) at H ≤ 10 kG is studied. The nature of the structural-defect generation mechanism leading to changes in the band gap and the degree of semiconductor compensation is determined. Its essence is the simultaneous reduction and elimination of donor-type structural defects due to the displacement of ∼1% of Ni atoms from the Hf (4a) site, the generation of acceptor-type structural defects by substituting Ni atoms with Lu atoms at the 4c site, and the generation of donor-type defects such as vacancies at the Sn (4b) site. The results of calculations of the electronic structure of Hf{sub 1−x}Lu{sub x}NiSn are in agreement with experimental data. The results are discussed within the model of a heavily doped and compensated Shklovskii-Efros semiconductor.

  1. Thermally-driven H interaction with HfO{sub 2} films deposited on Ge(100) and Si(100)

    SciTech Connect

    Soares, G. V. Feijó, T. O.; Baumvol, I. J. R.; Aguzzoli, C.; Krug, C.; Radtke, C.

    2014-01-27

    In the present work, we investigated the thermally-driven H incorporation in HfO{sub 2} films deposited on Si and Ge substrates. Two regimes for deuterium (D) uptake were identified, attributed to D bonded near the HfO{sub 2}/substrate interface region (at 300 °C) and through the whole HfO{sub 2} layer (400–600 °C). Films deposited on Si presented higher D amounts for all investigated temperatures, as well as, a higher resistance for D desorption. Moreover, HfO{sub 2} films underwent structural changes during annealings, influencing D incorporation. The semiconductor substrate plays a key role in this process.

  2. Syntheses, structural variants and characterization of AInM‧S4 (A=alkali metals, Tl; M‧ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds

    NASA Astrophysics Data System (ADS)

    Yohannan, Jinu P.; Vidyasagar, Kanamaluru

    2016-06-01

    Ten AInM‧S4 (A=alkali metals, Tl; M‧= Ge, Sn) compounds with diverse structure types have been synthesized and characterized by single crystal and powder X-ray diffraction and a variety of spectroscopic methods. They are wide band gap semiconductors. KInGeS4(1-β), RbInGeS4(2), CsInGeS4(3-β), TlInGeS4(4-β), RbInSnS4(8-β) and CsInSnS4(9) compounds with three-dimensional BaGa2S4 structure and CsInGeS4(3-α) and TlInGeS4(4-α) compounds with a layered TlInSiS4 structure have tetrahedral [InM‧S4]- frameworks. On the other hand, LiInSnS4(5) with spinel structure and NaInSnS4(6), KInSnS4(7), RbInSnS4(8-α) and TlInSnS4(10) compounds with layered structure have octahedral [InM‧S4]- frameworks. NaInSnS4(6) and KInSnS4(7) compounds undergo facile topotactic ion-exchange, at room temperature, with various mono-, di- and tri-valent cations in aqueous medium to give rise to metastable layered phases.

  3. Emission of direct-gap band in germanium with Ge-GeSn layers on one-dimensional structure

    NASA Astrophysics Data System (ADS)

    Huang, Zhong-Mei; Huang, Wei-Qi; Liu, Shi-Rong; Dong, Tai-Ge; Wang, Gang; Wu, Xue-Ke; Qin, Cao-Jian

    2016-04-01

    In our experiment, it was observed that the emission of direct-gap band in germanium with Ge-GeSn layers on one-dimensional (1D) structure. The results of experiment and calculation demonstrate that the uniaxial tensile strain in the (111) and (110) direction can efficiently transform Ge to a direct bandgap material with the bandgap energy useful for technological application. It is interested that under the tensile strain from Ge-GeSn layers on 1D structure in which the uniaxial strain could be obtained by curved layer (CL) effect, the two bandgaps EΓg and ELg in the (111) direction become nearly equal at 0.83 eV related to the emission of direct-gap band near 1500 nm in the experiments. It is discovered that the red-shift of the peaks from 1500 nm to 1600 nm occurs with change of the uniaxial tensile strain, which proves that the peaks come from the emission of direct-gap band.

  4. Direct bandgap GeSn light emitting diodes for short-wave infrared applications grown on Si

    NASA Astrophysics Data System (ADS)

    von den Driesch, Nils; Stange, Daniela; Wirths, Stephan; Rainko, Denis; Mussler, Gregor; Stoica, Toma; Ikonic, Zoran; Hartmann, Jean-Michel; Grützmacher, Detlev; Mantl, Siegfried; Buca, Dan

    2016-03-01

    The experimental demonstration of fundamental direct bandgap, group IV GeSn alloys has constituted an important step towards realization of the last missing ingredient for electronic-photonic integrated circuits, i.e. the efficient group IV laser source. In this contribution, we present electroluminescence studies of reduced-pressure CVD grown, direct bandgap GeSn light emitting diodes (LEDs) with Sn contents up to 11 at.%. Besides homojunction GeSn LEDs, complex heterojunction structures, such as GeSn/Ge multi quantum wells (MQWs) have been studied. Structural and compositional investigations confirm high crystalline quality, abrupt interfaces and tailored strain of the grown structures. While also being suitable for light absorption applications, all devices show light emission in a narrow short-wave infrared (SWIR) range. Temperature dependent electroluminescence (EL) clearly indicates a fundamentally direct bandgap in the 11 at.% Sn sample, with room temperature emission at around 0.55 eV (2.25 µm). We have, however, identified some limitations of the GeSn/Ge MQW approach regarding emission efficiency, which can be overcome by introducing SiGeSn ternary alloys as quantum confinement barriers.

  5. Indium (In)- and tin (Sn)-based metal induced crystallization (MIC) on amorphous germanium (α-Ge)

    SciTech Connect

    Kang, Dong-Ho; Park, Jin-Hong

    2014-12-15

    Highlights: • In- and Sn-based MIC phenomenon on amorphous (α)-Ge is newly reported. • The In- and Sn-MIC phenomenon respectively started at 250 °C and 400 °C. • The Sn-MIC process presents higher sheet resistance and bigger crystal grains. - Abstract: In this paper, metal-induced crystallization (MIC) phenomenon on α-Ge by indium (In) and tin (Sn) are thoroughly investigated. In- and Sn-MIC process respectively started at 250 °C and 400 °C. Compared to the previously reported MIC samples including In-MIC, Sn-MIC process presented higher sheet resistance (similar to that of SPC) and bigger crystal grains above 50 nm (slightly smaller than that of SPC). According to SIMS analysis, Sn atoms diffused more slowly into Ge than In at 400 °C, providing lower density of heterogeneous nuclei induced by metals and consequently larger crystal grains.

  6. Shielding anisotropy of H-bonded protons in Cs 2GeF 6·4HF

    NASA Astrophysics Data System (ADS)

    Moroz, N. K.; Panich, A. M.; Gabuda, S. P.

    The chemical shift anisotropy of H-bonded protons in polycrystalline Cs 2GeF 6·4HF was determined by the analysis of NMR continuous wave spectra narrowed by the HF molecular diffusion in the crystal lattice. High resolution of spectral components was achieved due to "selective averaging" of the intermolecular dipole interaction. The derived value of ΔσH = 39 ± 7 ppm is close to that for bifluoride ion in KHF 2. For 19F ΔσF = 86 ± 4 ppm was determined.

  7. Ultra-high-speed lateral solid phase crystallization of GeSn on insulator combined with Sn-melting-induced seeding

    NASA Astrophysics Data System (ADS)

    Chikita, H.; Matsumura, R.; Kai, Y.; Sadoh, T.; Miyao, M.

    2014-11-01

    To produce high-performance devices on flexible plastic substrates, it is essential to form Ge-based group IV semiconductors on insulating substrates at low temperatures (≤250 °C). We have developed a technique for solid phase crystallization of amorphous GeSn (≤220 °C) enhanced by Sn doping, and combined with a seeding technique induced by Sn melting (˜250 °C). This combination produces lateral crystallization of amorphous GeSn from seed arrays with no incubation time. As a result, extremely high growth velocities at 220 °C, depending on Sn concentration, e.g., 0.13 μm/h (14% Sn) and 1100 μm/h (23% Sn), are achieved. These velocities are 104-108 times higher than that of pure Ge. This technique enables growth of crystalline GeSn island arrays (diameters: 50-150 μm) at low temperatures (≤250 °C) at controlled positions on insulating substrates.

  8. Orthorhombic-tetragonal phase coexistence and enhanced piezo-response at room temperature in Zr, Sn, and Hf modified BaTiO{sub 3}

    SciTech Connect

    Kalyani, Ajay Kumar; Brajesh, Kumar; Ranjan, Rajeev; Senyshyn, Anatoliy

    2014-06-23

    The effect of Zr, Hf, and Sn in BaTiO{sub 3} has been investigated at close composition intervals in the dilute concentration limit. Detailed structural analysis by x-ray and neutron powder diffraction revealed that merely 2 mol. % of Zr, Sn, and Hf stabilizes a coexistence of orthorhombic (Amm2) and tetragonal (P4mm) phases at room temperature. As a consequence, all the three systems show substantial enhancement in the longitudinal piezoelectric coefficient (d{sub 33}), with Sn modification exhibiting the highest value ∼425 pC/N.

  9. Electroluminescence from GeSn heterostructure pin diodes at the indirect to direct transition

    SciTech Connect

    Gallagher, J. D.; Menéndez, J.; Senaratne, C. L.; Sims, P.; Kouvetakis, J.; Aoki, T.

    2015-03-02

    The emission properties of GeSn heterostructure pin diodes have been investigated. The devices contain thick (400–600 nm) Ge{sub 1−y}Sn{sub y} i-layers spanning a broad compositional range below and above the crossover Sn concentration y{sub c} where the Ge{sub 1−y}Sn{sub y} alloy becomes a direct-gap material. These results are made possible by an optimized device architecture containing a single defected interface thereby mitigating the deleterious effects of mismatch-induced defects. The observed emission intensities as a function of composition show the contributions from two separate trends: an increase in direct gap emission as the Sn concentration is increased, as expected from the reduction and eventual reversal of the separation between the direct and indirect edges, and a parallel increase in non-radiative recombination when the mismatch strains between the structure components is partially relaxed by the generation of misfit dislocations. An estimation of recombination times based on the observed electroluminescence intensities is found to be strongly correlated with the reverse-bias dark current measured in the same devices.

  10. SnGe superstructure materials for Si-based infrared optoelectronics

    NASA Astrophysics Data System (ADS)

    Bauer, M. R.; Cook, C. S.; Aella, P.; Tolle, J.; Kouvetakis, J.; Crozier, P. A.; Chizmeshya, A. V. G.; Smith, David J.; Zollner, S.

    2003-10-01

    We report growth of device-quality, single-crystal SnxGe1-x alloys (with x=0.02-0.2) directly on Si via chemical vapor deposition with deuterium-stabilized Sn hydrides. The high Sn-content materials are stabilized with ordered superstructures that gives rise to a layered structure adjacent to the Si substrate. Density functional theory simulations were used to elucidate the structural and bonding behavior of this material. Optical determinations show a Ge-like band structure that is substantially redshifted compared to that of elemental Ge. Thus, these systems are excellent candidates for a new generation of infrared devices, with the critical advantage that they can be grown directly on Si.

  11. Thermoelectric performance enhancement of Mg2Sn based solid solutions by band convergence and phonon scattering via Pb and Si/Ge substitution for Sn.

    PubMed

    Mao, Jun; Wang, Yumei; Ge, Binghui; Jie, Qing; Liu, Zihang; Saparamadu, Udara; Liu, Weishu; Ren, Zhifeng

    2016-07-27

    In this study, the thermoelectric properties of Mg2Sn0.98-xPbxSb0.02 were first studied, and then Mg2Sn0.93-xSixPb0.05Sb0.02 and Mg2Sn0.93-xGexPb0.05Sb0.02 were accordingly investigated. The results showed that the formation of Mg2Sn0.98-xPbxSb0.02 solid solutions effectively reduced the lattice thermal conductivity of Mg2Sn. The room temperature lattice thermal conductivity of Mg2Sn0.98Sb0.02 is ∼5.2 W m(-1) K(-1) but only ∼2.5 W m(-1) K(-1) for Mg2Sn0.73Pb0.25Sb0.02, a reduction of ∼52%. Further alloying Mg2Sn0.98-xPbxSb0.02 with Mg2Si or Mg2Ge to form Mg2Sn0.93-xSixPb0.05Sb0.02 or Mg2Sn0.93-xGexPb0.05Sb0.02 reduced the lattice thermal conductivity significantly due to enhanced phonon scattering by point defects as well as nanoparticles. Moreover, bipolar thermal conductivities were suppressed due to the larger bandgap of Mg2Si and Mg2Ge than Mg2Sn. Furthermore, similar to the pseudo-binary Mg2Sn-Mg2Si and Mg2Sn-Mg2Ge systems, band convergence was also observed in pseudo-ternary Mg2Sn0.93-xSixPb0.05Sb0.02 and Mg2Sn0.93-xGexPb0.05Sb0.02 materials. The convergence of conduction bands led to higher PFs at lower temperatures for Mg2Sn0.93-xSixPb0.05Sb0.02 and Mg2Sn0.93-xGexPb0.05Sb0.02 materials. As a result, higher peak ZTs of ∼1.3 for Mg2Sn0.63Si0.3Pb0.05Sb0.02 and ∼1.2 for Mg2Sn0.68Ge0.25Pb0.05Sb0.02 were achieved. PMID:27412367

  12. Improved n-channel Ge gate stack performance using HfAlO high-k dielectric for various Al concentrations

    NASA Astrophysics Data System (ADS)

    Kothari, Shraddha; Joishi, Chandan; Ghosh, Sayantan; Biswas, Dipankar; Vaidya, Dhirendra; Ganguly, Swaroop; Lodha, Saurabh

    2016-07-01

    We demonstrate improved Ge n-channel gate stack performance versus HfO2 using HfAlO high-k dielectric for a wide (1.5–33%) range of Al% and post-high-k-deposition annealing (PDA) at 400 °C. Addition of Al to HfO2 is shown to mitigate degradation of the GeO2/Ge interface during PDA. HfAlO stacks with an equivalent oxide thickness (EOT) of 8 nm and large Al% exhibit improved transistor mobility (1.8 times higher) and midgap D it (2 times lower), whereas thin (1.9 nm) EOT HfAlO stacks show reduced gate leakage J g (by 10 times) and D it (by 1.5 times) and 1.6 times higher mobility for Al% as low as 1.5% at matched EOT.

  13. Si-Ge-Sn alloys with 1.0 eV gap for CPV multijunction solar cells

    SciTech Connect

    Roucka, Radek Clark, Andrew; Landini, Barbara

    2015-09-28

    Si-Ge-Sn ternary group IV alloys offer an alternative to currently used 1.0 eV gap materials utilized in multijunction solar cells. The advantage of Si-Ge-Sn is the ability to vary both the bandgap and lattice parameter independently. We present current development in fabrication of Si-Ge-Sn alloys with gaps in the 1.0 eV range. Produced material exhibits excellent structural properties, which allow for integration with existing III-V photovoltaic cell concepts. Time dependent room temperature photoluminescence data demonstrate that these materials have long carrier lifetimes. Absorption tunable by compositional changes is observed. As a prototype device set utilizing the 1 eV Si-Ge-Sn junction, single junction Si-Ge-Sn device and triple junction device with Si-Ge-Sn subcell have been fabricated. The resulting I-V and external quantum efficiency data show that the Si-Ge-Sn junction is fully functional and the performance is comparable to other 1.0 eV gap materials currently used.

  14. Ge{sub 1-y}Sn{sub y} (y = 0.01-0.10) alloys on Ge-buffered Si: Synthesis, microstructure, and optical properties

    SciTech Connect

    Senaratne, C. L.; Kouvetakis, J.; Gallagher, J. D.; Jiang, Liying; Smith, D. J.; Menéndez, J.; Aoki, Toshihiro

    2014-10-07

    Novel hydride chemistries are employed to deposit light-emitting Ge{sub 1-y}Sn{sub y} alloys with y ≤ 0.1 by Ultra-High Vacuum Chemical Vapor Deposition (UHV-CVD) on Ge-buffered Si wafers. The properties of the resultant materials are systematically compared with similar alloys grown directly on Si wafers. The fundamental difference between the two systems is a fivefold (and higher) decrease in lattice mismatch between film and virtual substrate, allowing direct integration of bulk-like crystals with planar surfaces and relatively low dislocation densities. For y ≤ 0.06, the CVD precursors used were digermane Ge₂H₆ and deuterated stannane SnD₄. For y ≥ 0.06, the Ge precursor was changed to trigermane Ge₃H₈, whose higher reactivity enabled the fabrication of supersaturated samples with the target film parameters. In all cases, the Ge wafers were produced using tetragermane Ge₄H₁₀ as the Ge source. The photoluminescence intensity from Ge{sub 1–y}Sn{sub y}/Ge films is expected to increase relative to Ge{sub 1–y}Sn{sub y}/Si due to the less defected interface with the virtual substrate. However, while Ge{sub 1–y}Sn{sub y}/Si films are largely relaxed, a significant amount of compressive strain may be present in the Ge{sub 1–y}Sn{sub y}/Ge case. This compressive strain can reduce the emission intensity by increasing the separation between the direct and indirect edges. In this context, it is shown here that the proposed CVD approach to Ge{sub 1–y}Sn{sub y}/Ge makes it possible to approach film thicknesses of about 1 μm, for which the strain is mostly relaxed and the photoluminescence intensity increases by one order of magnitude relative to Ge{sub 1–y}Sn{sub y}/Si films. The observed strain relaxation is shown to be consistent with predictions from strain-relaxation models first developed for the Si{sub 1–x}Ge{sub x}/Si system. The defect structure and atomic distributions in the films are studied in detail using advanced electron

  15. Sn-mediated Ge/Ge(001) growth by low-temperature molecular-beam epitaxy: Surface smoothening and enhanced epitaxial thickness

    SciTech Connect

    Bratland, K.A.; Foo, Y.L.; Spila, T.; Seo, H.-S.; Haasch, R.T.; Desjardins, P.; Greene, J.E.

    2005-02-15

    Fully strained single-crystal metastable Ge{sub 1-x}Sn{sub x} layers were grown on Ge(001) in order to probe the role of Sn dopant and alloy concentrations (C{sub Sn}=1x10{sup 18} cm{sup -3} to 6.1 at. %) on surface roughening pathways leading to epitaxial breakdown during low-temperature (155 deg. C) molecular-beam epitaxy of compressively strained films. The addition of Sn was found to mediate Ge(001) surface morphological evolution through two competing pathways. At very low Sn concentrations (x < or approx. 0.02), the dominant effect is a Sn-induced enhancement in both the Ge surface diffusivity and the probability of interlayer mass transport. This, in turn, results in more efficient filling of interisland trenches, and thus delays epitaxial breakdown. In fact, breakdown is not observed at all for Sn concentrations in the doping regime, 1x10{sup 18}{<=}C{sub Sn}<4.4x10{sup 20} cm{sup -3} (2.3x10{sup -5}{<=}x<0.010){exclamation_point} At higher concentrations, there is a change in Ge{sub 1-x}Sn{sub x}(001) growth kinetics due to a rapid increase in the amount of compressive strain. This leads to a gradual reduction in the film thickness h{sub 1}(x) corresponding to the onset of breakdown as strain-induced roughening overcomes the surface smoothening effects, and results in an increase in the overall roughening rate. We show that by varying the Sn concentration through the dopant to dilute alloy concentration range during low-temperature Ge(001) growth, we can controllably manipulate the surface roughening pathway, and hence the epitaxial thickness, over a very wide range.

  16. SnO2 anode surface passivation by atomic layer deposited HfO2 improves Li-ion battery performance.

    PubMed

    Yesibolati, Nulati; Shahid, Muhammad; Chen, Wei; Hedhili, M N; Reuter, M C; Ross, F M; Alshareef, H N

    2014-07-23

    For the first time, it is demonstrated that nanoscale HfO2 surface passivation layers formed by atomic layer deposition (ALD) significantly improve the performance of Li ion batteries with SnO2 -based anodes. Specifically, the measured battery capacity at a current density of 150 mAg(-1) after 100 cycles is 548 and 853 mAhg(-1) for the uncoated and HfO2 -coated anodes, respectively. Material analysis reveals that the HfO2 layers are amorphous in nature and conformably coat the SnO2 -based anodes. In addition, the analysis reveals that ALD HfO2 not only protects the SnO2 -based anodes from irreversible reactions with the electrolyte and buffers its volume change, but also chemically interacts with the SnO2 anodes to increase battery capacity, despite the fact that HfO2 is itself electrochemically inactive. The amorphous nature of HfO2 is an important factor in explaining its behavior, as it still allows sufficient Li diffusion for an efficient anode lithiation/delithiation process to occur, leading to higher battery capacity.

  17. Cu2Sn1‑ x Ge x S3 solar cells fabricated with a graded bandgap structure

    NASA Astrophysics Data System (ADS)

    Umehara, Mitsutaro; Tajima, Shin; Aoki, Yuko; Takeda, Yasuhiko; Motohiro, Tomoyoshi

    2016-07-01

    We fabricated Cu2Sn1‑ x Ge x S3 (CTGS) solar cells with a graded bandgap structure in order to improve their photovoltaic performance. Bandgap gradation was formed by changing the Ge/Sn ratio in the depth direction of the CTGS layers. The composition profile of each sample was measured by secondary ion mass spectrometry, and we confirmed that the Ge/Sn ratio near the buffer layer was lower than that near the back electrode. This means that the bandgap increases with depth from the surface. The performance of the cells was improved to over 6.7% in conversion efficiency.

  18. The Si, Ge, Sn, Pb doped (6,3) Chiral single-walled carbon nanotubes: A computational study

    NASA Astrophysics Data System (ADS)

    Reza Zardoost, Mohammad; Dehbandi, Behnam

    2013-12-01

    Electronic structure properties including bond lengths, bond angles, dipole moments (μ), energies, band gaps, NMR parameters of the isotropic and anisotropic chemical shielding parameters for the sites of various atoms were calculated using the density functional theory for Si, Ge, Sn, Pb doped (6,3) Chiral single-walled carbon nanotubes (SWCNTs). The calculations indicated that average bond lengths were as: Pb3C>Sn3C>Ge3C>Si3C>C3C. The dipole moments for Si, Ge, Sn, Pb doped (6,3) Chiral single-walled carbon nanotubes structures show fairly large changes with respect to the pristine model.

  19. Epitaxial GeSn film formed by solid phase epitaxy and its application to Yb{sub 2}O{sub 3}-gated GeSn metal-oxide-semiconductor capacitors with sub-nm equivalent oxide thickness

    SciTech Connect

    Lee, Ching-Wei; Wu, Yung-Hsien; Hsieh, Ching-Heng; Lin, Chia-Chun

    2014-11-17

    Through the technique of solid phase epitaxy (SPE), an epitaxial Ge{sub 0.955}Sn{sub 0.045} film was formed on a Ge substrate by depositing an amorphous GeSn film followed by a rapid thermal annealing at 550 °C. A process that uses a SiO{sub 2} capping layer on the amorphous GeSn film during SPE was proposed and it prevents Sn precipitation from occurring while maintaining a smooth surface due to the reduced surface mobility of Sn atoms. The high-quality epitaxial GeSn film was observed to have single crystal structure, uniform thickness and composition, and tiny surface roughness with root mean square of 0.56 nm. With a SnO{sub x}-free surface, Yb{sub 2}O{sub 3}-gated GeSn metal-oxide-semiconductor (MOS) capacitors with equivalent oxide thickness (EOT) of 0.55 nm were developed. A small amount of traps inside the Yb{sub 2}O{sub 3} was verified by negligible hysteresis in capacitance measurement. Low leakage current of 0.4 A/cm{sup 2} at gate bias of flatband voltage (V{sub FB})-1 V suggests the high quality of the gate dielectric. In addition, the feasibility of using Yb{sub 2}O{sub 3} to well passivate GeSn surface was also evidenced by the small interface trap density (D{sub it}) of 4.02 × 10{sup 11} eV{sup −1} cm{sup −2}, which can be attributed to smooth GeSn surface and Yb{sub 2}O{sub 3} valency passivation. Both leakage current and D{sub it} performance outperform other passivation techniques at sub-nm EOT regime. The proposed epitaxial GeSn film along with Yb{sub 2}O{sub 3} dielectric paves an alternative way to enable high-performance GeSn MOS devices.

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

    PubMed

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

    2015-12-14

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

  1. Formation of non-substitutional β-Sn defects in Ge{sub 1−x}Sn{sub x} alloys

    SciTech Connect

    Fuhr, J. D.; Ventura, C. I.; Barrio, R. A.

    2013-11-21

    Although group IV semiconductor alloys are expected to form substitutionally, in Ge{sub 1−x}Sn{sub x} this is true only for low concentrations (x < 0.13). The use of these alloys as a narrow gap semiconductor depends on the ability to produce samples with the high quality required for optoelectronic device applications. In a previous paper, we proposed the existence of a non-substitutional complex defect (β-Sn), consisting of a single Sn atom in the center of a Ge divacancy, which may account for the segregation of Sn at large x. Afterwards, the existence of this defect was confirmed experimentally. In this paper we study the local environment and the interactions of the substitutional defect (α-Sn), the vacancy in Ge, and the β-Sn defect by performing extensive numerical ab initio calculations. Our results confirm that a β-Sn defect can be formed by natural diffusion of a vacancy around the substitutional α-Sn defect, since the energy barrier for the process is very small.

  2. Growth and characterization of SiGeSn quantum well photodiodes.

    PubMed

    Fischer, Inga A; Wendav, Torsten; Augel, Lion; Jitpakdeebodin, Songchai; Oliveira, Filipe; Benedetti, Alessandro; Stefanov, Stefan; Chiussi, Stefano; Capellini, Giovanni; Busch, Kurt; Schulze, Jörg

    2015-09-21

    We report on the fabrication and electro-optical characterization of SiGeSn multi-quantum well PIN diodes. Two types of PIN diodes, in which two and four quantum wells with well and barrier thicknesses of 10 nm each are sandwiched between B- and Sb-doped Ge-regions, were fabricated as single-mesa devices, using a low-temperature fabrication process. We discuss measurements of the diode characteristics, optical responsivity and room-temperature electroluminescence and compare with theoretical predictions from band structure calculations. PMID:26406705

  3. Features of conduction mechanisms in n-HfNiSn semiconductor heavily doped with a Rh acceptor impurity

    SciTech Connect

    Romaka, V. A.; Rogl, P.; Stadnyk, Yu. V.; Romaka, V. V.; Hlil, E. K.; Krajovskii, V. Ya.; Horyn, A. M.

    2013-09-15

    The crystal structure and electron-density distribution, as well as the energy, kinetic, and magnetic characteristics of n-HfNiSn intermetallic semiconductor heavily doped with a Rh acceptor impurity in the temperature range T = 80-400 K, in the acceptor-concentration range N{sub A}{sup Rh} Almost-Equal-To 9.5 Multiplication-Sign 10{sup 19}-1.9 Multiplication-Sign 10{sup 21} cm{sup -3} (x = 0.005-0.10), and in magnetic fields H {<=} 10 kG are investigated. It is established that doping is accompanied by a simultaneous decrease in concentration, the elimination of donor-type structural defects (to x Almost-Equal-To 0.02), and an increase in the concentration of acceptor-type structural defects (0 < x {<=} 0.10). The dependence of the degree of semiconductor compensation on temperature is revealed. A model of the spatial arrangement of atoms in HfNi{sub 1-x}Rh{sub x}Sn is proposed, and the results of calculating the electron structure based on this model agree with the results of investigations of the kinetic and magnetic characteristics of the semiconductor. The results are discussed within the context of the Shklovskii-Efros model for a heavily doped and compensated semiconductor.

  4. Electrical characteristics of Ni Ohmic contact on n-type GeSn

    SciTech Connect

    Li, H.; Cheng, H. H.; Lee, L. C.; Lee, C. P.; Su, L. H.; Suen, Y. W.

    2014-06-16

    We report an investigation of the electrical and material characteristics of Ni on an n-type GeSn film under thermal annealing. The current-voltage traces measured with the transmission line method are linear for a wide range of annealing temperatures. The specific contact resistivity was found to decrease with increasing annealing temperature, followed by an increase as the annealing temperature further increased, with a minimum value at an annealing temperature of 350 °C. The material characteristics at the interface layer were measured by energy-dispersive spectrometer, showing that an atomic ratio of (Ni)/(GeSn) = 1:1 yields the lowest specific contact resistivity.

  5. Temperature-dependent study of Si-based GeSn photoconductors

    NASA Astrophysics Data System (ADS)

    Pham, Thach; Du, Wei; Margetis, Joe; Ghetmiri, Seyed A.; Mosleh, Aboozar; Sun, Greg; Soref, Richard A.; Tolle, John; Naseem, Hameed A.; Li, Baohua; Yu, Shui-Qing

    2015-02-01

    Si based Ge1-xSnx photoconductors, with Sn incorporation of 0.9, 3.2, and 7%, were fabricated using a CMOS-compatible process. Temperature dependent study was conducted from 300 to 77 K. The first generation device (standard photoconductor, PD) shows long wavelength cut-off beyond 2.1 μm for 7%-Sn devices at room temperature. The peak responsivity and D* of the 7% Sn device at 1.55 μm were obtained at 77K as 0.08 A/W and 1×109 cm*Hz1/2*W-1, respectively. Improved responsivity and specific detectivity (D*) were observed on second generation devices by a newly designed electrode structure (photoconductor with interdigitated electrodes, IEPD). The enhancement factor of responsivity was up to 15 at 77 K.

  6. The interaction between divacancies and shallow dopants in irradiated Ge:Sn

    SciTech Connect

    Khirunenko, L. I.; Pomozov, Yu. V.; Sosnin, M. G.; Abrosimov, N. V.; Riemann, H.

    2014-02-21

    It has been found that upon annealing of irradiated Ge doped with gallium and Sn simultaneously with disappearance of divacancies V{sub 2}{sup 0} the appearance of the new absorption spectrum consisting of sharp lines was observed. The spectrum is identical to the absorption spectrum of gallium. It is shown that the defect, to which the new spectrum corresponds, has hydrogen-like properties. The distances between the lines in the spectrum are in good agreement with those predicted by effective-mass theory. The appearance of Fano resonance in the continuum region in addition to intracenter transitions of the defect was detected. The defect found is identified as SnV{sub 2}{sup 0}Ga. The binding energy for the ground state of the SnV{sub 2}{sup 0}Ga centers has been estimated.

  7. Electroluminescence from GeSn heterostructure pin diodes at the indirect to direct transition

    NASA Astrophysics Data System (ADS)

    Gallagher, J. D.; Senaratne, C. L.; Sims, P.; Aoki, T.; Menéndez, J.; Kouvetakis, J.

    2015-03-01

    The emission properties of GeSn heterostructure pin diodes have been investigated. The devices contain thick (400-600 nm) Ge1-ySny i-layers spanning a broad compositional range below and above the crossover Sn concentration yc where the Ge1-ySny alloy becomes a direct-gap material. These results are made possible by an optimized device architecture containing a single defected interface thereby mitigating the deleterious effects of mismatch-induced defects. The observed emission intensities as a function of composition show the contributions from two separate trends: an increase in direct gap emission as the Sn concentration is increased, as expected from the reduction and eventual reversal of the separation between the direct and indirect edges, and a parallel increase in non-radiative recombination when the mismatch strains between the structure components is partially relaxed by the generation of misfit dislocations. An estimation of recombination times based on the observed electroluminescence intensities is found to be strongly correlated with the reverse-bias dark current measured in the same devices.

  8. Substitution Reactions of the Aluminum Chlorogermylenoid H2GeClAlCl2 with HF, H2O, NH3, HCl, H2S, and PH3.

    PubMed

    Yan, Bingfei; Zhang, Mingxia; Li, Wenzuo; Xiao, Cuiping; Li, Qingzhong; Cheng, Jianbo

    2016-01-01

    Quantum chemical calculations have been performed for the substitution reactions of the aluminum chlorogermylenoid H2GeClAlCl2 with HF, H2O, NH3, HCl, H2S, and PH3 to get more insights into the reactivity of H2GeClAlCl2. The theoretical calculated results indicated that the substitution reactions of H2GeClAlCl2 with HF, H2O, NH3, HCl, H2S, and PH3 proceeded in a concerted manner. There were one transition state and one intermediate which connected the reactants and the products along the potential energy surface. The six substitution reactions of H2GeClAlCl2 with HF, H2O, NH3, HCl, H2S, and PH3 are compared with the addition reaction s of H2Ge with these hydrides. And based on the calculated results we concluded that the substitution reactions of H2GeClAlCl2 with these hydrides involve two steps, one is dissociation onto H2Ge with AlCl3, and the other is the addition reactions of H2Ge with HF, H2O, NH3, HCl, H2S, and PH3.

  9. Energy band alignment of atomic layer deposited HfO{sub 2} on epitaxial (110)Ge grown by molecular beam epitaxy

    SciTech Connect

    Hudait, M. K.; Zhu, Y.; Maurya, D.; Priya, S.

    2013-03-04

    The band alignment properties of atomic layer HfO{sub 2} film deposited on epitaxial (110)Ge, grown by molecular beam epitaxy, was investigated using x-ray photoelectron spectroscopy. The cross-sectional transmission electron microscopy exhibited a sharp interface between the (110)Ge epilayer and the HfO{sub 2} film. The measured valence band offset value of HfO{sub 2} relative to (110)Ge was 2.28 {+-} 0.05 eV. The extracted conduction band offset value was 2.66 {+-} 0.1 eV using the bandgaps of HfO{sub 2} of 5.61 eV and Ge bandgap of 0.67 eV. These band offset parameters and the interface chemical properties of HfO{sub 2}/(110)Ge system are of tremendous importance for the design of future high hole mobility and low-power Ge-based metal-oxide transistor devices.

  10. Ultra-low temperature (≤300 °C) growth of Ge-rich SiGe by solid-liquid-coexisting annealing of a-GeSn/c-Si structures

    SciTech Connect

    Sadoh, Taizoh Chikita, Hironori; Miyao, Masanobu; Matsumura, Ryo

    2015-09-07

    Ultra-low temperature (≤300 °C) growth of Ge-rich SiGe on Si substrates is strongly desired to realize advanced electronic and optical devices, which can be merged onto Si large-scale integrated circuits (LSI). To achieve this, annealing characteristics of a-GeSn/c-Si structures are investigated under wide ranges of the initial Sn concentrations (0%–26%) and annealing conditions (300–1000 °C, 1 s–48 h). Epitaxial growth triggered by SiGe mixing is observed after annealing, where the annealing temperatures necessary for epitaxial growth significantly decrease with increasing initial Sn concentration and/or annealing time. As a result, Ge-rich (∼80%) SiGe layers with Sn concentrations of ∼2% are realized by ultra-low temperature annealing (300 °C, 48 h) for a sample with the initial Sn concentration of 26%. The annealing temperature (300 °C) is in the solid-liquid coexisting temperature region of the phase diagram for Ge-Sn system. From detailed analysis of crystallization characteristics and composition profiles in grown layers, it is suggested that SiGe mixing is generated by a liquid-phase reaction even at ultra-low temperatures far below the melting temperature of a-GeSn. This ultra-low-temperature growth technique of Ge-rich SiGe on Si substrates is expected to be useful to realize next-generation LSI, where various multi-functional devices are integrated on Si substrates.

  11. Electronic band structure trends of perovskite halides: Beyond Pb and Sn to Ge and Si

    NASA Astrophysics Data System (ADS)

    Huang, Ling-yi; Lambrecht, Walter R. L.

    2016-05-01

    The trends in electronic band structure are studied in the cubic A B X3 halide perovskites for A =Cs ; B =Pb , Sn, Ge, Si; and X =I , Br, Cl. The gaps are found to decrease from Pb to Sn and from Ge to Si, but increase from Sn to Ge. The trend is explained in terms of the atom s levels of the group-IV element and the atomic sizes which changes the amount of hybridization with X -p and hence the valence bandwidth. Along the same series spin-orbit coupling also decreases and this tends to increase the gap because of the smaller splitting of the conduction band minimum. Both effects compensate each other to a certain degree. The trend with halogens is to reduce the gap from Cl to I, i.e., with decreasing electronegativity. The role of the tolerance factor in avoiding octahedron rotations and octahedron edge sharing is discussed. The Ge containing compounds have tolerance factor t >1 and hence do not show the series of octahedral rotation distortions and the existence of edge-sharing octahedral phases known for Pb and Sn-based compounds, but rather a rhombohedral distortion. CsGeI3 is found to have a suitable gap for photovoltaics both in its cubic (high-temperature) and rhombohedral (low-temperature) phases. The structural stability of the materials in the different phases is also discussed. We find the rhombohedral phase to have lower total energy and slightly larger gaps but to present a less significant distortion of the band structure than the edge-sharing octahedral phases, such as the yellow phase in CsSnI3. The corresponding silicon based compounds have not yet been synthesized and therefore our estimates are less certain but indicate a small gap for cubic CsSiI3 and CsSiBr3 of about 0.2 ±0.2 eV and 0.8 ±0.6 eV for CsSiCl3. The intrinsic stability of the Si compounds is discussed.

  12. Effects of Sn Substitution on Thermoelectric Properties of Ge4SbTe5

    NASA Astrophysics Data System (ADS)

    Williams, Jared B.; Mather, Spencer; Morelli, Donald T.

    2016-02-01

    Phase-change materials are identified by their ability to rapidly alternate between amorphous and crystalline phases upon heating, exhibiting large contrast in the optical/electrical properties of the respective phases. Such materials are primarily used in memory storage applications, but recently they have also been identified as potential thermoelectric materials. Many of the phase-change materials studied today can be found on the pseudobinary (GeTe)1- x (Sb2Te3) x tie-line. Ge4SbTe5, a single-phase compound just off of the (GeTe)1- x (Sb2Te3) x tie-line, forms in a metastable rocksalt crystal structure at room temperature. It has been found that stoichiometric and undoped Ge4SbTe5 exhibits thermal conductivity of ~1.2 W/m-K at high temperature and a dramatic decrease in electrical resistivity at 623 K due to a structural phase transition, which leads to a large enhancement in both thermoelectric power factor and thermoelectric figure of merit at 823 K. Introducing point defects via isoelectronic substitutions can be an effective means of reducing thermal conductivity and enhancing thermoelectric performance. We present a study of the effects of Sn substitution for Ge on the electrical and thermal transport properties of Ge4SbTe5.

  13. Theoretical investigation of tensile strained GeSn waveguide with Si₃N₄ liner stressor for mid-infrared detector and modulator applications.

    PubMed

    Zhang, Qingfang; Liu, Yan; Yan, Jing; Zhang, Chunfu; Hao, Yue; Han, Genquan

    2015-03-23

    We theoretically investigate a tensile strained GeSn waveguide integrated with Si₃N₄ liner stressor for the applications in mid-infrared (MIR) detector and modulator. A substantial tensile strain is induced in a 1 × 1 μm² GeSn waveguide by the expansion of 500 nm Si₃N₄ liner stressor and the contour plots of strain are simulated by the finite element simulation. Under the tensile strain, the direct bandgap E(G,Γ) of GeSn is significantly reduced by lowering the Γ conduction valley in energy and lifting of degeneracy of valence bands. Absorption coefficients of tensile strained GeSn waveguides with different Sn compositions are calculated. As the Si₃N₄ liner stressor expands by 1%, the cut-off wavelengths of tensile strained Ge(0.97)Sn(0.03), Ge(0.95)Sn(0.05), and Ge(0.90)Sn(0.10) waveguide photodetectors are extended to 2.32, 2.69, and 4.06 μm, respectively. Tensile strained Ge(0.90)Sn(0.10) waveguide electro-absorption modulator based on Franz-Keldysh (FK) effect is demonstrated in theory. External electric field dependence of cut-off wavelength and propagation loss of tensile strained Ge(0.90)Sn(0.10) waveguide is observed, due to the FK effect.

  14. Large grain growth of Ge-rich Ge{sub 1−x}Sn{sub x} (x ≈ 0.02) on insulating surfaces using pulsed laser annealing in flowing water

    SciTech Connect

    Kurosawa, Masashi; Taoka, Noriyuki; Nakatsuka, Osamu; Zaima, Shigeaki; Ikenoue, Hiroshi

    2014-02-10

    We investigate Sn incorporation effects on the growth characteristics of Ge-rich Ge{sub 1−x}Sn{sub x} (x < 0.02) on SiO{sub 2} crystallized by pulsed laser annealing (PLA) in air and water. Despite the very low Sn content of 2%, Sn atoms within the GeSn layers play a role in preventing ablation and aggregation of the layers during these PLA. Raman and electron backscatter diffraction measurements demonstrate achievement of large-grain (∼800 nmϕ) growth of Ge{sub 0.98}Sn{sub 0.02} polycrystals by using PLA in water. These polycrystals also show a tensile-strain of ∼0.68%. This result opens up the possibility for developing GeSn-based devices fabricated on flexible substrates as well as Si platforms.

  15. Systematic study of GeSn heterostructure-based light-emitting diodes towards mid-infrared applications

    NASA Astrophysics Data System (ADS)

    Zhou, Yiyin; Dou, Wei; Du, Wei; Pham, Thach; Ghetmiri, Seyed Amir; Al-Kabi, Sattar; Mosleh, Aboozar; Alher, Murtadha; Margetis, Joe; Tolle, John; Sun, Greg; Soref, Richard; Li, Baohua; Mortazavi, Mansour; Naseem, Hameed; Yu, Shui-Qing

    2016-07-01

    Temperature-dependent characteristics of GeSn light-emitting diodes with Sn composition up to 9.2% have been systematically studied. Such diodes were based on Ge/GeSn/Ge double heterostructures (DHS) that were grown directly on a Si substrate via a chemical vapor deposition system. Both photoluminescence and electroluminescence spectra have been characterized at temperatures from 300 to 77 K. Based on our theoretical calculation, all GeSn alloys in this study are indirect bandgap materials. However, due to the small energy separation between direct and indirect bandgap, and the fact that radiative recombination rate greater than non-radiative, the emissions are mainly from the direct Γ-valley to valence band transitions. The electroluminescence emissions under current injection levels from 102 to 357 A/cm2 were investigated at 300 K. The monotonic increase of the integrated electroluminescence intensity was observed for each sample. Moreover, the electronic band structures of the DHS were discussed. Despite the indirect GeSn bandgap owing to the compressive strain, type-I band alignment was achieved with the barrier heights ranging from 11 to 47 meV.

  16. Electrical and structural properties of group-4 transition-metal nitride (TiN, ZrN, and HfN) contacts on Ge

    NASA Astrophysics Data System (ADS)

    Yamamoto, Keisuke; Noguchi, Ryutaro; Mitsuhara, Masatoshi; Nishida, Minoru; Hara, Toru; Wang, Dong; Nakashima, Hiroshi

    2015-09-01

    Electrical and structural properties were investigated for group-4 transition-metal nitride contacts on Ge (TiN/Ge, ZrN/Ge, and HfN/Ge), which were prepared by direct sputter depositions using nitride targets. These contacts could alleviate the intrinsic Fermi-level pinning (FLP) position toward the conduction band edge. It was revealed that this phenomenon is induced by an amorphous interlayer (a-IL) containing nitrogen atoms at the nitride/Ge interfaces. The strength of FLP alleviation positively depended on the thickness of a-IL. TiN/Ge and ZrN/Ge contacts with ˜2 nm-thick a-ILs showed strong FLP alleviations with hole barrier heights (ΦBP) in the range of 0.52-56 eV, and a HfN/Ge contact with an ˜1 nm-thick a-IL showed a weaker one with a ΦBP of 0.39 eV. However, TaN/Ge contact without a-IL did not show such FLP alleviation. Based on the results of depth distributions for respective elements, we discussed the formation kinetics of a-ILs at TiN/Ge and ZrN/Ge interfaces. Finally, we proposed an interfacial dipole model to explain the FLP alleviation.

  17. Electrical and structural properties of group-4 transition-metal nitride (TiN, ZrN, and HfN) contacts on Ge

    SciTech Connect

    Yamamoto, Keisuke; Nakashima, Hiroshi; Noguchi, Ryutaro; Wang, Dong; Mitsuhara, Masatoshi; Nishida, Minoru; Hara, Toru

    2015-09-21

    Electrical and structural properties were investigated for group-4 transition-metal nitride contacts on Ge (TiN/Ge, ZrN/Ge, and HfN/Ge), which were prepared by direct sputter depositions using nitride targets. These contacts could alleviate the intrinsic Fermi-level pinning (FLP) position toward the conduction band edge. It was revealed that this phenomenon is induced by an amorphous interlayer (a-IL) containing nitrogen atoms at the nitride/Ge interfaces. The strength of FLP alleviation positively depended on the thickness of a-IL. TiN/Ge and ZrN/Ge contacts with ∼2 nm-thick a-ILs showed strong FLP alleviations with hole barrier heights (Φ{sub BP}) in the range of 0.52–56 eV, and a HfN/Ge contact with an ∼1 nm-thick a-IL showed a weaker one with a Φ{sub BP} of 0.39 eV. However, TaN/Ge contact without a-IL did not show such FLP alleviation. Based on the results of depth distributions for respective elements, we discussed the formation kinetics of a-ILs at TiN/Ge and ZrN/Ge interfaces. Finally, we proposed an interfacial dipole model to explain the FLP alleviation.

  18. Crystal structure and magnetic properties of novel Hf3Ni2Si3-type R3Co2Ge3 compounds (R=Y, Sm, Tb-Tm)

    NASA Astrophysics Data System (ADS)

    Morozkin, A. V.; Nirmala, R.; Yao, Jinlei; Mozharivskyj, Y.; Isnard, O.

    2012-12-01

    The novel R3Co2Ge3 compounds with R=Y, Sm, Tb-Tm adopt the Hf3Ni2Si3-type structure (ordered variant of the Ca3Ga5-type one, space group Cmcm). Sm3Co2Ge3, Tb3Co2Ge3, Ho3Co2Ge3 and Er3Co2Ge3 undergo an antiferromagnetic-type ordering and Tb3Co2Ge3 demonstrates a field-sensitive magnetic behavior. Tm3Co2Ge3 is a pure paramagnet down to 5 K, whereas Y3Co2Ge3 demonstrates Pauli paramagnetism down to ∼120 K. In zero applied field and between ∼50 and ∼15 K Tb3Co2Ge3 shows a non-collinear antiferromagnetic ordering with wave vectors K0=[0, 0, 0] and K1=[±1/3, 0, 0] and a magnetic unit cell 3aTb3Co2Ge2×bTb3Co2Ge3×cTb3Co2Ge3 , whereas below ∼15 K it exhibits a complex antiferromagnetic ordering with K0=[0, 0, 0], K1=[±1/3, 0, 0] and K2=[1/2, 0, 0] wave vectors and magnetic unit cell 6aTb3Co2Ge2×bTb3Co2Ge2×cTb3Co2Ge2.

  19. Distribution of free carriers near heavily-doped epitaxial surfaces of n-type Ge(100) upon HF and HCl treatments

    SciTech Connect

    Park, S. J.; Bolotov, L.; Uchida, N.; Tada, T.

    2015-10-15

    Carrier distributions near n-type epitaxially-grown Ge(100) surfaces with high impurity concentrations (1 × 10{sup 20} cm{sup −3}) were studied using high resolution electron energy loss spectroscopy (HREELS) upon surface treatments in aqueous solutions of HF and HCl. After surface treatments with HCl and HF, the molecular vibration modes distinctly showed either chloride or hydride terminations of Ge surfaces with negligible oxidation. The free-carrier concentration profile was inferred from the conduction band plasmon measurements as a function of the incident electron energies employing a dielectric theory simulation with a 4-layer structure and an effective electron mass of 0.02m{sub 0}. A carrier-free layer of 40 and 24 Å were derived for HCl- and HF-treated Ge(100), respectively. The surface band bending was estimated to be 0.32 eV for HF-treated Ge. HCl-treated Ge surfaces showed a band bending of 0.91 eV attributed to the strong effect of the surface Cl-Ge dipole.

  20. Dielectric behavior of a-Sn-Se-Pb-Ge chalcogenide glass

    SciTech Connect

    Kumar, Prashant Modgil, Vivek; Choudhary, Shobhana; Nidhi, A. V.; Rangra, V. S.

    2015-05-15

    The bulk material Sn{sub 8}Se{sub 74}Pb{sub 18-x}Ge{sub x}(7≤x≤11) has been prepared by melt quenching technique. The viterous and glassy nature have been confirmed by X-Ray Diffraction (XRD) and Differential Scanning Calorimetery (DSC) techniques respectively. The material exhibits the good thermal stability and high value of glass transition temperature. The dielectric behavior has been studied in frequency range 50Hz-1MHz, using pallet method. The universal dielectric behaviour of amorphous semiconductors has been observed for the glass system. The compositional dependence of dielectric behavior has also been observed.

  1. Insights into thermal diffusion of germanium and oxygen atoms in HfO2/GeO2/Ge gate stacks and their suppressed reaction with atomically thin AlOx interlayers

    NASA Astrophysics Data System (ADS)

    Ogawa, Shingo; Asahara, Ryohei; Minoura, Yuya; Sako, Hideki; Kawasaki, Naohiko; Yamada, Ichiko; Miyamoto, Takashi; Hosoi, Takuji; Shimura, Takayoshi; Watanabe, Heiji

    2015-12-01

    The thermal diffusion of germanium and oxygen atoms in HfO2/GeO2/Ge gate stacks was comprehensively evaluated by x-ray photoelectron spectroscopy and secondary ion mass spectrometry combined with an isotopic labeling technique. It was found that 18O-tracers composing the GeO2 underlayers diffuse within the HfO2 overlayers based on Fick's law with the low activation energy of about 0.5 eV. Although out-diffusion of the germanium atoms through HfO2 also proceeded at the low temperatures of around 200 °C, the diffusing germanium atoms preferentially segregated on the HfO2 surfaces, and the reaction was further enhanced at high temperatures with the assistance of GeO desorption. A technique to insert atomically thin AlOx interlayers between the HfO2 and GeO2 layers was proven to effectively suppress both of these independent germanium and oxygen intermixing reactions in the gate stacks.

  2. Insights into thermal diffusion of germanium and oxygen atoms in HfO{sub 2}/GeO{sub 2}/Ge gate stacks and their suppressed reaction with atomically thin AlO{sub x} interlayers

    SciTech Connect

    Ogawa, Shingo; Asahara, Ryohei; Minoura, Yuya; Hosoi, Takuji Shimura, Takayoshi; Watanabe, Heiji; Sako, Hideki; Kawasaki, Naohiko; Yamada, Ichiko; Miyamoto, Takashi

    2015-12-21

    The thermal diffusion of germanium and oxygen atoms in HfO{sub 2}/GeO{sub 2}/Ge gate stacks was comprehensively evaluated by x-ray photoelectron spectroscopy and secondary ion mass spectrometry combined with an isotopic labeling technique. It was found that {sup 18}O-tracers composing the GeO{sub 2} underlayers diffuse within the HfO{sub 2} overlayers based on Fick's law with the low activation energy of about 0.5 eV. Although out-diffusion of the germanium atoms through HfO{sub 2} also proceeded at the low temperatures of around 200 °C, the diffusing germanium atoms preferentially segregated on the HfO{sub 2} surfaces, and the reaction was further enhanced at high temperatures with the assistance of GeO desorption. A technique to insert atomically thin AlO{sub x} interlayers between the HfO{sub 2} and GeO{sub 2} layers was proven to effectively suppress both of these independent germanium and oxygen intermixing reactions in the gate stacks.

  3. C-H activation of cycloalkenes by dimetallynes (M = Ge, Sn) under ambient conditions.

    PubMed

    Summerscales, Owen T; Fettinger, James C; Power, Philip P

    2011-08-10

    Treatment of the dimetallynes Ar'EEAr' [E = Ge, Sn; Ar' = C(6)H(3)-2,6-(C(6)H(3)-2,6-iPr(2))(2)] with a cyclic olefin-cyclopentadiene (CpH), cyclopentene, 1,4-cyclohexadiene (CHD), or cyclohexene-showed that, with the exception of cyclohexene, they react readily, affording C-H activation at room temperature. Reaction of the digermyne and distannyne with CpH gave the cyclopentadienyl anion, which is bound in a π-fashion to a mononuclear group 14 element center, along with evolution of hydrogen gas. Unusually, the digermyne also reacted with cyclopentene to give the same dehydroaromatization product, formed from triple C-H activation/dehydrogenation. It also was found to react with CHD to give a mixture of (Ar'GeH)(2), benzene, and a new 7-germanorbornadiene species bound to a cyclohex-2-enyl fragment. PMID:21749107

  4. Structure and magnetism in strained Ge{sub 1-x-y}Sn{sub x}Mn{sub y} films grown on Ge(001) by low temperature molecular beam epitaxy

    SciTech Connect

    Prestat, E.; Barski, A.; Bellet-Amalric, E.; Morel, R.; Tainoff, D.; Jain, A.; Porret, C.; Bayle-Guillemaud, P.; Jamet, M.; Jacquot, J.-F.

    2013-07-01

    In this letter, we study the structural and magnetic properties of Ge{sub 1-x-y}Sn{sub x}Mn{sub y} films grown on Ge(001) by low temperature molecular beam epitaxy using X-ray diffraction, high resolution transmission electron microscopy, and superconducting quantum interference device. Like in Mn doped Ge films, Mn atoms diffuse during the growth and aggregate into vertically aligned Mn-rich nanocolumns of a few nanometers in diameter. Transmission electron microscopy observations in plane view clearly indicate that the Sn incorporation is not uniform with concentration in Mn rich vertical nanocolumns lower than the detection limit of electron energy loss spectroscopy. The matrix exhibits a GeSn solid solution while there is a Sn-rich GeSn shell around GeMn nanocolumns. The magnetization in Ge{sub 1-x-y}Sn{sub x}Mn{sub y} layers is higher than in Ge{sub 1-x}Mn{sub x} films. This magnetic moment enhancement in Ge{sub 1-x-y}Sn{sub x}Mn{sub y} is probably related to the modification of the electronic structure of Mn atoms in the nanocolumns by the Sn-rich shell, which is formed around the nanocolumns.

  5. N-MOSFETs Formed on Solid Phase Epitaxially Grown GeSn Film with Passivation by Oxygen Plasma Featuring High Mobility.

    PubMed

    Fang, Yung-Chin; Chen, Kuen-Yi; Hsieh, Ching-Heng; Su, Chang-Chia; Wu, Yung-Hsien

    2015-12-01

    Solid phase epitaxially grown GeSn was employed as the platform to assess the eligibility of direct O2 plasma treatment on GeSn surface for passivation of GeSn N-MOSFETs. It has been confirmed that O2 plasma treatment forms a GeSnO(x) film on the surface and the GeSnO(x) topped by in situ Al2O3 constitutes the gate stack of GeSn MOS devices. The capability of the surface passivation was evidenced by the low interface trap density (D(it)) of 1.62 × 10(11) cm(-2) eV(-1), which is primarily due to the formation of Ge-O and Sn-O bonds at the surface by high density/reactivity oxygen radicals that effectively suppress dangling bonds and decrease gap states. The good D(it) not only makes tiny frequency dispersion in the characterization of GeSn MOS capacitors, but results in GeSn N-MOSFETs with outstanding peak electron mobility as high as 518 cm(2)/(V s) which outperforms other devices reported in the literature due to reduced undesirable carrier scattering. In addition, the GeSn N-MOSFETs also exhibit promising characteristics in terms of acceptable subthreshold swing of 156 mV/dec and relatively large I(ON)/I(OFF) ratio more than 4 orders. Moreover, the robust reliability in terms small V(t) variation against high field stress attests the feasibility of using the O2 plasma-treated passivation to advanced GeSn technology.

  6. Ab initio phonon properties of half-Heusler NiTiSn, NiZrSn and NiHfSn.

    PubMed

    Andrea, Luc; Hug, Gilles; Chaput, Laurent

    2015-10-28

    A theoretical investigation of phonon properties from first-principles calculations is carried out for the half-Heusler compounds NiXSn, [Formula: see text], Zr and Hf. The crystal structures are optimised via ab initio calculations within the framework of density functional theory. The phonon properties are retrieved from harmonic and anharmonic interatomic force constants calculations using the finite size displacements method and many-body perturbation theory. A solution to the linearized phonon Boltzmann transport equation is then used to compute the ab initio thermal conductivities. For X   =   Ti, Zr and Hf, we found 15.4, 13.3 and 15.8 W m(-1) K(-1) at 300 K, respectively. Thanks to a spectral analysis of the velocities and lifetimes we were able appreciate the differences in the thermal conductivities between the three compounds under study. Our results provide insights to understand the behaviour of the thermal conductivity and therefore to improve the thermoelectric figure of merit for such materials.

  7. Simulation investigation of tensile strained GeSn fin photodetector with Si(3)N(4) liner stressor for extension of absorption wavelength.

    PubMed

    Zhang, Qingfang; Liu, Yan; Yan, Jing; Zhang, Chunfu; Hao, Yue; Han, Genquan

    2015-01-26

    In this paper, we design a biaxial tensile strained GeSn photodetector with fin structure wrapped in Si(3)N(4) liner stressor. A large biaxial tensile strain is induced in GeSn fins by the expansion of Si(3)N(4) liner stressor. The distribution of tensile strain in GeSn fins was calculated by a finite element simulation. It is observed that magnitude of the strain increases with the reduction of fin thickness T(fin). Under the biaxial tensile strain, the direct band gap E(G,Γ) of GeSn fin photodetector is significantly reduced by lowering Γ conduction valley in energy and lifting of degeneracy of valence bands. As the 30 nm Si(3)N(4) liner stressor expanses by 1%, a E(G,Γ) reduction of ~0.14 eV is achieved in Ge(0.92)Sn(0.08) fins with a T(fin) of 100 nm. The cut-off wavelengths of strained Ge(0.96)Sn(0.04), Ge(0.92)Sn(0.08) and Ge(0.90)Sn(0.10) fin photodetectors with a T(fin) of 100 nm are extended to 2.4, 3.3, and 4 μm, respectively. GeSn fin photodetector integrated with Si(3)N(4) liner stressor provides an effective technique for extending the absorption edge of GeSn with Sn composition less than 10% to mid-infrared wavelength.

  8. Production of the 178m2Hf isomer using a 4.5-GeV electron accelerator

    NASA Astrophysics Data System (ADS)

    Karamian, S. A.; Carroll, J. J.; Adam, J.; Demekhina, N. A.

    2004-09-01

    High-productivity methods are required for the accumulation of long-lived isomers in amounts that are sufficient for the creation of experimental targets. A tantalum sample was activated with the Yerevan synchrotron using 4.5-GeV bremsstrahlung and the presence of 178m2Hf was detected with good statistical accuracy by γ-activity measurements. The integrated and mean cross-section values were deduced from the experiment. The isomer-to-ground-state ratio was then estimated and compared with that known for the p+ Ta reaction studied at 660 MeV. In the present experiment, both converter and target were relatively thin for better definition of the experimental conditions. However, an assembly designed for high-productivity irradiations should be thick and then the converter can also serve as the target sample when irradiated with a high-energy electron beam. The optimization of the isomer production was solved analytically and the largest estimated yield was determined as calibrated to the experimental yield. The maximum yield of 178m2Hf was found to be of about 3×109 nuclei/s using an electron beam current of 100 μA. This is lower than the yield achieved with proton beams, although for a practical comparison the total cost and radiation safety conditions should be considered. The present results provide a basis for numerical estimations.

  9. Effect of hafnium doping on density of states in dual-target magnetron co-sputtering HfZnSnO thin film transistors

    SciTech Connect

    Huang, Chuan-Xin; Li, Jun Fu, Yi-Zhou; Jiang, Xue-Yin; Zhang, Jian-Hua; Zhang, Zhi-Lin

    2015-11-23

    This study investigates the effect of hafnium doping on the density of states (DOSs) in HfZnSnO thin film transistors fabricated by dual-target magnetron co-sputtering system. The DOSs is extracted by temperature-dependent field-effect measurements, and they decrease from 1.1 × 10{sup 17} to 4.6 × 10{sup 16 }eV/cm{sup 3} with increasing the hafnium concentrations. The behavior of DOSs for the increasing hafnium concentration HfZnSnO thin film transistors can be confirmed by both the reduction of ΔV{sub T} under bias stress and the trapping charges calculated by capacitance voltage measurements. It suggests that the reduction in DOSs due to the hafnium doping is closely related with the bias stability and thermal stability.

  10. Formation of nanocrystalline GeSn thin film on Si substrate by sputtering and rapid thermal annealing

    NASA Astrophysics Data System (ADS)

    Mahmodi, H.; Hashim, M. R.; Hashim, U.

    2016-10-01

    Nanocrystalline Ge1-xSnx thin films have been formed after rapid thermal annealing of sputtered GeSn layers. The alloy films were deposited onto the Silicon (100) substrate via low cost radio frequency magnetron sputtering. Then, the films were annealed by rapid thermal annealing at 350 °C, 400 °C, and 450 °C for 10 s. The morphological, structural, and optical properties of the layers were investigated with field emission scanning electron microscopy (FESEM), Energy-dispersive X-ray spectroscopy (EDX), Raman spectroscopy, and high-resolution X-ray diffraction (HR-XRD). The Raman analysis showed that the only observed phonon mode is attributed to Ge-Ge vibrations. Raman phonon intensities of GeSn thin films were enhanced with increasing the annealing temperature. The results clearly revealed that by increasing the annealing temperature the crystalline quality of the films were improved. The XRD measurements revealed the nanocrystalline phase formation in the annealed films with (111) preferred orientation. The results showed the potentiality of using the sputtering technique and rapid thermal anneal to produce crystalline GeSn layer.

  11. Atomic layer deposition of Al{sub 2}O{sub 3} on germanium-tin (GeSn) and impact of wet chemical surface pre-treatment

    SciTech Connect

    Gupta, Suyog Chen, Robert; Harris, James S.; Saraswat, Krishna C.

    2013-12-09

    GeSn is quickly emerging as a potential candidate for high performance Si-compatible transistor technology. Fabrication of high-ĸ gate stacks on GeSn with good interface properties is essential for realizing high performance field effect transistors based on this material system. We demonstrate an effective surface passivation scheme for n-Ge{sub 0.97}Sn{sub 0.03} alloy using atomic layer deposition (ALD) of Al{sub 2}O{sub 3}. The effect of pre-ALD wet chemical surface treatment is analyzed and shown to be critical in obtaining a good quality interface between GeSn and Al{sub 2}O{sub 3}. Using proper surface pre-treatment, mid-gap trap density for the Al{sub 2}O{sub 3}/GeSn interface of the order of 10{sup 12} cm{sup −2} has been achieved.

  12. Distribution of impurity states and charge transport in Zr0.25Hf0.75Ni1+xSn1-ySby nanocomposites

    NASA Astrophysics Data System (ADS)

    Liu, Yuanfeng; Makongo, Julien P. A.; Page, Alexander; Sahoo, Pranati; Uher, Ctirad; Stokes, Kevin; Poudeu, Pierre F. P.

    2016-02-01

    Energy filtering of charge carriers in a semiconducting matrix using atomically coherent nanostructures can lead to a significant improvement of the thermoelectric figure of merit of the resulting composite. In this work, several half-Heusler/full-Heusler (HH/FH) nanocomposites with general compositions Zr0.25Hf0.75Ni1+xSn1-ySby (0≤x≤0.15 and y=0.005, 0.01 and 0.025) were synthesized in order to investigate the behavior of extrinsic carriers at the HH/FH interfaces. Electronic transport data showed that energy filtering of carriers at the HH/FH interfaces in Zr0.25Hf0.75Ni1+xSn1-ySby samples strongly depends on the doping level (y value) as well as the energy levels occupied by impurity states in the samples. For example, it was found that carrier filtering at HH/FH interfaces is negligible in Zr0.25Hf0.75Ni1+xSn1-ySby (y=0.01 and 0.025) composites where donor states originating from Sb dopant dominate electronic conduction. However, we observed a drastic decrease in the effective carrier density upon introduction of HH/FH interfaces for the mechanically alloyed Zr0.25Hf0.75Ni1+xSn0.995Sb0.005 samples where donor states from unintentional Fe impurities contribute the largest fraction of conduction electrons. This work demonstrates the ability to synergistically integrate the concepts of doping and energy filtering through nanostructuring for the optimization of electronic transport in semiconductors.

  13. Composition-driven phase boundary and electrical properties in (Ba₀.₉₄Ca₀.₀₆)(Ti₁-xMx)O₃ (M = Sn, Hf, Zr) lead-free ceramics.

    PubMed

    Zhao, Chunlin; Wang, Hui; Xiong, Jie; Wu, Jiagang

    2016-04-21

    In this study, we systematically investigated the composition dependence of the phase structure, microstructure, and electrical properties of (Ba0.94Ca0.06)(Ti1-xMx)O3 (M = Sn, Hf, Zr) ceramics synthesised by the conventional solid-state reaction method. The phase boundary type strongly depends on the composition, and then different electrical properties were exhibited. The addition of Hf and Zr can more quickly shift phase transition temperatures (TR-O and TO-T) to a higher temperature with respect to Sn, leading to the formation of different phase boundaries. In addition, different phase boundaries can also be affected by their doped contents. The R-O and O-T phase boundaries can be shown in the Sn-doped ceramics with x = 0.10, and the R-O phase boundary can exist in the Hf (x = 0.07) or Zr (x = 0.075)-doped ceramics. A high piezoelectric property of d33 = 600 pC N(-1) can be achieved in the Sn-doped ceramics due to the involvement of converging R-O/O-T phase boundaries, an enhanced ferroelectric performance with Pr = 14.54 μC cm(-2) and Ec = 1.82 kV cm(-1) can be attained in the Zr-doped ceramics, and Hf would benefit from obtaining a large strain behaviour (∼0.20%). We believe that the electrical properties and the related physical mechanisms of BaTiO3-based ceramics can be well unveiled by studying their chemical modification behavior. PMID:26952807

  14. Structural defect generation and band-structure features in the HfNi{sub 1−x}Co{sub x}Sn semiconductor

    SciTech Connect

    Romaka, V. A.; Rogl, P.; Romaka, V. V.; Stadnyk, Yu. V.; Krayovskyy, V. Ya.; Kaczorowski, D.; Nakonechnyy, I. N.; Goryn, A. M.

    2015-08-15

    The crystal and electronic structure and magnetic, energy, and kinetic properties of the n-HfNiSn semiconductor heavily doped with the Co acceptor impurity (HfNi{sub 1−x}Co{sub x}Sn) are investigated in the temperature and Co concentration ranges T = 80–400 K and N{sub A}{sup Co} ≈ 9.5 × 10{sup 19}-5.7 × 10{sup 21} cm{sup −3} (x = 0.005–0.30), respectively, and under magnetic field H ≤ 10 kOe. It is established that the degree of compensation of the semiconductor changes due to transformation of the crystal structure upon doping, which leads to the generation of acceptor and donor structural defects. The calculated electronic structure is consistent with the experiment; the HfNi{sub 1−x}Co{sub x}Sn semiconductor is shown to be a promising thermoelectric material. The results obtained are discussed within the Shklovsky-Efros model for a heavily doped and compensated semiconductor.

  15. Hyperfine magnetic field on Cd-111 in Heusler alloys Co2MnZ (Z = Si, Ga, Ge, Sn)

    NASA Technical Reports Server (NTRS)

    Jha, S.; Mitros, C.; Lahamer, Amer; Yehia, Sherif; Julian, Glenn M.

    1989-01-01

    The time differential perturbed angular correlation method has been used to measure, as a function of temperature, the hyperfine magnetic field at Cd sites in the Heusler alloys Co2MnZ (Z = Si, Ga, Ge, Sn). The hyperfine fields, normalized to the total magnetic moment per formula unit, show an approximately linear trend toward more positive values with increasing lattice parameter.

  16. Infrared Polarizer Fabrication by Imprinting on Sb-Ge-Sn-S Chalcogenide Glass

    NASA Astrophysics Data System (ADS)

    Yamada, Itsunari; Yamashita, Naoto; Tani, Kunihiko; Einishi, Toshihiko; Saito, Mitsunori; Fukumi, Kouhei; Nishii, Junji

    2012-01-01

    We fabricated infrared wire-grid polarizers consisting of a 500-nm pitch Al grating on a low toxic chalcogenide glass (Sb-Ge-Sn-S system) using the direct imprinting of subwavelength grating followed by a deposition of Al metal by thermal evaporation. To fabricate the subwavelength grating on a chalcogenide glass more easily, the sharp grating was formed on the mold surface. The fabricated polarizer with Al thickness of 130 nm exhibited a polarization function with a transverse magnetic transmittance greater than 60% in the 5-9 µm wavelength range, and an extinction ratio greater than 20 dB in 3.5-11 µm wavelength range. The extinction ratio of the element with Al wires of 180-nm thickness reached 27 dB at 5.4-µm wavelength. The polarizer can be fabricated at lower costs and simpler fabrication processes compared to conventional infrared polarizers.

  17. Disorder-induced enhancement of indirect absorption in a GeSn photodetector grown by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Li, H.; Chang, C.; Cheng, H. H.; Sun, G.; Soref, R. A.

    2016-05-01

    We report an investigation on the absorption mechanism of a GeSn photodetector with 2.4% Sn composition in the active region. Responsivity is measured and absorption coefficient is calculated. Square root of absorption coefficient linearly depends on photon energy indicating an indirect transition. However, the absorption coefficient is found to be at least one order of magnitude higher than that of most other indirect materials, suggesting that the indirect optical absorption transition cannot be assisted only by phonon. Our analysis of absorption measurements by other groups on the same material system showed the values of absorption coefficient on the same order of magnitude. Our study reveals that the strong enhancement of absorption for the indirect optical transition is the result of alloy disorder from the incorporation of the much larger Sn atoms into the Ge lattice that are randomly distributed.

  18. Synthetic access to a hydrocarbon-soluble trifluorinated Ge(II) compound and its Sn(II) congener.

    PubMed

    Samuel, Prinson P; Li, Yan; Roesky, Herbert W; Chevelkov, Veniamin; Lange, Adam; Burkhardt, Anja; Dittrich, Birger

    2014-01-29

    Trifluorinated germanium anions attracted attention of theoretical chemists already in the late 1990s to predict their physical and chemical properties. However these species were not synthesized in the laboratory, although substantial evidence for their existence was obtained from the mass spectrometry of GeF4. The present study shows that controlled fluorination of LMNMe2 (L = PhC(N(t)Bu)2, M = Ge, Sn) using HF·pyridine in toluene leads to the formation of [LH2](+)[MF3](-) under elimination of HNMe2. The products contain the trifluorinated Ge(II) and Sn(II) anionic species which are stabilized by interionic H···F bonds. The new compounds were characterized by single crystal X-ray structural analysis, NMR spectroscopy, and elemental analysis. PMID:24433048

  19. The impact of ultrathin Al2O3 films on the electrical response of p-Ge/Al2O3/HfO2/Au MOS structures

    NASA Astrophysics Data System (ADS)

    Botzakaki, M. A.; Skoulatakis, G.; Kennou, S.; Ladas, S.; Tsamis, C.; Georga, S. N.; Krontiras, C. A.

    2016-09-01

    It is well known that the most critical issue in Ge CMOS technology is the successful growth of high-k gate dielectrics on Ge substrates. The high interface quality of Ge/high-k dielectric is connected with advanced electrical responses of Ge based MOS devices. Following this trend, atomic layer deposition deposited ultrathin Al2O3 and HfO2 films were grown on p-Ge. Al2O3 acts as a passivation layer between p-Ge and high-k HfO2 films. An extensive set of p-Ge/Al2O3/HfO2 structures were fabricated with Al2O3 thickness ranging from 0.5 nm to 1.5 nm and HfO2 thickness varying from 2.0 nm to 3.0 nm. All structures were characterized by x-ray photoelectron spectroscopy (XPS) and AFM. XPS analysis revealed the stoichiometric growth of both films in the absence of Ge sub-oxides between p-Ge and Al2O3 films. AFM analysis revealed the growth of smooth and cohesive films, which exhibited minimal roughness (~0.2 nm) comparable to that of clean bare p-Ge surfaces. The electrical response of all structures was analyzed by C-V, G-V, C-f, G-f and J-V characteristics, from 80 K to 300 K. It is found that the incorporation of ultrathin Al2O3 passivation layers between p-Ge and HfO2 films leads to superior electrical responses of the structures. All structures exhibit well defined C-V curves with parasitic effects, gradually diminishing and becoming absent below 170 K. D it values were calculated at each temperature, using both Hill-Coleman and Conductance methods. Structures of p-Ge/0.5 nm Al2O3/2.0 nm HfO2/Au, with an equivalent oxide thickness (EOT) equal to 1.3 nm, exhibit D it values as low as ~7.4  ×  1010 eV-1 cm-2. To our knowledge, these values are among the lowest reported. J-V measurements reveal leakage currents in the order of 10-1 A cm-2, which are comparable to previously published results for structures with the same EOT. A complete mapping of the energy distribution of D its into the energy bandgap of p-Ge, from the valence band

  20. The impact of ultrathin Al2O3 films on the electrical response of p-Ge/Al2O3/HfO2/Au MOS structures

    NASA Astrophysics Data System (ADS)

    Botzakaki, M. A.; Skoulatakis, G.; Kennou, S.; Ladas, S.; Tsamis, C.; Georga, S. N.; Krontiras, C. A.

    2016-09-01

    It is well known that the most critical issue in Ge CMOS technology is the successful growth of high-k gate dielectrics on Ge substrates. The high interface quality of Ge/high-k dielectric is connected with advanced electrical responses of Ge based MOS devices. Following this trend, atomic layer deposition deposited ultrathin Al2O3 and HfO2 films were grown on p-Ge. Al2O3 acts as a passivation layer between p-Ge and high-k HfO2 films. An extensive set of p-Ge/Al2O3/HfO2 structures were fabricated with Al2O3 thickness ranging from 0.5 nm to 1.5 nm and HfO2 thickness varying from 2.0 nm to 3.0 nm. All structures were characterized by x-ray photoelectron spectroscopy (XPS) and AFM. XPS analysis revealed the stoichiometric growth of both films in the absence of Ge sub-oxides between p-Ge and Al2O3 films. AFM analysis revealed the growth of smooth and cohesive films, which exhibited minimal roughness (~0.2 nm) comparable to that of clean bare p-Ge surfaces. The electrical response of all structures was analyzed by C–V, G–V, C–f, G–f and J–V characteristics, from 80 K to 300 K. It is found that the incorporation of ultrathin Al2O3 passivation layers between p-Ge and HfO2 films leads to superior electrical responses of the structures. All structures exhibit well defined C–V curves with parasitic effects, gradually diminishing and becoming absent below 170 K. D it values were calculated at each temperature, using both Hill–Coleman and Conductance methods. Structures of p-Ge/0.5 nm Al2O3/2.0 nm HfO2/Au, with an equivalent oxide thickness (EOT) equal to 1.3 nm, exhibit D it values as low as ~7.4  ×  1010 eV‑1 cm‑2. To our knowledge, these values are among the lowest reported. J–V measurements reveal leakage currents in the order of 10–1 A cm‑2, which are comparable to previously published results for structures with the same EOT. A complete mapping of the energy distribution of D its into the energy bandgap of p-Ge, from

  1. Critical thickness for strain relaxation of Ge{sub 1−x}Sn{sub x} (x ≤ 0.17) grown by molecular beam epitaxy on Ge(001)

    SciTech Connect

    Wang, Wei; Zhou, Qian; Dong, Yuan; Yeo, Yee-Chia; Tok, Eng Soon

    2015-06-08

    We investigated the critical thickness (h{sub c}) for plastic relaxation of Ge{sub 1−x}Sn{sub x} grown by molecular beam epitaxy. Ge{sub 1−x}Sn{sub x} films with various Sn mole fraction x (x ≤ 0.17) and different thicknesses were grown on Ge(001). The strain relaxation of Ge{sub 1−x}Sn{sub x} films and the h{sub c} were investigated by high-resolution x-ray diffraction and reciprocal space mapping. It demonstrates that the measured h{sub c} values of Ge{sub 1−x}Sn{sub x} layers are as much as an order of magnitude larger than that predicted by the Matthews and Blakeslee (M-B) model. The People and Bean (P-B) model was also used to predict the h{sub c} values in Ge{sub 1−x}Sn{sub x}/Ge system. The measured h{sub c} values for various Sn content follow the trend, but slightly larger than that predicted by the P-B model.

  2. Ge{sub 1−x−y}Si{sub x}Sn{sub y} light emitting diodes on silicon for mid-infrared photonic applications

    SciTech Connect

    Gallagher, J. D.; Xu, C.; Menéndez, J.; Senaratne, C. L.; Wallace, P. M.; Kouvetakis, J.; Aoki, T.

    2015-10-07

    This paper reports initial the demonstration of prototype Ge{sub 1−x−y}Si{sub x}Sn{sub y} light emitting diodes with distinct direct and indirect edges and high quality I-V characteristics. The devices are fabricated on Si (100) wafers in heterostructure pin geometry [n-Ge/i-Ge{sub 1−x−y}Si{sub x}Sn{sub y}/p-Ge(Sn/Si)] using ultra low-temperature (T < 300 °C) depositions of the highly reactive chemical sources Si{sub 4}H{sub 10}, Ge{sub 4}H{sub 10}, Ge{sub 3}H{sub 8}, and SnD{sub 4}. The Sn content in the i-Ge{sub 1−x−y}Si{sub x}Sn{sub y} layer was varied from ∼3.5% to 11%, while the Si content was kept constant near 3%. The Si/Sn amounts in the p-layer were selected to mitigate the lattice mismatch so that the top interface grows defect-free, thereby reducing the deleterious effects of mismatch-induced dislocations on the optical/electrical properties. The spectral responsivity plots of the devices reveal sharp and well-defined absorption edges that systematically red-shift in the mid-IR from 1750 to 2100 nm with increasing Sn content from 3.5% to 11%. The electroluminescence spectra reveal strong direct-gap emission peaks and weak lower energy shoulders attributed to indirect gaps. Both peaks in a given spectrum red-shift with increasing Sn content and their separation decreases as the material approaches direct gap conditions in analogy with binary Ge{sub 1−y}Sn{sub y} counterparts. These findings-combined with the enhanced thermal stability of Ge{sub 1−x−y}Si{sub x}Sn{sub y} relative to Ge{sub 1−y}Sn{sub y} and the observation that ternary alloy disorder does not adversely affect the emission properties—indicate that Ge{sub 1−x−y}Si{sub x}Sn{sub y} may represent a practical target system for future generations of group-IV light sources on Si.

  3. Germylenes and stannylenes stabilized within N2PE rings (E = Ge or Sn): combined experimental and theoretical study.

    PubMed

    Vrána, Jan; Ketkov, Sergey; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; Dostál, Libor

    2016-06-21

    The deprotonation of aminophosphanes PhP(NHR)2 (R = t-Bu or Dip; Dip = 2,6-i-Pr2C6H3) and t-BuP(NHDip)2 using n-BuLi gave, depending on the stoichiometry, both the dilithium compounds {[PhP(Nt-Bu)2]Li2}2 (), [PhP(Nt-Bu)(NDip)]Li2·(Et2O) (), [t-BuP(NDip)2]Li2·(Et2O)2 () and [t-BuP(NDip)2]Li2·(tmeda)2 (), and the monolithium compounds [PhP(NHt-Bu)(NR)]Li·(tmeda) (R = t-Bu , Dip ) and [t-BuP(NHDip)(NDip)]Li·(tmeda) (). Treatment of , and with GeCl2·dioxane or SnCl2 in a 1 : 1 stoichiometric ratio gave the corresponding tetrylenes [PhP(Nt-Bu)2]E (E = Ge , Sn ), [PhP(Nt-Bu)(NDip)]Ge () and [t-BuP(NDip)2]E (E = Ge , Sn ). The heteroleptic germylene [Ph(H)P(Nt-Bu)2]GeCl () was obtained by the reaction of the monolithium compound [PhP(NHt-Bu)(Nt-Bu)]Li·(tmeda) () with GeCl2·dioxane in a 1 : 1 stoichiometric ratio, as a result of a spontaneous NH → PH tautomeric shift in the ligand backbone. In contrast, an analogous reaction with SnCl2 produced only stannylene along with the PhP(NHt-Bu)2 starting material, suggesting scrambling of the ligands rather than a NH → PH tautomeric shift. Finally, heating in solution led to P-C bond cleavage and formation of the bis(imino)phosphide [DipNPNDip]Li·(tmeda) (). The reaction of with GeCl2·dioxane, SnCl2 or PbCl2 in a 2 : 1 stoichiometric ratio yielded the unprecedented tetrylenes [DipNPNDip]2E (E = Ge , Sn and Pb ), in which the tetrylene center is incorporated within two N2PE rings. Treatment of the monolithium compound with n-BuLi and K (or KC8) gave [t-BuNPNt-Bu]Li·(tmeda) () and{[t-BuNPNt-Bu]K(tmeda)}2 (), respectively. In contrast to the reaction with , similar reactions of with GeCl2·dioxane and SnCl2 resulted in the known compounds cis-[P(μ-Nt-Bu)2P(t-BuN)2]E (E = Ge, Sn); evidently the t-Bu groups do not provide sufficient steric shielding to protect the bis(imino)phosphide backbone as in the case of . The bonding situation in a set of selected compounds (, ) has been subjected to a theoretical

  4. Germylenes and stannylenes stabilized within N2PE rings (E = Ge or Sn): combined experimental and theoretical study.

    PubMed

    Vrána, Jan; Ketkov, Sergey; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; Dostál, Libor

    2016-06-21

    The deprotonation of aminophosphanes PhP(NHR)2 (R = t-Bu or Dip; Dip = 2,6-i-Pr2C6H3) and t-BuP(NHDip)2 using n-BuLi gave, depending on the stoichiometry, both the dilithium compounds {[PhP(Nt-Bu)2]Li2}2 (), [PhP(Nt-Bu)(NDip)]Li2·(Et2O) (), [t-BuP(NDip)2]Li2·(Et2O)2 () and [t-BuP(NDip)2]Li2·(tmeda)2 (), and the monolithium compounds [PhP(NHt-Bu)(NR)]Li·(tmeda) (R = t-Bu , Dip ) and [t-BuP(NHDip)(NDip)]Li·(tmeda) (). Treatment of , and with GeCl2·dioxane or SnCl2 in a 1 : 1 stoichiometric ratio gave the corresponding tetrylenes [PhP(Nt-Bu)2]E (E = Ge , Sn ), [PhP(Nt-Bu)(NDip)]Ge () and [t-BuP(NDip)2]E (E = Ge , Sn ). The heteroleptic germylene [Ph(H)P(Nt-Bu)2]GeCl () was obtained by the reaction of the monolithium compound [PhP(NHt-Bu)(Nt-Bu)]Li·(tmeda) () with GeCl2·dioxane in a 1 : 1 stoichiometric ratio, as a result of a spontaneous NH → PH tautomeric shift in the ligand backbone. In contrast, an analogous reaction with SnCl2 produced only stannylene along with the PhP(NHt-Bu)2 starting material, suggesting scrambling of the ligands rather than a NH → PH tautomeric shift. Finally, heating in solution led to P-C bond cleavage and formation of the bis(imino)phosphide [DipNPNDip]Li·(tmeda) (). The reaction of with GeCl2·dioxane, SnCl2 or PbCl2 in a 2 : 1 stoichiometric ratio yielded the unprecedented tetrylenes [DipNPNDip]2E (E = Ge , Sn and Pb ), in which the tetrylene center is incorporated within two N2PE rings. Treatment of the monolithium compound with n-BuLi and K (or KC8) gave [t-BuNPNt-Bu]Li·(tmeda) () and{[t-BuNPNt-Bu]K(tmeda)}2 (), respectively. In contrast to the reaction with , similar reactions of with GeCl2·dioxane and SnCl2 resulted in the known compounds cis-[P(μ-Nt-Bu)2P(t-BuN)2]E (E = Ge, Sn); evidently the t-Bu groups do not provide sufficient steric shielding to protect the bis(imino)phosphide backbone as in the case of . The bonding situation in a set of selected compounds (, ) has been subjected to a theoretical

  5. Band alignment at interfaces of amorphous Al{sub 2}O{sub 3} with Ge{sub 1−x}Sn{sub x}- and strained Ge-based channels

    SciTech Connect

    Chou, H.-Y.; Afanas'ev, V. V. Houssa, M.; Stesmans, A.; Vincent, B.; Gencarelli, F.; Shimura, Y.; Merckling, C.; Loo, R.; Nakatsuka, O.; Zaima, S.

    2014-05-19

    Spectroscopy of internal photoemission of electrons from Ge and Ge{sub 1−x}Sn{sub x} (x ≤ 0.08) alloys into amorphous Al{sub 2}O{sub 3} is used to evaluate the energy of the semiconductor valence band top. It is found that in Ge and Ge{sub 1−x}Sn{sub x} the valence bands are aligned within the measurement accuracy (±0.05 eV) irrespective of the strain imposed on the semiconductor or by the kind of passivating inter-layer applied between the semiconductor and alumina. This indicates that the Ge{sub 1−x}Sn{sub x}-stressor approach may be useful for strain engineering in p-channel Ge metal-oxide-semiconductor transistors.

  6. An infrared study of thin-film formation on Si and Ge surfaces treated with aqueous NH4F and HF

    NASA Astrophysics Data System (ADS)

    Yota, J.; Burrows, V. A.

    1991-05-01

    The surface chemistry of Si and Ge after treatment with hydrofluoric acid buffered with ammonium fluoride (BHF) was studied using surface infrared spectroscopy. For each of these materials, the BHF not only dissolved the native oxide, but also deposited a thin inorganic film comprised of ammonium salts (NH4F and NH4F.HF). Through one or more complex reactions with the substrate, these salts slowly disappear as the thermodynamically very stable hexafluorometallate compounds [(NH4)2SiF6 and (NH4)2GeF6] form. The NH4F.HF disappearance correlates directly with the hexafluorometallate formation. Though the original fluoride and bifluoride salts are quite soluble in alcohols as well as in aqueous solutions, the hexafluorometallates are completely insoluble in alcohols, and can only be removed by thorough water rinse.

  7. Catalyst engineering for lithium ion batteries: the catalytic role of Ge in enhancing the electrochemical performance of SnO2(GeO2)0.13/G anodes.

    PubMed

    Zhu, Yun Guang; Wang, Ye; Han, Zhao Jun; Shi, Yumeng; Wong, Jen It; Huang, Zhi Xiang; Ostrikov, Kostya Ken; Yang, Hui Ying

    2014-12-21

    The catalytic role of germanium (Ge) was investigated to improve the electrochemical performance of tin dioxide grown on graphene (SnO(2)/G) nanocomposites as an anode material of lithium ion batteries (LIBs). Germanium dioxide (GeO(20) and SnO(2) nanoparticles (<10 nm) were uniformly anchored on the graphene sheets via a simple single-step hydrothermal method. The synthesized SnO(2)(GeO(2))0.13/G nanocomposites can deliver a capacity of 1200 mA h g(-1) at a current density of 100 mA g(-1), which is much higher than the traditional theoretical specific capacity of such nanocomposites (∼ 702 mA h g(-1)). More importantly, the SnO(2)(GeO(2))0.13/G nanocomposites exhibited an improved rate, large current capability (885 mA h g(-1) at a discharge current of 2000 mA g(-1)) and excellent long cycling stability (almost 100% retention after 600 cycles). The enhanced electrochemical performance was attributed to the catalytic effect of Ge, which enabled the reversible reaction of metals (Sn and Ge) to metals oxide (SnO(2) and GeO(2)) during the charge/discharge processes. Our demonstrated approach towards nanocomposite catalyst engineering opens new avenues for next-generation high-performance rechargeable Li-ion batteries anode materials. PMID:25367289

  8. Enhanced thermoelectric performance in the p-type half-Heusler (Ti/Zr/Hf)CoSb0.8Sn0.2 system via phase separation.

    PubMed

    Rausch, Elisabeth; Balke, Benjamin; Ouardi, Siham; Felser, Claudia

    2014-12-14

    A novel approach for optimization of the thermoelectric properties of p-type Heusler compounds with a C1b structure was investigated. A successful recipe for achieving intrinsic phase separation in the n-type material based on the TiNiSn system is isoelectronic partial substitution of Ti with its heavier homologues Zr and Hf. We applied this concept to the p-type system MCoSb0.8Sn0.2 by a systematic investigation of samples with different compositions at the Ti position (M = Ti, Zr, Hf, Ti0.5Zr0.5, Zr0.5Hf0.5, and Ti0.5Hf0.5). We thus achieved an approximately 40% reduction of the thermal conductivity and a maximum figure of merit ZT of 0.9 at 700 °C. This is a 80% improvement in peak ZT from 0.5 to 0.9 at 700 °C compared to the best published value of an ingot p-type half-Heusler compound. Thus far, comparable good thermoelectric p-type materials of this structure type have only been realized by a nanostructuring process via ball milling of premelted ingot samples followed by a rapid consolidation method, like hot pressing. The herein-presented simple arc-melting fabrication method reduces the fabrication time as compared to this multi-step nanostructuring process. The high mechanical stability of the Heusler compounds is favorable for the construction of thermoelectric modules. The Vickers hardness values are close to those of the n-type material, leading to good co-processability of both materials.

  9. Electronic structures and magnetism of Rh3Z (Z=Al, Ga, In, Si, Ge, Sn, Pb, Sb) with DO3 structures

    NASA Astrophysics Data System (ADS)

    Wang, X. T.; Dai, X. F.; Wang, L. Y.; Liu, X. F.; Wang, W. H.; Wu, G. H.; Tang, C. C.; Liu, G. D.

    2015-03-01

    We investigate the electronic structures and magnetism of Rh3Z (Z=Al, Ga, In, Si, Ge, Sn, Pb, Sb) with a DO3 structure using the first-principle calculations. The Rh3Z (Z=Si, Ge, Sn, Pb) alloys have been predicted to be half-metallic ferromagnets at their equilibrium lattice parameters. The half-metallicity of Rh3Z (Z=Si, Ge, Sn, Pb) alloys can be kept in a quite large hydrostatic strain and tetragonal distortion. The magnetic properties are discussed. The Rh3Z (Z=Si, Ge, Sn, Pb) alloys do not follow the Mt=Zt-24 rule but instead of following the Mt=Zt-28 rule (Mt is the total magnetic moment per unit cell and Zt is the valence concentration). Moreover, all the alloys investigated in this paper have a negative formation energy, which implies that they are possible to be synthesized in reality.

  10. Local Structure of As_xGe_xSe_1-2x glasses and ^119 Sn Mossbauer

    NASA Astrophysics Data System (ADS)

    Wang, Y.; Karki, B.; Qu, T.; Boolchand, P.

    2001-03-01

    The T_g(r) variation in the titled ternary shows a monotonic increase with r (= 2 + 3x, mean coordination number) , although in the Ge_xSe_1-x binary one observes a maximum^1 in T_g(r) near r = 2.67, i.e. at GeSe_2. We have now doped traces of _119Sn and examined Mossbauer spectra of the ternary glasses, and find evidence of a tetrahedral (A) site at low r (= 2.30) , and in addition a non-tetrahedral site (B) at high r (=2.68), as also found^1 in the Ge-Se binary .At r = 2.68, we observe a non-tetrahedral Sn- fraction I_B/(IA + I_B) = 0.56(1) at 4.2K, and = 0.51(1) at 78K, suggesting the near equivalence of the f-factors (fA = fB ) of these sites in the ternary. The result is in contrast to the widely different f-factors measured 1 for the A and B sites in GeSe2 glass. Taken together, one concludes that the Ge-Ge signatures (B-sites) form a part of the backbone in the ternary but are excluded from the backbone in the binary glass. This feature of local structure apparently provides an element of difference to understand the contrasting T_g(r) trends in the binary and ternary glasses. 1. P.Boolchand and W.J.Bresser Phil. Mag. B 80,1757(2000). Supported by NSF grant DMR 97-02189

  11. Low-temperature (˜180 °C) position-controlled lateral solid-phase crystallization of GeSn with laser-anneal seeding

    NASA Astrophysics Data System (ADS)

    Matsumura, Ryo; Chikita, Hironori; Kai, Yuki; Sadoh, Taizoh; Ikenoue, Hiroshi; Miyao, Masanobu

    2015-12-01

    To realize next-generation flexible thin-film devices, solid-phase crystallization (SPC) of amorphous germanium tin (GeSn) films on insulating substrates combined with seeds formed by laser annealing (LA) has been investigated. This technique enables the crystallization of GeSn at controlled positions at low temperature (˜180 °C) due to the determination of the starting points of crystallization by LA seeding and Sn-induced SPC enhancement. The GeSn crystals grown by SPC from LA seeds showed abnormal lateral profiles of substitutional Sn concentration. These lateral profiles are caused by the annealing time after crystallization being a function of distance from the LA seeds. This observation of a post-annealing effect also indicates that GeSn with a substitutional Sn concentration of up to ˜10% possesses high thermal stability. These results will facilitate the fabrication of next-generation thin-film devices on flexible plastic substrates with low softening temperatures (˜250 °C).

  12. Magnetic excitations in the triangular antiferromagnets Mn3Sn and Mn3Ge

    NASA Astrophysics Data System (ADS)

    Cable, J. W.; Wakabayashi, N.; Radhakrishna, P.

    1993-09-01

    Inelastic neutron scattering was used to study the magnetic excitations of the triangular antiferromagnets Mn3Sn and Mn3Ge. These compounds have itinerant d electrons and large magnetic moments localized at the Mn sites and may be regarded as materials that lie in the intermediate regime between local-moment and itinerant-electron systems. The spin-wave spectra exhibit steep dispersion and strong damping, which is characteristic behavior of itinerant-electron systems. Nevertheless, it is useful to analyze the data in terms of a local-moment model with anisotropy. We find the data are remarkably well described by this model with exchange parameters extending to fifth-nearest neighbors and with both axial- and basal-plane anisotropy. The axial-anisotropy parameters were determined from the uniform out-of-plane spin fluctuation, and the signs show that the spins are confined to the basal plane. The second-order basal-plane anisotropy constants were determined by satisfying both the magnitude of the weak basal-plane ferromagnetic moments and the observed splitting of a doubly degenerate acoustic-spin-wave branch. The sixth-order basal-plane anisotropy was determined by adjusting to the observed energy gap associated with spin fluctuations within the basal plane. The exchange parameters have the correct signs to stabilize the triangular antiferromagnetic structure but yield Néel temperatures that are higher than those observed by a factor of 3 or 4. This overestimation of the Néel temperature is not an uncommon result when a local moment model is applied to an itinerant-electron system.

  13. Ab initio quantum chemical studies of fullerene molecules with substitutes C59X [XSi, Ge, Sn], C59X- [XB, Al, Ga, In], and C59X [XN, P, As, Sb

    NASA Astrophysics Data System (ADS)

    Simeon, Tomekia M.; Yanov, Ilya; Leszczynski, Jerzy

    This article presents the results of systematic ab initio quantum chemical study of charged and neutral analogues of fullerene molecules: C59X[XSi, Ge, Sn], C59X- [XB, Al, Ga, In], and C59X+ [XN, P, As, Sb]. Hartree-Fock (HF) and density functional theory (DFT) levels of theory with Stuttgart-Dresden basis set were used to investigate the structure and properties of substituted fullerene molecules. A replacement of fullerene carbon atom with a heteroatom results in a unique chemical site on the fullerene surface, which may be used as a reactive center or to modify the electronic properties. We show the possibility of utilization of substituted fullerenes as atom-like building units. Heteroatom substitution allows the tuning of the physical and chemical properties of original molecule for different material science and nanotechnology applications.

  14. Enhanced carrier mobility and direct tunneling probability of biaxially strained Ge{sub 1−x}Sn{sub x} alloys for field-effect transistors applications

    SciTech Connect

    Liu, Lei; Liang, Renrong E-mail: junxu@tsinghua.edu.cn; Wang, Jing; Xu, Jun E-mail: junxu@tsinghua.edu.cn

    2015-05-14

    The carrier transport and tunneling capabilities of biaxially strained Ge{sub 1−x}Sn{sub x} alloys with (001), (110), and (111) orientations were comprehensively investigated and compared. The electron band structures of biaxially strained Ge{sub 1−x}Sn{sub x} alloys were calculated by the nonlocal empirical pseudopotential method and the modified virtual crystal approximation was adopted in the calculation. The electron and hole effective masses at the band edges were extracted using a parabolic line fit. It is shown that the applied biaxial strain and the high Sn composition are both helpful for the reduction of carrier effective masses, which leads to the enhanced carrier mobility and the boosted direct band-to-band-tunneling probability. Furthermore, the strain induced valance band splitting reduces the hole interband scattering, and the splitting also results in the significantly enhanced direct tunneling rate along the out-of-plane direction compared with that along the in-plane direction. The biaxially strained (111) Ge{sub 1−x}Sn{sub x} alloys exhibit the smallest band gaps compared with (001) and (110) orientations, leading to the highest in-plane and out-of-plane direct tunneling probabilities. The small effective masses on (110) and (111) planes in some strained conditions also contribute to the enhanced carrier mobility and tunneling probability. Therefore, the biaxially strained (110) and (111) Ge{sub 1−x}Sn{sub x} alloys have the potential to outperform the corresponding (001) Ge{sub 1−x}Sn{sub x} devices. It is important to optimize the applied biaxial strain, the Sn composition, and the substrate orientation for the design of high performance Ge{sub 1−x}Sn{sub x} field-effect transistors.

  15. Semiconducting ZnSn{sub x}Ge{sub 1−x}N{sub 2} alloys prepared by reactive radio-frequency sputtering

    SciTech Connect

    Shing, Amanda M.; Coronel, Naomi C.; Lewis, Nathan S.; Atwater, Harry A.

    2015-07-01

    We report on the fabrication and structural and optoelectronic characterization of II-IV-nitride ZnSn{sub x}Ge{sub 1−x}N{sub 2} thin-films. Three-target reactive radio-frequency sputtering was used to synthesize non-degenerately doped semiconducting alloys having <10% atomic composition (x = 0.025) of tin. These low-Sn alloys followed the structural and optoelectronic trends of the alloy series. Samples exhibited semiconducting properties, including optical band gaps and increasing in resistivities with temperature. Resistivity vs. temperature measurements indicated that low-Sn alloys were non-degenerately doped, whereas alloys with higher Sn content were degenerately doped. These films show potential for ZnSn{sub x}Ge{sub 1−x}N{sub 2} as tunable semiconductor absorbers for possible use in photovoltaics, light-emitting diodes, or optical sensors.

  16. n-type thermoelectric material Mg2Sn0.75Ge0.25 for high power generation

    PubMed Central

    Liu, Weishu; Kim, Hee Seok; Chen, Shuo; Jie, Qing; Lv, Bing; Yao, Mengliang; Ren, Zhensong; Opeil, Cyril P.; Wilson, Stephen; Chu, Ching-Wu; Ren, Zhifeng

    2015-01-01

    Thermoelectric power generation is one of the most promising techniques to use the huge amount of waste heat and solar energy. Traditionally, high thermoelectric figure-of-merit, ZT, has been the only parameter pursued for high conversion efficiency. Here, we emphasize that a high power factor (PF) is equivalently important for high power generation, in addition to high efficiency. A new n-type Mg2Sn-based material, Mg2Sn0.75Ge0.25, is a good example to meet the dual requirements in efficiency and output power. It was found that Mg2Sn0.75Ge0.25 has an average ZT of 0.9 and PF of 52 μW⋅cm−1⋅K−2 over the temperature range of 25–450 °C, a peak ZT of 1.4 at 450 °C, and peak PF of 55 μW⋅cm−1⋅K−2 at 350 °C. By using the energy balance of one-dimensional heat flow equation, leg efficiency and output power were calculated with Th = 400 °C and Tc = 50 °C to be of 10.5% and 6.6 W⋅cm−2 under a temperature gradient of 150 °C⋅mm−1, respectively. PMID:25733845

  17. In Situ Synchrotron Based X-ray Fluorescence and Scattering Measurements During Atomic Layer Deposition: Initial Growth of HfO2 on Si and Ge Substrates

    SciTech Connect

    K Devloo-Casier; J Dendooven; K Ludwig; G Lekens; J DHaen; C Detavernier

    2011-12-31

    The initial growth of HfO{sub 2} was studied by means of synchrotron based in situ x-ray fluorescence (XRF) and grazing incidence small angle x-ray scattering (GISAXS). HfO{sub 2} was deposited by atomic layer deposition (ALD) using tetrakis(ethylmethylamino)hafnium and H{sub 2}O on both oxidized and H-terminated Si and Ge surfaces. XRF quantifies the amount of deposited material during each ALD cycle and shows an inhibition period on H-terminated substrates. No inhibition period is observed on oxidized substrates. The evolution of film roughness was monitored using GISAXS. A correlation is found between the inhibition period and the onset of surface roughness.

  18. Non-radiative recombination in Ge{sub 1−y}Sn{sub y} light emitting diodes: The role of strain relaxation in tuned heterostructure designs

    SciTech Connect

    Gallagher, J. D.; Xu, C.; Smith, D. J.; Menéndez, J.; Senaratne, C. L.; Sims, P.; Kouvetakis, J.; Aoki, T.

    2015-06-28

    This paper describes the properties of Ge{sub 1−y}Sn{sub y} light emitting diodes with a broad range of Sn concentrations (y = 0.0–0.11). The devices are grown upon Si(100) platforms using ultra-low temperature deposition of highly reactive Ge and Sn hydrides. The device fabrication adopts two new photodiode designs which lead to optimized performance and enables a systematic study of the effects of strain relaxation on emission efficiency. In contrast with n-Ge/i-Ge{sub 1−y}Sn{sub y}/p-Ge analogs, which in most cases contain two defected interfaces, our designs include a p-layer with composition Ge{sub 1−z}Sn{sub z} chosen to be z < y to facilitate light extraction, but with z close enough to y to guarantee no strain relaxation at the i/p interface. In addition, a Ge{sub 1−x}Sn{sub x} alloy is also used for the n layer, with compositions in the 0 ≤ x ≤ y range, so that defected and non-defected n/i interfaces can be studied. The electroluminescence spectra vs the Sn content y in the intrinsic layer of the diodes exhibit a monotonic shift in the emission wavelength from 1550 nm to 2500 nm. On the other hand, the emission intensities show a complex dependence that cannot be explained solely on the basis of Sn concentrations. Detailed theoretical modeling of these intensities makes it possible to extract recombination lifetimes that are found to be more than three times longer in samples in which strain relaxation has not occurred at the n-i interface, demonstrating the existence of a large non-radiative contribution from the relaxation defects. This finding is particularly significant for direct gap diodes with y > 0.09, for which it is practically impossible to avoid strain relaxation in n-Ge/i-Ge{sub 1−y}Sn{sub y}/p-Ge analogs. The new designs introduced here open the door to the fabrication of highly efficient electrically pumped systems for applications in future generations of integrated photonics.

  19. Late Cretaceous granites from the giant Dulong Sn-polymetallic ore district in Yunnan Province, South China: Geochronology, geochemistry, mineral chemistry and Nd-Hf isotopic compositions

    NASA Astrophysics Data System (ADS)

    Xu, Bin; Jiang, Shao-Yong; Wang, Rong; Ma, Liang; Zhao, Kui-dong; Yan, Xiong

    2015-03-01

    As a world-class tin-tungsten province, South China is well known for its extensive Mesozoic granitic magmatism. The Dulong district, located in the western Cathaysia Block of the South China tin-tungsten province, is characterized by widespread Mesozoic granitoids and accompanying Sn-polymetallic ore deposit (~ 30 Mt of Sn). It is one of the most important polymetallic tin ore districts in China. In this study, three mineralization-related granite types were identified in the Dulong district, including the Dulong coarse-grained granite (DCG), the Dulong fine-grained granite (DFG), and the Dulong porphyritic granite (DPG). Detailed studies are presented on zircon U-Pb ages, major and trace elements, mineral chemical and Nd-Hf isotopic compositions of the tin-bearing granites from the Dulong district. LA-ICP-MS U-Pb dating of zircon grains from these three granite bodies yields ages of 90.1 ± 0.7 Ma, 89.7 ± 0.8 Ma and 86.0 ± 0.5 Ma, respectively. Geochemically, the granites are strongly peraluminous, with high contents of alkalis, enrichment in P, Li, Rb, Cs, Ta, Sn, W and U, depletion in Ti, Mg, Co, Ni, Sr, Ba, Zr, Hf, Th and rare earth elements. Fractional crystallization of plagioclase and K-feldspar was the principal process of magmatic differentiation that controlled Rb, Sr, Ba and Eu concentrations, whereas rare earth elements were fractionated by accessory minerals, such as apatite and monazite. The geochemical data suggest that the rocks are highly fractionated S-type granites. The granites show bulk rock εNd(t) values in the range of - 12.2 to - 10.8 and zircon εHf(t) values from - 15.5 to - 2.5, with Meso-Paleoproterozoic TDMC ages for both Nd and Hf isotopes. Geochemical and isotopic data suggest that these highly fractionated S-type granites DCG, DFG and DPG were originated from the same episode of partial melting of the protolith, which have analogous components of metamorphosed pelitic rocks from the Meso-Paleoproterozoic continental crust

  20. Catalyst engineering for lithium ion batteries: the catalytic role of Ge in enhancing the electrochemical performance of SnO2(GeO2)0.13/G anodes

    NASA Astrophysics Data System (ADS)

    Zhu, Yun Guang; Wang, Ye; Han, Zhao Jun; Shi, Yumeng; Wong, Jen It; Huang, Zhi Xiang; Ostrikov, Kostya Ken; Yang, Hui Ying

    2014-11-01

    The catalytic role of germanium (Ge) was investigated to improve the electrochemical performance of tin dioxide grown on graphene (SnO2/G) nanocomposites as an anode material of lithium ion batteries (LIBs). Germanium dioxide (GeO2) and SnO2 nanoparticles (<10 nm) were uniformly anchored on the graphene sheets via a simple single-step hydrothermal method. The synthesized SnO2(GeO2)0.13/G nanocomposites can deliver a capacity of 1200 mA h g-1 at a current density of 100 mA g-1, which is much higher than the traditional theoretical specific capacity of such nanocomposites (~702 mA h g-1). More importantly, the SnO2(GeO2)0.13/G nanocomposites exhibited an improved rate, large current capability (885 mA h g-1 at a discharge current of 2000 mA g-1) and excellent long cycling stability (almost 100% retention after 600 cycles). The enhanced electrochemical performance was attributed to the catalytic effect of Ge, which enabled the reversible reaction of metals (Sn and Ge) to metals oxide (SnO2 and GeO2) during the charge/discharge processes. Our demonstrated approach towards nanocomposite catalyst engineering opens new avenues for next-generation high-performance rechargeable Li-ion batteries anode materials.The catalytic role of germanium (Ge) was investigated to improve the electrochemical performance of tin dioxide grown on graphene (SnO2/G) nanocomposites as an anode material of lithium ion batteries (LIBs). Germanium dioxide (GeO2) and SnO2 nanoparticles (<10 nm) were uniformly anchored on the graphene sheets via a simple single-step hydrothermal method. The synthesized SnO2(GeO2)0.13/G nanocomposites can deliver a capacity of 1200 mA h g-1 at a current density of 100 mA g-1, which is much higher than the traditional theoretical specific capacity of such nanocomposites (~702 mA h g-1). More importantly, the SnO2(GeO2)0.13/G nanocomposites exhibited an improved rate, large current capability (885 mA h g-1 at a discharge current of 2000 mA g-1) and excellent long

  1. Atomic layer deposition of crystalline SrHfO{sub 3} directly on Ge (001) for high-k dielectric applications

    SciTech Connect

    McDaniel, Martin D.; Ngo, Thong Q.; Ekerdt, John G.; Hu, Chengqing; Jiang, Aiting; Yu, Edward T.; Lu, Sirong; Smith, David J.; Posadas, Agham; Demkov, Alexander A.

    2015-02-07

    The current work explores the crystalline perovskite oxide, strontium hafnate, as a potential high-k gate dielectric for Ge-based transistors. SrHfO{sub 3} (SHO) is grown directly on Ge by atomic layer deposition and becomes crystalline with epitaxial registry after post-deposition vacuum annealing at ∼700 °C for 5 min. The 2 × 1 reconstructed, clean Ge (001) surface is a necessary template to achieve crystalline films upon annealing. The SHO films exhibit excellent crystallinity, as shown by x-ray diffraction and transmission electron microscopy. The SHO films have favorable electronic properties for consideration as a high-k gate dielectric on Ge, with satisfactory band offsets (>2 eV), low leakage current (<10{sup −5} A/cm{sup 2} at an applied field of 1 MV/cm) at an equivalent oxide thickness of 1 nm, and a reasonable dielectric constant (k ∼ 18). The interface trap density (D{sub it}) is estimated to be as low as ∼2 × 10{sup 12 }cm{sup −2 }eV{sup −1} under the current growth and anneal conditions. Some interfacial reaction is observed between SHO and Ge at temperatures above ∼650 °C, which may contribute to increased D{sub it} value. This study confirms the potential for crystalline oxides grown directly on Ge by atomic layer deposition for advanced electronic applications.

  2. Thermal stability and relaxation mechanisms in compressively strained Ge0.94Sn0.06 thin films grown by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Fleischmann, C.; Lieten, R. R.; Hermann, P.; Hönicke, P.; Beckhoff, B.; Seidel, F.; Richard, O.; Bender, H.; Shimura, Y.; Zaima, S.; Uchida, N.; Temst, K.; Vandervorst, W.; Vantomme, A.

    2016-08-01

    Strained Ge1-xSnx thin films have recently attracted a lot of attention as promising high mobility or light emitting materials for future micro- and optoelectronic devices. While they can be grown nowadays with high crystal quality, the mechanism by which strain energy is relieved upon thermal treatments remains speculative. To this end, we investigated the evolution (and the interplay) of composition, strain, and morphology of strained Ge0.94Sn0.06 films with temperature. We observed a diffusion-driven formation of Sn-enriched islands (and their self-organization) as well as surface depressions (pits), resulting in phase separation and (local) reduction in strain energy, respectively. Remarkably, these compositional and morphological instabilities were found to be the dominating mechanisms to relieve energy, implying that the relaxation via misfit generation and propagation is not intrinsic to compressively strained Ge0.94Sn0.06 films grown by molecular beam epitaxy.

  3. K2Sn2ZnSe6, Na2Ge2ZnSe6, and Na2In2GeSe6: a new series of quaternary selenides with intriguing structural diversity and nonlinear optical properties.

    PubMed

    Zhou, Molin; Li, Chao; Li, Xiaoshuang; Yao, Jiyong; Wu, Yicheng

    2016-05-01

    Three new compounds (i.e., K2Sn2ZnSe6, Na2Ge2ZnSe6, and Na2In2GeSe6) with intriguing structural diversity and nonlinear optical properties were discovered for the first time. They crystallize in space groups P4/ncc, I4/mcm and Cc, respectively. In K2Sn2ZnSe6 and Na2Ge2ZnSe6, the [Sn(Ge)Se4] tetrahedra and [ZnSe4] tetrahedra are linked via edge-sharing to build up a 1D [Sn2ZnSe6] infinite chain separated by K(+)(Na(+)) cations along the c direction, while the structure of Na2In2GeSe6 is an interesting three-dimensional framework composed of [InSe4] and [GeSe4] tetrahedra via corner-sharing with Na(+) cations in the cavities. The experimental optical band gaps of these compounds were determined as 1.71(2) eV, 2.36(4) eV and 2.47(2) eV, respectively, according to UV-vis-NIR diffuse reflectance spectroscopy. Interestingly, in addition to the large band gap (1.80 eV for AgGaSe2, as a comparison), Na2In2GeSe6 exhibits phase-matchable nonlinear optical (NLO) properties with a powder second harmonic generation signal about 0.8 times that of AgGaS2. Moreover, Na2In2GeSe6 melts congruently at a rather low temperature of 671 °C, which suggests that bulk crystals can be easily obtained by the Bridgman-Stockbarger method. Our preliminary results indicate that Na2In2GeSe6 has promising applications in IR nonlinear optics. PMID:27049006

  4. Syntheses and structural characterization of non-centrosymmetric Na2M2M'S6 (M, M‧=Ga, In, Si, Ge, Sn, Zn, Cd) sulfides

    NASA Astrophysics Data System (ADS)

    Yohannan, Jinu P.; Vidyasagar, Kanamaluru

    2016-06-01

    Seven new non-centrosymmetric Na2M2M'S6 sulfides, namely, Na2Sn2ZnS6(1), Na2Ga2GeS6(2), Na2Ga2SnS6(3-α), Na2Ga2SnS6(3-β), Na2Ge2ZnS6(4), Na2Ge2CdS6(5), Na2In2SiS6(6) and Na2In2GeS6(7), were synthesized by high temperature solid state reactions and structurally characterized by single crystal X-ray diffraction. They crystallize in non-centrosymmetric Fdd2 and Cc space groups and their three-dimensional [M2M‧S6]2-framework structures consist of MS4 and M‧S4 tetrahedra corner-connected to one another in either orderly or disordered fashion. Sodium ions reside in the tunnels of the anionic framework. Compounds 1, 2 and 3-α have the structure of known Li2Ga2GeS6, whereas compounds 6 and 7 are isostructural with known Li2In2GeS6 compound. Isostructural compounds 4 and 5 represent a new structural variant. Compounds 3-α and its new monoclinic structural variant 3-β have disordered structural framework. All of them are wide band gap semiconductors. Na2Ga2GeS6(2), Na2Ga2SnS6(3), Na2Ge2ZnS6(4) and Na2In2GeS6(7) compounds are found to be second-harmonic generation (SHG) active. Compounds 1, 2 and 3-α melt congruently.

  5. Effects of post-deposition annealing on crystalline state of GeSn thin films sputtered on Si substrate and its application to MSM photodetector

    NASA Astrophysics Data System (ADS)

    Mahmodi, H.; Hashim, M. R.

    2016-10-01

    Ge1‑x Sn x alloy thin films were prepared by co-sputtering from Ge and Sn targets on a Si (100) substrate at room temperature, and were then heated at temperature ranging from 200 {}\\circ {{C}} to 500 {}\\circ {{C}} in N2 ambient to reduce the disorder and defects and increase the crystalline quality of the films. Images obtained by field emission scanning electron microscopy revealed that the as-grown and all annealed samples displayed a densely packed morphology. The atomic percent composition of Sn in the as-grown Ge1‑x Sn x film is 5.7 at % . Energy-dispersive x-ray spectroscopy results showed Sn surface segregation after heat treatment, as the Sn composition is reduced to 3.3 at % for the film annealed at 500 {}\\circ C. The Raman analysis showed that the only observed phonon mode is attributed to Ge–Ge vibrations. The Raman spectra of as-sputtered and annealed films revealed their nanocrystalline-amorphous nature. The samples annealed at lower temperature exhibited higher phonon intensity, indicating the improvement of crystallinity of the film. The optoelectronic characteristics of fabricated metal-semiconductor-metal photodetectors on the annealed sample at 200 {}\\circ {{C}} and the as-sputtered sample were studied in the dark and under illumination. Compared with the as-sputtered one, the annealed sample showed lower dark current and higher current gain of 209. The results showed the potentiality of using the sputtering technique to produce GeSn layer for optoelectronics application.

  6. Electronic and Optical Properties of Ca3MN (M = Ge, Sn, Pb, P, As, Sb and Bi) Antiperovskite Compounds

    NASA Astrophysics Data System (ADS)

    Iqbal, Samad; Murtaza, G.; Khenata, R.; Mahmood, Asif; Yar, Abdullah; Muzammil, M.; Khan, Matiullah

    2016-08-01

    The electronic and optical properties of cubic antiperovskites Ca3MN (M = Ge, Sn, Pb, P, As, Sb and Bi) were investigated by applying the full potential linearized augmented plane wave plus local orbitals (FP-LAPW + lo) scheme based on density functional theory. Different exchange correlation potentials were adopted for the calculations. The results of band structure and density of states show that, by changing the central anion of Ca3MN, the nature of the materials change from metallic (Ca3GeN, Ca3SnN, Ca3PbN) to semiconducting with small band gaps (Ca3SbN and Ca3BiN) to insulating (Ca3PN and Ca3AsN). The optical properties such as dielectric function, absorption coefficient, optical conductivity, reflectivity and refractive indices have also been calculated. The results reveal that all the studied compounds are optically active in the visible and ultraviolet energy regions, and therefore can be effectively utilized for optoelectronic devices.

  7. Electronic structure and thermoelectric properties of (Mg2X)2 / (Mg2Y)2 (X, Y = Si, Ge, Sn) superlattices from first-principle calculations

    NASA Astrophysics Data System (ADS)

    Guo, San-Dong

    2016-05-01

    To identify thermoelectric materials containing abundant, low-cost and non-toxic elements, we have studied the electronic structures and thermoelectric properties of (Mg2X)2/ (Mg2Y)2 (X, Y = Si, Ge, Sn) superlattices with state-of-the-art first-principles calculations using a modified Becke and Johnson (mBJ) exchange potential. Our results show that (Mg2Ge)2/ (Mg2Sn)2 and (Mg2Si)2/ (Mg2Sn)2 are semi-metals using mBJ plus spin-orbit coupling (mBJ + SOC), while (Mg2Si)2/ (Mg2Ge)2 is predicted to be a direct-gap semiconductor with a mBJ gap value of 0.46 eV and mBJ + SOC gap value of 0.44 eV. Thermoelectric properties are predicted by through solving the Boltzmann transport equations within the constant scattering time approximation. It is found that (Mg2Si)2/ (Mg2Ge)2 has a larger Seebeck coefficient and power factor than (Mg2Ge)2/ (Mg2Sn)2 and (Mg2Si)2/ (Mg2Sn)2 for both p-type and n-type doping. The detrimental influence of SOC on the power factor of p-type (Mg2X)2/ (Mg2Y)2 (X, Y = Si, Ge, Sn) is analyzed as a function of the carrier concentration, but there is a negligible SOC effect for n-type. These results can be explained by the influence of SOC on their valence and conduction bands near the Fermi level.

  8. Ellipsometric characterization of doped Ge0.95Sn0.05 films in the infrared range for plasmonic applications.

    PubMed

    Augel, L; Fischer, I A; Hornung, F; Dressel, M; Berrier, A; Oehme, M; Schulze, J

    2016-09-15

    GeSn as a group-IV material opens up new possibilities for realizing photonic device concepts in Si-compatible fabrication processes. Here we present results of the ellipsometric characterization of highly p- and n-type doped Ge0.95Sn0.05 alloys deposited on Si substrates investigated in the wavelength range from 1 to 16 μm. We discuss the suitability of these films for integrated plasmonic applications in the infrared region. PMID:27628407

  9. Theoretical investigation of Sn-doped Ge{sub 2}Sb{sub 2}Te{sub 5} alloy in crystalline phase

    SciTech Connect

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

    2015-06-24

    Ge{sub 2}Sb{sub 2}Te{sub 5} (GST) is technologically important for phase-change random access memory applications. It has been shown that the 2.2 atomic % doping of Sn weakens the Ge–Te bond strength while maintaining the symmetry of stable phase of GST. The influence of Sn doping upon the phase change characteristics of the crystalline GST alloy has been investigated by ab initio calculations. The lattice parameter, average interface distances between two adjacent (111) layers, equilibrium volume, metallic character and electrical resistance has been calculated for the stable phase of GST and Sn-doped GST.

  10. GeP and (Ge{sub 1−x}Sn{sub x})(P{sub 1−y}Ge{sub y}) (x≈0.12, y≈0.05): Synthesis, structure, and properties of two-dimensional layered tetrel phosphides

    SciTech Connect

    Lee, Kathleen; Synnestvedt, Sarah; Bellard, Maverick; Kovnir, Kirill

    2015-04-15

    GeP and Sn-doped GeP were synthesized from elements in bismuth and tin flux, respectively. The layered crystal structures of these compounds were characterized by single crystal X-ray diffraction. Both phosphides crystallize in a GaTe structure type in the monoclinic space group C2/m (No. 12) with GeP: a=15.1948(7) Å, b=3.6337(2) Å, c=9.1941(4) Å, β=101.239(2)°; Ge{sub 0.93(3)}P{sub 0.95(1)}Sn{sub 0.12(3)}: a=15.284(9) Å, b=3.622(2) Å, c=9.207(5) Å, β=101.79(1)°. The crystal structure of GeP consists of 2-dimensional GeP layers held together by weak electron lone pair interactions between the phosphorus atoms that confine the layer. Each layer is built of Ge–Ge dumbbells surrounded by a distorted antiprism of phosphorus atoms. Sn-doped GeP has a similar structural motif, but with a significant degree of disorder emphasized by the splitting of all atomic positions. Resistivity measurements together with quantum-chemical calculations reveal semiconducting behavior for the investigated phosphides. - Graphical abstract: Layered phosphides GeP and Sn-doped GeP were synthesized from elements in bismuth and tin flux, respectively. The crystal structure of GeP consists of 2-dimensional GeP layers held together by weak electron lone pair interactions between the phosphorus atoms that confine the layer. Sn-doped GeP has a similar structural motif with a significant degree of disorder emphasized by the splitting of all atomic positions. Resistivity measurements together with quantum-chemical calculations reveal semiconducting behavior for the investigated phosphides. - Highlights: • GeP crystallizes in a layered crystal structure. • Doping of Sn into GeP causes large structural distortions. • GeP is narrow bandgap semiconductor. • Sn-doped GeP exhibits an order of magnitude higher resistivity due to disorder.

  11. Pseudo single crystal, direct-band-gap Ge{sub 0.89}Sn{sub 0.11} on amorphous dielectric layers towards monolithic 3D photonic integration

    SciTech Connect

    Li, Haofeng; Brouillet, Jeremy; Wang, Xiaoxin; Liu, Jifeng

    2014-11-17

    We demonstrate pseudo single crystal, direct-band-gap Ge{sub 0.89}Sn{sub 0.11} crystallized on amorphous layers at <450 °C towards 3D Si photonic integration. We developed two approaches to seed the lateral single crystal growth: (1) utilize the Gibbs-Thomson eutectic temperature depression at the tip of an amorphous GeSn nanotaper for selective nucleation; (2) laser-induced nucleation at one end of a GeSn strip. Either way, the crystallized Ge{sub 0.89}Sn{sub 0.11} is dominated by a single grain >18 μm long that forms optoelectronically benign twin boundaries with others grains. These pseudo single crystal, direct-band-gap Ge{sub 0.89}Sn{sub 0.11} patterns are suitable for monolithic 3D integration of active photonic devices on Si.

  12. Role of Ge and Si substrates in higher-k tetragonal phase formation and interfacial properties in cyclical atomic layer deposition-anneal Hf1-xZrxO2/Al2O3 thin film stacks

    NASA Astrophysics Data System (ADS)

    Dey, Sonal; Tapily, Kandabara; Consiglio, Steven; Clark, Robert D.; Wajda, Cory S.; Leusink, Gert J.; Woll, Arthur R.; Diebold, Alain C.

    2016-09-01

    Using a five-step atomic layer deposition (ALD)-anneal (DADA) process, with 20 ALD cycles of metalorganic precursors followed by 40 s of rapid thermal annealing at 1073 K, we have developed highly crystalline Hf1-xZrxO2 (0 ≤ x ≤ 1) thin films (<7 nm) on ˜1 nm ALD Al2O3 passivated Ge and Si substrates for applications in higher-k dielectric metal oxide semiconductor field effect transistors below 10 nm technology node. By applying synchrotron grazing incidence x-ray d-spacing maps, x-ray photoelectron spectroscopy (XPS), and angle-resolved XPS, we have identified a monoclinic to tetragonal phase transition with increasing ZrO2 content, elucidated the role of the Ge vs Si substrates in complete tetragonal phase formation (CTPF), and determined the interfacial characteristics of these technologically relevant films. The ZrO2 concentration required for CTPF is lower on Ge than on Si substrates (x ˜ 0.5 vs. x ˜ 0.86), which we attribute as arising from the growth of an ultra-thin layer of metal germanates between the Hf1-xZrxO2 and Al2O3/Ge, possibly during the first deposition and annealing cycle. Due to Ge-induced tetragonal phase stabilization, the interfacial metal germanates could act as a template for the subsequent preferential growth of the tetragonal Hf1-xZrxO2 phase following bottom-up crystallization during the DADA ALD process. We surmise that the interfacial metal germanate layer also function as a diffusion barrier limiting excessive Ge uptake into the dielectric film. An ALD Al2O3 passivation layer of thickness ≥1.5 nm is required to minimize Ge diffusion for developing highly conformal and textured HfO2 based higher-k dielectrics on Ge substrates using the DADA ALD process.

  13. Improvement in the Positive Bias Temperature Stability of SnOx-Based Thin Film Transistors by Hf and Zn Doping.

    PubMed

    Han, Dongsuk; Park, Jaehyung; Kang, Minsoo; Jeon, Hyeongtag; Park, Jongwan

    2015-10-01

    We investigated the performance of tin oxide thin film transistors (TFTs) using DC magnetron sputtering. A remarkable improvement in the transfer characteristics was obtained for the Hf-doped tin oxide (HTO) TFT. We also developed amorphous hafnium-zinc-tin oxide (HZTO) thin film transistors and investigated the effects of hafnium doping on the electrical characteristics of the HTO TFTs. Doping with hafnium resulted in a reduced defect density in the tin oxide channel layer related to oxygen vacancies, which may result from increased field effect mobility. Zinc atoms have relatively higher oxidation potential compared to tin atoms, so more oxygen molecules can be absorbed and more electrons are trapped in the HZTO films. The HZTO TFTs exhibited good electrical characteristics with a field effect mobility of 10.98 cm2/Vs, and a high ION/IOFF ratio over 10(8). PMID:26726382

  14. Improvement in the Positive Bias Temperature Stability of SnOx-Based Thin Film Transistors by Hf and Zn Doping.

    PubMed

    Han, Dongsuk; Park, Jaehyung; Kang, Minsoo; Jeon, Hyeongtag; Park, Jongwan

    2015-10-01

    We investigated the performance of tin oxide thin film transistors (TFTs) using DC magnetron sputtering. A remarkable improvement in the transfer characteristics was obtained for the Hf-doped tin oxide (HTO) TFT. We also developed amorphous hafnium-zinc-tin oxide (HZTO) thin film transistors and investigated the effects of hafnium doping on the electrical characteristics of the HTO TFTs. Doping with hafnium resulted in a reduced defect density in the tin oxide channel layer related to oxygen vacancies, which may result from increased field effect mobility. Zinc atoms have relatively higher oxidation potential compared to tin atoms, so more oxygen molecules can be absorbed and more electrons are trapped in the HZTO films. The HZTO TFTs exhibited good electrical characteristics with a field effect mobility of 10.98 cm2/Vs, and a high ION/IOFF ratio over 10(8).

  15. Theoretical investigations on vibrational properties and thermal conductivities of ternary antimonides TiXSb, ZrXSb and HfXSb (X = Si, Ge)

    NASA Astrophysics Data System (ADS)

    Deligoz, E.; Ozyar, U. F.; Ozisik, H. B.

    2016-06-01

    We have performed density functional calculations of the vibrational and thermodynamic properties of the ternary antimonides TiXSb, ZrXSb and HfXSb (X = Si, Ge). The direct method is used to calculate the phonon dispersion relation and phonon density of states for these compounds as well as their infrared and Raman active mode frequencies for the first time. Their dynamical stability is confirmed by phonon spectra. The lattice thermal conductivities of these compounds have been calculated from third-order force constants and plotted as a function of temperature. We have also evaluated the high temperature thermal conductivity by means of the Clarke's model and Cahill's model. Some selected thermodynamical properties, e.g. Gibbs free energy, entropy and heat capacity at constant volume are predicted theoretically and discussed. We have showed the relationships between thermodynamical properties and temperature. The numerical calculations reported in this paper were partially performed at Aksaray University, Science and Technology Application and Research Center.

  16. Low-temperature growth and critical epitaxial thicknesses of fully strained metastable Ge{sub 1{minus}x}Sn{sub x} (x{approx_lt}0.26) alloys on Ge(001)2{times}1

    SciTech Connect

    Gurdal, O.; Desjardins, P.; Carlsson, J.R.; Taylor, N.; Radamson, H.H.; Sundgren, J.; Greene, J.E.

    1998-01-01

    Epitaxial metastable Ge{sub 1{minus}x}Sn{sub x} alloys with x up to 0.26 (the equilibrium solid solubility of Sn in Ge is {lt}0.01) were grown on Ge(001)2{times}1 by low-temperature molecular beam epitaxy. Film growth temperatures T{sub s} in these experiments were limited to a relatively narrow range around 100{degree}C by the combination of increased kinetic surface roughening at low temperatures and Sn surface segregation at high temperatures. All Ge{sub 1{minus}x}Sn{sub x} films consisted of three distinct sublayers: the first is a highly perfect epitaxial region followed by a sublayer, with an increasingly rough surface, containing 111 stacking faults and microtwins, while the terminal sublayer is amorphous. Based upon reflection high energy electron diffraction and cross-sectional transmission electron microscopy (XTEM) analyses, critical epitaxial thicknesses t{sub epi}, defined as the onset of amorphous growth, were found to decrease from 1080 {Angstrom} for pure Ge to {approx_equal}35{Angstrom} for alloys with x=0.26. TEM and XTEM analyses revealed no indication of misfit dislocations (except in Ge{sub 0.74}Sn{sub 0.26} samples) and high-resolution x-ray reciprocal lattice mapping showed that epitaxial Ge{sub 1{minus}x}Sn{sub x} layers were essentially fully strained. From an analysis of t{sub epi}(x) results, surface morphological evolution leading to epitaxial breakdown is controlled by kinetic roughening for alloys with x{approx_lt}0.09 and by strain-induced roughening at higher Sn concentrations. We propose that the thermal activation required for the cross-over, reported here for the first time, from kinetic to strain-induced roughening is partially overcome by the fact that kinetic roughening provides local surface chemical potential gradients over lateral length scales which are sufficiently small to initiate strain-induced roughening even at these low temperatures. {copyright} {ital 1998 American Institute of Physics.}

  17. VizieR Online Data Catalog: Photometry of the Type Ib/c SN2013ge (Drout+, 2016)

    NASA Astrophysics Data System (ADS)

    Drout, M. R.; Milisavljevic, D.; Parrent, J.; Margutti, R.; Kamble, A.; Soderberg, A. M.; Challis, P.; Chornock, R.; Fong, W.; Frank, S.; Gehrels, N.; Graham, M. L.; Hsiao, E.; Itagaki, K.; Kasliwal, M.; Kirshner, R. P.; Macomb, D.; Marion, G. H.; Norris, J.; Phillips, M. M.

    2016-06-01

    We obtained UV and optical photometry of the Type Ib/c SN2013ge spanning 466 days. Data were obtained with the UV Optical Telescope (UVOT) on board Swift (w2, m2 , w1, u, b, and v bands; table1.dat), the 0.4 m telescope at the Challis Astronomical Observatory (CAO; B, V, R, and I bands; table2.dat), the 1.2m telescope plus KeplerCam CCD at the Fred Lawrence Whipple Observatory (FLWO; B, V, r, and i bands; table3.dat), the MMTCam instrument mounted on the 6.5 m MMT telescope, the Large Binocular Camera (LBC) mounted on the Large Binocular Telescope (LBT), and the Inamori-Magellan Areal Camera and Spectrograph (IMACS) on Magellan-Baade (r, i, and z bands; table4.dat). (4 data files).

  18. Physical properties and superconductivity of skutterudite-related Yb3Co4.3Sn12.7 and Yb3Co4Ge13

    NASA Astrophysics Data System (ADS)

    Mudryk, Ya; Grytsiv, A.; Rogl, P.; Dusek, C.; Galatanu, A.; Idl, E.; Michor, H.; Bauer, E.; Godart, C.; Kaczorowski, D.; Romaka, L.; Bodak, O.

    2001-08-01

    Rietveld analysis was performed for the intermetallics Yb3Co4.3Sn12.7 and Yb3Co4Ge13 crystallizing with the closely related structure types, Yb3Rh4Sn13 and Yb3Co4Ge13. Below Tc = 3.4 K Yb3Co4.3Sn12.7 crosses over into a type-II superconducting ground state with Hc2(0)~2.5 T. Yb3Co4Ge13 stays in the normal state down to 300 mK. The γ value of 2.3(2) mJ gat-1 K-2 and the Debye temperature ΘD = 207(5) K deduced from the specific heat as well as Tc correspond to that of elementary Sn, thus indicating conventional BCS superconductivity. Hydrostatic pressure applied to Yb3Co4.3Sn12.7 reveals both an overall decrease of the absolute resistivity values, as well as a decrease of Tc, which vanishes for a critical pressure below 10 kbar. The magnetoresistance of both Yb-based compounds is positive at low temperature but does not exceed 8% in fields of 12 T. The Seebeck coefficient has a maximum value of about 18 µV K-1 at T~250 K. LIII and magnetic susceptibility measurements reveal intermediate valence: 2.66(3) and 2.18(3) for Yb3Co4Ge13 and Yb3Co4.3Sn12.7, respectively.

  19. Ternary arsenides ATt3As3 (A=K, Rb; Tt=Ge, Sn) with layered structures

    NASA Astrophysics Data System (ADS)

    Khatun, Mansura; Stoyko, Stanislav S.; Mar, Arthur

    2016-06-01

    The four ternary arsenides ATt3As3 (A=K, Rb; Tt=Ge, Sn) were obtained by reaction of the elements at 600-650 °C. They adopt an orthorhombic structure (space group Pnma, Z=4, with cell parameters ranging from a=9.9931(11) Å, b=3.7664(4) Å, c=18.607(2) Å for KGe3As3 to a=10.3211(11) Å, b=4.0917(4) Å, c=19.570(2) Å for RbSn3As3) containing corrugated [Tt3As3] layers built from Tt-centred trigonal pyramids and tetrahedra forming five-membered rings decorated with As handles. They can be considered to be Zintl phases with Tt atoms in +4, +3, and +1 oxidation states. Band structure calculations predict that these compounds are semiconductors with narrow band gaps (0.71 eV in KGe3As3, 0.50 eV in KSn3As3).

  20. Crystal structure and magnetic properties of GdSi1.78, Gd(Si0.684Ge0.316)1.78, GdGe1.57, and GdSn2 compounds

    NASA Astrophysics Data System (ADS)

    Zou, J. D.; Liu, J.; Yan, M.

    2015-07-01

    Intermetallic compounds of Gd with Si, Ge, and Sn near 1:2 stoichiometry adopt several closely related crystal structures. We find that GdSi1.78 and Gd(Si0.684Ge0.316)1.78 crystallize in the same GdSi1.4-type orthorhombic structure (space group Imma), while GdGe1.57 and GdSn2 adopt α-ThSi2-type tetragonal structure (space group I41/amd) and ZrSi2-type orthorhombic structure (space group Cmcm), respectively. All compounds order antiferromagnetically; their Néel temperatures are only weakly affected by the magnetic field of less than 50 kOe. Unusual features are observed including multiple phase transitions and thermomagnetic irreversibilities.

  1. Thermoelectric Properties of Sr-Filled Ge-Based Type I Single-Crystal Clathrate Grown by Sn-Flux Method

    NASA Astrophysics Data System (ADS)

    Deng, Shuping; Liu, Hongxia; Li, Decong; Wang, Jinsong; Cheng, Feng; Shen, Lanxian; Deng, Shukang

    2016-08-01

    Single-crystal samples of Sr-filled Ge-based type I clathrate have been prepared by the Sn-flux method, and their thermoelectric properties investigated. The obtained samples exhibited n-type conduction with carrier concentration varying from 2.8 × 1019/cm3 to 6.8 × 1019/cm3 as the carrier mobility changed from 23.9 cm2/V-s to 15.1 cm2/V-s at room temperature. Structural analysis indicated that all samples were type I clathrate in space group pmbar{3}n . The total content of group IV (Ge + Sn) atoms in the crystalline structure increased with increasing x value (where x defines the atomic ratio of starting elements, Sr:Ga:Ge:Sn = 8:16:x:20), reaching a maximum value of 31.76 at.% for the sample with x = 30; consequently, the lattice parameters increased. The melting points for all samples were approximately 1012 K, being considerably lower than that of single-crystal Sr8Ga16Ge30 prepared by other methods. The electrical conductivity increased while the absolute value of α increased gradually with increasing temperature; the maximum value of α reached 193 μV/K at 750 K for the sample with x = 24. The sample with x = 30 exhibited lower lattice thermal conductivity of 0.80 W/m-K. As a result, among all the Sn-flux samples, single-crystal Sr7.92Ga15.04Sn0.35Ge30.69 had the largest ZT value of 1.0 at about 750 K.

  2. Dielectric behavior of a-Sn-Se-Pb-Ge chalcogenide glass

    NASA Astrophysics Data System (ADS)

    Kumar, Prashant; Modgil, Vivek; Choudhary, Shobhana; Nidhi, A. V.; Rangra, V. S.

    2015-05-01

    The bulk material Sn8Se74Pb18-xGex(7≤x≤11) has been prepared by melt quenching technique. The viterous and glassy nature have been confirmed by X-Ray Diffraction (XRD) and Differential Scanning Calorimetery (DSC) techniques respectively. The material exhibits the good thermal stability and high value of glass transition temperature. The dielectric behavior has been studied in frequency range 50Hz-1MHz, using pallet method. The universal dielectric behaviour of amorphous semiconductors has been observed for the glass system. The compositional dependence of dielectric behavior has also been observed.

  3. Panoscopically optimized thermoelectric performance of a half-Heusler/full-Heusler based in situ bulk composite Zr(0.7)Hf(0.3)Ni(1+x)Sn: an energy and time efficient way.

    PubMed

    Bhardwaj, A; Chauhan, N S; Sancheti, Bhagyashree; Pandey, G N; Senguttuvan, T D; Misra, D K

    2015-11-28

    All scale hierarchical architecturing, matrix/inclusion band alignment and intra-matrix electronic structure engineering, the so called panoscopic approach for thermoelectric materials has been demonstrated to be an effective paradigm for optimizing high ZT. To achieve such hierarchically organized microstructures, composition engineering has been considered to be an efficient strategy. In this work, such a panoscopic concept has been extended to demonstrate for the first time in the case of half-Heusler based thermoelectric materials via a composition engineering route. A series of new off-stoichiometric n-type Zr0.7Hf0.3Ni1+xSn (0 ≤x≤ 0.10) HH compositions have been modified to derive HH(1 -x)/full-Heusler (FH)(x) composite with an all scale hierarchically modified microstructure with FH inclusions within the matrix to study the temperature dependent thermoelectric properties. The structural analysis employing XRD, FE-SEM and HR-TEM of these materials reveal a composite of HH and FH, with hierarchically organized microstructures. In such a submicron/nano-composite, the electronic properties are observed to be well optimized yielding a large power factor; α(2)σ (∼30.7 × 10(-4) W m(-1) K(-2) for Zr0.7Hf0.3Ni1.03Sn) and reduced thermal conductivity (∼2.4 W m(-1) K(-1) for Zr0.7Hf0.3Ni1.03Sn) yielding a high ZT∼ 0.96 at 773 K for composition Zr0.7Hf0.3Ni1.03Sn which is ∼250% larger than the normal HH Zr0.7Hf0.3NiSn (ZT∼ 0.27 at 773 K). The enhancement in ZT of these composites has been discussed in terms of primary electron filtering, electron injection and several phonon scattering mechanisms such as alloy scattering, point defect scattering, and grain boundary scattering. The Bergman and Fel model is used to calculate effective thermoelectric parameters of these composites for comparing the experimental results. PMID:26499748

  4. Panoscopically optimized thermoelectric performance of a half-Heusler/full-Heusler based in situ bulk composite Zr(0.7)Hf(0.3)Ni(1+x)Sn: an energy and time efficient way.

    PubMed

    Bhardwaj, A; Chauhan, N S; Sancheti, Bhagyashree; Pandey, G N; Senguttuvan, T D; Misra, D K

    2015-11-28

    All scale hierarchical architecturing, matrix/inclusion band alignment and intra-matrix electronic structure engineering, the so called panoscopic approach for thermoelectric materials has been demonstrated to be an effective paradigm for optimizing high ZT. To achieve such hierarchically organized microstructures, composition engineering has been considered to be an efficient strategy. In this work, such a panoscopic concept has been extended to demonstrate for the first time in the case of half-Heusler based thermoelectric materials via a composition engineering route. A series of new off-stoichiometric n-type Zr0.7Hf0.3Ni1+xSn (0 ≤x≤ 0.10) HH compositions have been modified to derive HH(1 -x)/full-Heusler (FH)(x) composite with an all scale hierarchically modified microstructure with FH inclusions within the matrix to study the temperature dependent thermoelectric properties. The structural analysis employing XRD, FE-SEM and HR-TEM of these materials reveal a composite of HH and FH, with hierarchically organized microstructures. In such a submicron/nano-composite, the electronic properties are observed to be well optimized yielding a large power factor; α(2)σ (∼30.7 × 10(-4) W m(-1) K(-2) for Zr0.7Hf0.3Ni1.03Sn) and reduced thermal conductivity (∼2.4 W m(-1) K(-1) for Zr0.7Hf0.3Ni1.03Sn) yielding a high ZT∼ 0.96 at 773 K for composition Zr0.7Hf0.3Ni1.03Sn which is ∼250% larger than the normal HH Zr0.7Hf0.3NiSn (ZT∼ 0.27 at 773 K). The enhancement in ZT of these composites has been discussed in terms of primary electron filtering, electron injection and several phonon scattering mechanisms such as alloy scattering, point defect scattering, and grain boundary scattering. The Bergman and Fel model is used to calculate effective thermoelectric parameters of these composites for comparing the experimental results.

  5. Electronic and Thermoelectric Properties of Layered Sn- and Pb-Doped Ge2Sb2Te5 Alloys Using First Principle Calculations

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

    A computational study on stable hexagonal phase of undoped, and Sn- and Pb-doped Ge2Sb2Te5 (GST) phase change materials has been carried out. The electronic structure, lattice dynamics and thermoelectric properties of doped GST have been extensively investigated using ab initio methods with virtual crystal approximation. The hexagonal symmetry of the GST is maintained with the addition of Sn and Pb dopants. The lattice parameters and atomic volume of the Sn-doped GST structure is larger than that of the undoped GST. Electronic band structure calculations show that there is an increase in band gap with the increase in the concentration of Sn (≤4.4 at.%). However, with the addition of a very small amount of Pb, there is a continuous decrease in lattice parameters and band gap values. The calculated energy band structure is then used in combination with the Boltzmann transport equation to calculate the thermoelectric parameters of GST and Sn- and Pb-doped materials. Seebeck coefficient ( S), electronic thermal conductivity ( κ e) and the thermoelectric figure-of-merit ( ZT) have been calculated with the help of BoltzTraP code. It was found that the thermoelectric properties of GST are enhanced with the addition of Sn.

  6. Heat capacity and heat content measurements on binary compounds in the Ru-Si, Ru-Ge, and Ru-Sn systems

    SciTech Connect

    Kuntz, J.J.; Gachon, J.C.; Feschotte, P.; Perring, L. |

    1997-11-01

    Molar heat capacities of Ru{sub 0.5}Si{sub 0.5} Ru{sub 0.4}Si{sub 0.6}, Ru{sub 0.5}Ge{sub 0.5}, Ru{sub 0.4}Ge{sub 0.6}, Ru{sub 0.4}Sn{sub 0.6}, and Ru{sub 0.3}Sn{sub 0.7} were determined every 10 K by differential scanning calorimetry in the temperature range from 310 to 1080 K. The present results have been fitted by a polynomial function of temperature: C{sub p} = a+bT-cT{sup -2}. Heat contents of the six phases have been verified by drop calorimetry. Standard enthalpies of formation are given for the studied compounds.

  7. First-principles study of the structural stability of cubic, tetragonal and hexagonal phases in Mn3Z (Z=Ga, Sn and Ge) Heusler compounds

    NASA Astrophysics Data System (ADS)

    Zhang, Delin; Yan, Binghai; Wu, Shu-Chun; Kübler, Jürgen; Kreiner, Guido; Parkin, Stuart S. P.; Felser, Claudia

    2013-05-01

    We investigate the structural stability and magnetic properties of the cubic, tetragonal and hexagonal phases of Mn3Z (Z=Ga, Sn and Ge) Heusler compounds using first-principles density-functional theory. We propose that the cubic phase plays an important role as an intermediate state in the phase transition from the hexagonal to the tetragonal phases. Consequently, Mn3Ga and Mn3Ge behave differently from Mn3Sn, because the relative energies of the cubic and hexagonal phases are different. This result agrees with experimental observations for these three compounds. The weak ferromagnetism of the hexagonal phase and the perpendicular magnetocrystalline anisotropy of the tetragonal phase obtained in our calculations are also consistent with experiment.

  8. First-principles study of the structural stability of cubic, tetragonal and hexagonal phases in Mn₃Z (Z=Ga, Sn and Ge) Heusler compounds.

    PubMed

    Zhang, Delin; Yan, Binghai; Wu, Shu-Chun; Kübler, Jürgen; Kreiner, Guido; Parkin, Stuart S P; Felser, Claudia

    2013-05-22

    We investigate the structural stability and magnetic properties of the cubic, tetragonal and hexagonal phases of Mn3Z (Z=Ga, Sn and Ge) Heusler compounds using first-principles density-functional theory. We propose that the cubic phase plays an important role as an intermediate state in the phase transition from the hexagonal to the tetragonal phases. Consequently, Mn3Ga and Mn3Ge behave differently from Mn3Sn, because the relative energies of the cubic and hexagonal phases are different. This result agrees with experimental observations for these three compounds. The weak ferromagnetism of the hexagonal phase and the perpendicular magnetocrystalline anisotropy of the tetragonal phase obtained in our calculations are also consistent with experiment.

  9. Memory type switching behavior of ternary Ge20Te80-x Sn x (0  ⩽  x  ⩽  4) chalcogenide compounds

    NASA Astrophysics Data System (ADS)

    Jeevan Fernandes, Brian; Sridharan, Kishore; Munga, Pumlian; Ramesh, K.; Udayashankar, N. K.

    2016-07-01

    Chalcogenide compounds have gained huge research interest recently owing to their capability to transform from an amorphous to a crystalline phase with varying electrical properties. Such materials can be applied in building a new class of memories, such as phase-change memory and programmable metallization cells. Here we report the memory type electrical switching behavior of a ternary chalcogenide compound synthesized by doping Tin (Sn) in a germanium-telluride (Ge20Te80) host matrix, which yielded a composition of Ge20Te80-x Sn x (0  ⩽  x  ⩽  4). Results indicate a remarkable decrease in the threshold switching voltage (V T) from 140 to 61 V when the Sn concentration was increased stepwise, which is attributed to the domination of the metallicity factor leading to reduced amorphous network connectivity and rigidity. Variation in the threshold switching voltage (V T) was noticed even when the sample thickness and temperature were altered, confirming that the memory switching process is of thermal origin. Investigations using x-ray diffraction (XRD) and scanning electron microscopy (SEM) revealed the formation of a crystalline channel that acts as the conduction path between the two electrodes in the switched region. Structural and morphological studies indicated that Sn metal remained as a micro inclusion in the matrix and hardly contributed to the rigid amorphous network formation in Ge20Te80-x Sn x . Memory type electrical switching observed in these ternary chalcogenide compounds synthesized herein can be explored further for the fabrication of phase-change memory devices.

  10. Indirect-to-direct band gap transition in relaxed and strained Ge{sub 1−x−y}Si{sub x}Sn{sub y} ternary alloys

    SciTech Connect

    Attiaoui, Anis; Moutanabbir, Oussama

    2014-08-14

    Sn-containing group IV semiconductors create the possibility to independently control strain and band gap thus providing a wealth of opportunities to develop an entirely new class of low dimensional systems, heterostructures, and silicon-compatible electronic and optoelectronic devices. With this perspective, this work presents a detailed investigation of the band structure of strained and relaxed Ge{sub 1−x−y}Si{sub x}Sn{sub y} ternary alloys using a semi-empirical second nearest neighbors tight binding method. This method is based on an accurate evaluation of the deformation potential constants of Ge, Si, and α-Sn using a stochastic Monte-Carlo approach as well as a gradient based optimization method. Moreover, a new and efficient differential evolution approach is also developed to accurately reproduce the experimental effective masses and band gaps. Based on this, we elucidated the influence of lattice disorder, strain, and composition on Ge{sub 1−x−y}Si{sub x}Sn{sub y} band gap energy and directness. For 0 ≤ x ≤ 0.4 and 0 ≤ y ≤ 0.2, we found that tensile strain lowers the critical content of Sn needed to achieve a direct band gap semiconductor with the corresponding band gap energies below 0.76 eV. This upper limit decreases to 0.43 eV for direct gap, fully relaxed ternary alloys. The obtained transition to direct band gap is given by y > 0.605 × x + 0.077 and y > 1.364 × x + 0.107 for epitaxially strained and fully relaxed alloys, respectively. The effects of strain, at a fixed composition, on band gap directness were also investigated and discussed.

  11. Stability of Half-Metallic Ferromagnetism of Zinc-Blende Type CrAs and MnM (M=Si, Ge and Sn)

    NASA Astrophysics Data System (ADS)

    Sakuma, Akimasa

    2002-10-01

    By the first-principles calculations both for electronic structures and effective exchange constants, we investigate the stability of ferromagnetism of zinc-blende (ZB) type CrAs, and further examine a possibility of ferromagnetism of ZB type MnM (M=Si, Ge and Sn). ZB type CrAs, a half-metallic ferromagnet reported by Akinaga’s group [Jpn. J. Appl. Phys. 39 (2000) L1118], is found to have an effective exchange constant (J0=\\sumi\

  12. Investigation of InSb-In2XTe (X =Ge & Sn) pseudo binary alloys as potential thermoelectric materials

    NASA Astrophysics Data System (ADS)

    Ponnambalam, Vijayabarathi; Morelli, Donald T.

    2015-03-01

    Crystallizing in the zinc blende structure, InSb is known for promising thermoelectric properties with carrier mobility as high as ~ 104 cm2/V s at 300 K. However, the main drawback is its exceptionally high thermal conductivity ~ 20 W/m K at 300 K. In this regard, pseudo binaries InSb-In2XTe (X =Ge & Sn) hold the promise of offering reduced thermal conductivity while maintaining the other thermoelectric properties intact. A series of InSb-In2XTe type alloys has been synthesized. Thermal and electrical transport properties have been studied, and the results will be discussed with an emphasis on how the thermal conductivity is affected by the concentration of solute atoms. This work was supported as part of the Center for Revolutionary Materials for Solid State Energy Conversion, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001054.

  13. Effect of Sb addition on linear and non-linear optical properties of amorphous Ge-Se-Sn thin films

    NASA Astrophysics Data System (ADS)

    Sharma, Navjeet; Sharma, Surbhi; Sarin, Amit; Kumar, Rajesh

    2016-01-01

    Optical characterization of amorphous thin films of Ge20Sn10Se70-xSbx (x = 0, 3, 6, 9, 12, 15) has been carried out. Thin films were deposited onto pre cleaned glass substrates using thermal evaporation technique. Transmission spectra of the films were recorded, for normal incidence, in range 400-2400 nm. Refractive index of the films was calculated using the envelope method by Swanepoel. Dispersion analysis has been carried out using single effective oscillator model. Other optical constants such as absorption coefficients, extinction coefficients have also been evaluated. Tauc plots were used to evaluate the optical band gap. The refractive index has been found to be increasing while the band gap decreases with increasing Sb concentration. The observed optical behavior of the films has been explained using chemical bond approach. Cohesive energy is found to be decreasing in the present work, which reflects that bond strength decreases with the increasing content of Sb. Non-linear optical parameters (i.e. n2 and χ(3)) have been derived from linear optical parameters (i.e. n, k, Eg). Observed changes in linear and non-linear parameters have been reported in this study.

  14. Anharmonic properties in M g2X (X =C ,Si ,Ge ,Sn ,Pb ) from first-principles calculations

    NASA Astrophysics Data System (ADS)

    Chernatynskiy, Aleksandr; Phillpot, Simon R.

    2015-08-01

    Thermal conductivity reduction is one of the potential routes to improve the performance of thermoelectric materials. However, detailed understanding of the thermal transport of many promising materials is still missing. In this paper, we employ electronic-structure calculations at the level of density functional theory to elucidate thermal transport properties of the M g2X (X =C , Si, Ge, Sn, and Pb) family of compounds, which includes M g2Si , a material already identified as a potential thermoelectric. All these materials crystallize into the same antifluorite structure. Systematic trends in the anharmonic properties of these materials are presented and examined. Our calculations indicate that the reduction in the group velocity is the main driver of the thermal conductivity trend in these materials, as the phonon lifetimes in these compounds are very similar. We also examine the limits of the applicability of perturbation theory to study the effect of point defects on thermal transport and find that it is in good agreement with experiment in a wide range of scattering parameter values. The thermal conductivity of the recently synthesized M g2C is computed and predicted to be 34 W/mK at 300 °C.

  15. Solvothermal synthesis, structure and physical properties of Cs[Cr(en)2MSe4] (M = Ge, Sn) with [MSe4](4-) tetrahedra as chelating ligand.

    PubMed

    Wang, Yingqi; Wang, Ruiqi; Liu, Qinglong; Lai, Xiaofang; Zhang, Xian; Chen, Haijie; Zheng, Chong; Lin, Jianhua; Huang, Fuqiang

    2016-05-31

    Two chromium chalcogenide Cs[Cr(en)2GeSe4] () and Cs[Cr(en)2SnSe4] () have been synthesized by a solvothermal method. Both compounds crystallize in the monoclinic space group P21/n. The structures of the two compounds are characterized by isolated [Cr(en)2MSe4](-) clusters separated by Cs(+) ions. The optical properties of the two compounds were measured which indicate a similar band gap of 1.58 eV. DFT calculations demonstrated that the valance band maximum (VBM) consist of Cr 3d orbitals and Se 4p orbitals while the conductive band minimum (CBM) are composed of Cr 3d orbitals for both compounds, which explains their similar optical band gap energies. Both compounds possess paramagnetic behaviors with the effective magnetic moment of 3.97μB for Cs[Cr(en)2GeSe4] and 3.91μB for Cs[Cr(en)2SnSe4], respectively. Field-dependent magnetization measurements demonstrated their potential as magnetocaloric materials, with the magnetic entropy change of 11.6 J (kg K)(-1) for Cs[Cr(en)2GeSe4], and 14.2 J (kg K)(-1) for Cs[Cr(en)2SnSe4].

  16. Na2 BaMQ4 (M=Ge, Sn; Q=S, Se): Infrared Nonlinear Optical Materials with Excellent Performances and that Undergo Structural Transformations.

    PubMed

    Wu, Kui; Yang, Zhihua; Pan, Shilie

    2016-06-01

    Infrared nonlinear optical (IR NLO) materials with excellent performances are particularly important in laser technology. However, to design and synthesize an efficient IR NLO material with a balance between the optical band gap and the NLO coefficient is still a huge challenge. With this in mind, four new IR NLO materials Na2 BaSnS4 , Na2 BaSnSe4 , Na2 BaGeS4 , and Na2 BaGeSe4 were successfully designed and synthesized. The compounds exhibit excellent properties with a suitable balance of band gap and NLO coefficient measured for Na2 BaSnS4 (3.27 eV and about 17×KDP, that is, about 17 times that of KH2 PO4 (KDP)) and Na2 BaGeS4 (3.7 eV and about 10×KDP), demonstrating that the systems satisfy the key requirements as promising IR NLO candidates. Remarkably, the new compounds also undergo a novel structural transformation from tetragonal to trigonal systems, the first time that this has been reported for quaternary metal chalcogenides.

  17. Na2 BaMQ4 (M=Ge, Sn; Q=S, Se): Infrared Nonlinear Optical Materials with Excellent Performances and that Undergo Structural Transformations.

    PubMed

    Wu, Kui; Yang, Zhihua; Pan, Shilie

    2016-06-01

    Infrared nonlinear optical (IR NLO) materials with excellent performances are particularly important in laser technology. However, to design and synthesize an efficient IR NLO material with a balance between the optical band gap and the NLO coefficient is still a huge challenge. With this in mind, four new IR NLO materials Na2 BaSnS4 , Na2 BaSnSe4 , Na2 BaGeS4 , and Na2 BaGeSe4 were successfully designed and synthesized. The compounds exhibit excellent properties with a suitable balance of band gap and NLO coefficient measured for Na2 BaSnS4 (3.27 eV and about 17×KDP, that is, about 17 times that of KH2 PO4 (KDP)) and Na2 BaGeS4 (3.7 eV and about 10×KDP), demonstrating that the systems satisfy the key requirements as promising IR NLO candidates. Remarkably, the new compounds also undergo a novel structural transformation from tetragonal to trigonal systems, the first time that this has been reported for quaternary metal chalcogenides. PMID:27100773

  18. Li4Ge2B as a new derivative of the Mo2B5 and Li5Sn2 structure types.

    PubMed

    Pavlyuk, Volodymyr; Ciesielski, Wojciech; Rozdzynska-Kielbik, Beata; Dmytriv, Grygoriy; Ehrenberg, Helmut

    2016-07-01

    Binary and multicomponent intermetallic compounds based on lithium and p-elements of Groups III-V of the Periodic Table are useful as modern electrode materials in lithium-ion batteries. However, the interactions between the components in the Li-Ge-B ternary system have not been reported. The structure of tetralithium digermanium boride, Li4Ge2B, exhibits a new structure type, in the noncentrosymmetric space group R3m, in which all the Li, Ge and B atoms occupy sites with 3m symmetry. The title structure is closely related to the Mo2B5 and Li5Sn2 structure types, which crystallize in the centrosymmetric space group R-3m. All the atoms in the title structure are coordinated by rhombic dodecahedra (coordination number = 14), similar to the atoms in related structures. According to electronic structure calculations using the tight-binding-linear muffin-tin orbital-atomic spheres approximation (TB-LMTO-ASA) method, strong covalent Ge-Ge and Ge-B interactions were established. PMID:27377278

  19. Li4Ge2B as a new derivative of the Mo2B5 and Li5Sn2 structure types.

    PubMed

    Pavlyuk, Volodymyr; Ciesielski, Wojciech; Rozdzynska-Kielbik, Beata; Dmytriv, Grygoriy; Ehrenberg, Helmut

    2016-07-01

    Binary and multicomponent intermetallic compounds based on lithium and p-elements of Groups III-V of the Periodic Table are useful as modern electrode materials in lithium-ion batteries. However, the interactions between the components in the Li-Ge-B ternary system have not been reported. The structure of tetralithium digermanium boride, Li4Ge2B, exhibits a new structure type, in the noncentrosymmetric space group R3m, in which all the Li, Ge and B atoms occupy sites with 3m symmetry. The title structure is closely related to the Mo2B5 and Li5Sn2 structure types, which crystallize in the centrosymmetric space group R-3m. All the atoms in the title structure are coordinated by rhombic dodecahedra (coordination number = 14), similar to the atoms in related structures. According to electronic structure calculations using the tight-binding-linear muffin-tin orbital-atomic spheres approximation (TB-LMTO-ASA) method, strong covalent Ge-Ge and Ge-B interactions were established.

  20. Thermoelectric properties of metallic antiperovskites AXD3 (A=Ge, Sn, Pb, Al, Zn, Ga; X=N, C; D=Ca, Fe, Co)

    NASA Astrophysics Data System (ADS)

    Bilal, Muhammad; Ahmad, Iftikhar; Asadabadi, Saeid Jalali; Ahmad, Rashid; Maqbool, Muhammad

    2015-05-01

    In this paper we communicate the thermoelectric properties of carbon and nitrogen based metallic antiperovskites ANCa3 (A=Ge, Sn, Pb), BCFe3 (B=Al, Zn, Ga) and SnCD3 (D=Co and Fe) using the ab-initio calculations to explore efficient metallic thermoelectric materials. The consistency of the calculated results of SnCCo3 and SnCFe3 with the experimental results confirms the reliability of our theoretical calculations for the other investigated metallic antiperovskites. The results indicate that the thermopower of these materials can be enhanced by changing the chemical potential. The dimensionless figure of merit for the three nitrides approaches 0.96 at room temperature, which proves the usefulness of these materials in thermoelectric generators. Furthermore, the thermal conductivity is minimum at room temperature for chemical potential values between -0.25 μ(eV) and 0.25 μ(eV), and provides the maximum values of dimensionless figure of merit in this range. The striking feature of these studies is identifying a metallic compound, SnNCa3, with the highest value of Seebeck coefficient at room temperature out of all metals. The results anticipate that these materials could be efficient in thermoelectric generators; however, this needs experimental verification.[Figure not available: see fulltext.

  1. Thermal and electronic charge transport in bulk nanostructured Zr{sub 0.25}Hf{sub 0.75}NiSn composites with full-Heusler inclusions

    SciTech Connect

    Makongo, Julien P.A.; Misra, Dinesh K.; Salvador, James R.; Takas, Nathan J.; Wang, Guoyu; Shabetai, Michael R.; Pant, Aditya; Paudel, Pravin; Uher, Ctirad; Stokes, Kevin L.; Poudeu, Pierre F.P.

    2011-11-15

    Bulk Zr{sub 0.25}Hf{sub 075}NiSn half-Heusler (HH) nanocomposites containing various mole fractions of full-Heusler (FH) inclusions were prepared by solid state reaction of pre-synthesized HH alloy with elemental Ni at 1073 K. The microstructures of spark plasma sintered specimens of the HH/FH nanocomposites were investigated using transmission electron microscopy and their thermoelectric properties were measured from 300 K to 775 K. The formation of coherent FH inclusions into the HH matrix arises from solid-state Ni diffusion into vacant sites of the HH structure. HH(1-y)/FH(y) composites with mole fraction of FH inclusions below the percolation threshold, y{approx}0.2, show increased electrical conductivity, reduced Seebeck coefficient and increased total thermal conductivity arising from gradual increase in the carrier concentration for composites. A drastic reduction ({approx}55%) in {kappa}{sub l} was observed for the composite with y=0.6 and is attributed to enhanced phonon scattering due to mass fluctuations between FH and HH, and high density of HH/FH interfaces. - Graphical abstract: Large reduction in the lattice thermal conductivity of bulk nanostructured half-Heusler/full-Heusler (Zr{sub 0.25}Hf{sub 075}NiSn/ Zr{sub 0.25}Hf{sub 075}Ni{sub 2}Sn) composites, obtained by solid-state diffusion at 1073 K of elemental Ni into vacant sites of the half-Heusler structure, arising from the formation of regions of spinodally decomposed HH and FH phases with a spatial composition modulation of {approx}2 nm. Highlights: > Bulk composites from solid state transformation of half-Heusler matrix through Ni diffusion. > Formation of coherent phase boundaries between half-Heusler matrix and full-Heusler inclusion. > Alteration of thermal and electronic transports with increasing full-Heusler inclusion. > Enhanced phonon scattering at half-Heusler/ full-Heusler phase boundaries.

  2. Hopping magnetotransport of the band-gap tuning Cu2Zn(Sn x Ge1-x )Se4 crystals

    NASA Astrophysics Data System (ADS)

    Lähderanta, E.; Hajdeu-Chicarosh, E.; Shakhov, M. A.; Guc, M.; Bodnar, I. V.; Arushanov, E.; Lisunov, K. G.

    2016-11-01

    Resistivity, ρ(T, x), of Cu2Zn(Sn x Ge1-x )Se4 (CZTGeSe) single crystals with x  =  0-1, investigated at temperatures between T ~ 10-320 K, exhibits an activated character within the whole temperature range, attaining a minimum at x  =  0.47. Magnetoresistance (MR) of CZTGeSe with x  =  0.26, 0.47 and 0.64 is positive (pMR) in all measured fields of B up to 20 T at any T between ~40-320 K, whereas MR of samples with x  =  0 and 1 contains a negative contribution (nMR). The dependence of ρ(T) at B  =  0 gives evidence for a nearest-neighbor hopping (NNH) conductivity in high-temperature intervals within T ~ 200-320 K depending on x, followed by the Mott variable-range hopping (VRH) charge transfer with lowering temperature. The pMR law of lnρ(B) \\propto B 2 is observed in both hopping conductivity regimes above, provided that the nMR contribution is absent or saturated. Analysis of the ρ(T) and MR data has yielded the values of the NNH activation energy and the VRH characteristic temperature, as well as those of the acceptor band width, the acceptor concentration, the localization radii of holes and the density of the localized states (DOS) at the Fermi level. All the parameters above exhibit a systematic non-monotonous dependence on x. Their extremums, lying close to x  =  0.64, correspond to the minimum of a lattice disorder along with the maximum of DOS and of the acceptor concentration, as well as a highest proximity to the metal-insulator transition.

  3. Hopping magnetotransport of the band-gap tuning Cu2Zn(Sn x Ge1-x )Se4 crystals.

    PubMed

    Lähderanta, E; Hajdeu-Chicarosh, E; Shakhov, M A; Guc, M; Bodnar, I V; Arushanov, E; Lisunov, K G

    2016-11-16

    Resistivity, ρ(T, x), of Cu2Zn(Sn x Ge1-x )Se4 (CZTGeSe) single crystals with x  =  0-1, investigated at temperatures between T ~ 10-320 K, exhibits an activated character within the whole temperature range, attaining a minimum at x  =  0.47. Magnetoresistance (MR) of CZTGeSe with x  =  0.26, 0.47 and 0.64 is positive (pMR) in all measured fields of B up to 20 T at any T between ~40-320 K, whereas MR of samples with x  =  0 and 1 contains a negative contribution (nMR). The dependence of ρ(T) at B  =  0 gives evidence for a nearest-neighbor hopping (NNH) conductivity in high-temperature intervals within T ~ 200-320 K depending on x, followed by the Mott variable-range hopping (VRH) charge transfer with lowering temperature. The pMR law of lnρ(B) [Formula: see text] B (2) is observed in both hopping conductivity regimes above, provided that the nMR contribution is absent or saturated. Analysis of the ρ(T) and MR data has yielded the values of the NNH activation energy and the VRH characteristic temperature, as well as those of the acceptor band width, the acceptor concentration, the localization radii of holes and the density of the localized states (DOS) at the Fermi level. All the parameters above exhibit a systematic non-monotonous dependence on x. Their extremums, lying close to x  =  0.64, correspond to the minimum of a lattice disorder along with the maximum of DOS and of the acceptor concentration, as well as a highest proximity to the metal-insulator transition.

  4. Hopping magnetotransport of the band-gap tuning Cu2Zn(Sn x Ge1-x )Se4 crystals.

    PubMed

    Lähderanta, E; Hajdeu-Chicarosh, E; Shakhov, M A; Guc, M; Bodnar, I V; Arushanov, E; Lisunov, K G

    2016-11-16

    Resistivity, ρ(T, x), of Cu2Zn(Sn x Ge1-x )Se4 (CZTGeSe) single crystals with x  =  0-1, investigated at temperatures between T ~ 10-320 K, exhibits an activated character within the whole temperature range, attaining a minimum at x  =  0.47. Magnetoresistance (MR) of CZTGeSe with x  =  0.26, 0.47 and 0.64 is positive (pMR) in all measured fields of B up to 20 T at any T between ~40-320 K, whereas MR of samples with x  =  0 and 1 contains a negative contribution (nMR). The dependence of ρ(T) at B  =  0 gives evidence for a nearest-neighbor hopping (NNH) conductivity in high-temperature intervals within T ~ 200-320 K depending on x, followed by the Mott variable-range hopping (VRH) charge transfer with lowering temperature. The pMR law of lnρ(B) [Formula: see text] B (2) is observed in both hopping conductivity regimes above, provided that the nMR contribution is absent or saturated. Analysis of the ρ(T) and MR data has yielded the values of the NNH activation energy and the VRH characteristic temperature, as well as those of the acceptor band width, the acceptor concentration, the localization radii of holes and the density of the localized states (DOS) at the Fermi level. All the parameters above exhibit a systematic non-monotonous dependence on x. Their extremums, lying close to x  =  0.64, correspond to the minimum of a lattice disorder along with the maximum of DOS and of the acceptor concentration, as well as a highest proximity to the metal-insulator transition. PMID:27619988

  5. Designing novel Sn-Bi, Si-C and Ge-C nanostructures, using simple theoretical chemical similarities

    NASA Astrophysics Data System (ADS)

    Zdetsis, Aristides D.

    2011-04-01

    A framework of simple, transparent and powerful concepts is presented which is based on isoelectronic (or isovalent) principles, analogies, regularities and similarities. These analogies could be considered as conceptual extensions of the periodical table of the elements, assuming that two atoms or molecules having the same number of valence electrons would be expected to have similar or homologous properties. In addition, such similar moieties should be able, in principle, to replace each other in more complex structures and nanocomposites. This is only partly true and only occurs under certain conditions which are investigated and reviewed here. When successful, these concepts are very powerful and transparent, leading to a large variety of nanomaterials based on Si and other group 14 elements, similar to well known and well studied analogous materials based on boron and carbon. Such nanomaterias designed in silico include, among many others, Si-C, Sn-Bi, Si-C and Ge-C clusters, rings, nanowheels, nanorodes, nanocages and multidecker sandwiches, as well as silicon planar rings and fullerenes similar to the analogous sp2 bonding carbon structures. It is shown that this pedagogically simple and transparent framework can lead to an endless variety of novel and functional nanomaterials with important potential applications in nanotechnology, nanomedicine and nanobiology. Some of the so called predicted structures have been already synthesized, not necessarily with the same rational and motivation. Finally, it is anticipated that such powerful and transparent rules and analogies, in addition to their predictive power, could also lead to far-reaching interpretations and a deeper understanding of already known results and information.

  6. Thermodynamic stability, magnetism and half-metallicity of Heusler alloy Co2MnX(X = Si, Ge, Sn)(1 0 0) surface

    NASA Astrophysics Data System (ADS)

    Wu, Bo; Yuan, Hongkuan; Kuang, Anlong; Chen, Hong; Feng, Yu

    2012-03-01

    The thermodynamic stability, magnetism and half-metallicity of Heusler alloy Co2MnX(X = Si, Ge, Sn)(1 0 0) surface are comprehensively investigated from the first-principles calculations. The calculated phase diagram indicates that with increasing core electrons of X atoms in Co2MnX(1 0 0) the CoCo termination will be faded out of the thermodynamic equilibrium region gradually. Due to the difference of Cosbnd X bonding the surface Co and Mn atoms prefer to move towards the slab and vacuum, respectively. By comparing with the bulk, the surface Co and Mn atomic magnetic moments (AMMs) are enhanced obviously because of the significant surface d-electronic localization. Further investigations of the partial density of states (PDOS) show that the half-metallicity observed in bulk has been destroyed by the surface states in deficient-Mn atomic terminated surface, only the terminations capped pure Mn atoms in Co2MnSi(1 0 0) and Co2MnGe(1 0 0) surfaces preserve spin-polarization of 100% instead of the Co2MnSn(1 0 0) surface, which is a possible explanation for low experimental tunnel magnetoresistance (TMR) value in Co2MnSn(1 0 0)-based magnetic tunnel junctions (TMJs).

  7. Investigating the Structural, Thermal, and Electronic Properties of the Zircon-Type ZrSiO4, ZrGeO4 and HfSiO4 Compounds

    NASA Astrophysics Data System (ADS)

    Chiker, Fafa; Boukabrine, Fatiha; Khachai, H.; Khenata, R.; Mathieu, C.; Bin Omran, S.; Syrotyuk, S. V.; Ahmed, W. K.; Murtaza, G.

    2016-11-01

    In the present study, the structural, thermal, and electronic properties of some important orthosilicate dielectrics, such as the ZrSiO4, ZrGeO4, and HfSiO4 compounds, have been investigated theoretically with the use of first-principle calculations. We attribute the application of the modified Becke-Johnson exchange potential, which is basically an improvement over the local density approximation and the Perdew-Burke-Ernzerhof exchange-correlation functional, for a better description of the band gaps of the compounds. This resulted in a good agreement with our estimated values in comparison with the reported experimental data, specifically for the ZrSiO4, and HfSiO4 compounds. Conversely, for the ZrGeO4 compound, the calculated electronic band structure shows a direct band gap at the Γ point with the value of 5.79 eV. Furthermore, our evaluated thermal properties that are calculated by using the quasi-harmonic Debye model indicated that the volume variation with temperature is higher in the ZrGeO4 compound as compared to both the ZrSiO4 and HfSiO4 compounds, which is ascribed to the difference between the electron shells of the Si and Ge atoms. Therefore, these results also indicate that while the entropy ( S) and enthalpy ( U) parameters increase monotonically, the free energy ( G), in contrast, decreases monotonically with increasing temperature, respectively. Moreover, the pressure and temperature dependencies of the Debye temperature Θ, thermal expansion coefficient, and heat capacities C V were also predicted in our study.

  8. Investigating the Structural, Thermal, and Electronic Properties of the Zircon-Type ZrSiO4, ZrGeO4 and HfSiO4 Compounds

    NASA Astrophysics Data System (ADS)

    Chiker, Fafa; Boukabrine, Fatiha; Khachai, H.; Khenata, R.; Mathieu, C.; Bin Omran, S.; Syrotyuk, S. V.; Ahmed, W. K.; Murtaza, G.

    2016-07-01

    In the present study, the structural, thermal, and electronic properties of some important orthosilicate dielectrics, such as the ZrSiO4, ZrGeO4, and HfSiO4 compounds, have been investigated theoretically with the use of first-principle calculations. We attribute the application of the modified Becke-Johnson exchange potential, which is basically an improvement over the local density approximation and the Perdew-Burke-Ernzerhof exchange-correlation functional, for a better description of the band gaps of the compounds. This resulted in a good agreement with our estimated values in comparison with the reported experimental data, specifically for the ZrSiO4, and HfSiO4 compounds. Conversely, for the ZrGeO4 compound, the calculated electronic band structure shows a direct band gap at the Γ point with the value of 5.79 eV. Furthermore, our evaluated thermal properties that are calculated by using the quasi-harmonic Debye model indicated that the volume variation with temperature is higher in the ZrGeO4 compound as compared to both the ZrSiO4 and HfSiO4 compounds, which is ascribed to the difference between the electron shells of the Si and Ge atoms. Therefore, these results also indicate that while the entropy (S) and enthalpy (U) parameters increase monotonically, the free energy (G), in contrast, decreases monotonically with increasing temperature, respectively. Moreover, the pressure and temperature dependencies of the Debye temperature Θ, thermal expansion coefficient, and heat capacities C V were also predicted in our study.

  9. Electronic band structure of compressively strained Ge{sub 1−x}Sn{sub x} with x < 0.11 studied by contactless electroreflectance

    SciTech Connect

    Zelazna, K.; Polak, M. P.; Scharoch, P.; Gladysiewicz, M.; Misiewicz, J.; Kudrawiec, R.; Serafinczuk, J.

    2015-04-06

    Contactless electroreflectance is applied to study direct optical transitions from the heavy hole, light hole, and spin-orbit split-off band to the conduction band in compressively strained Ge{sub 1−x}Sn{sub x} layers of various Sn concentrations at room temperature. It is shown that the energies of these transitions are in very good agreement with theoretical predictions, which take into account non-linear variation of bandgap and spin-orbit splitting plus the strain-related shifts obtained from the Bir-Pikus theory. The bowing parameter for the direct bandgap has been determined to be 1.8 ± 0.2 eV and agree with this one obtained within ab initio calculations, which is 1.97 eV (for indirect bandgap the bowing parameter is 0.26 eV)

  10. Infrared nonlinear optical properties of lithium-containing diamond-like semiconductors Li2ZnGeSe4 and Li2ZnSnSe4.

    PubMed

    Zhang, Jian-Han; Clark, Daniel J; Brant, Jacilynn A; Sinagra, Charles W; Kim, Yong Soo; Jang, Joon I; Aitken, Jennifer A

    2015-06-28

    Two new lithium-containing diamond-like semiconductors, Li2ZnGeSe4 and Li2ZnSnSe4, have been prepared by high-temperature, solid-state synthesis. Single crystal X-ray diffraction reveals that both compounds adopt the wurtz-kesterite structure type, crystallizing in the noncentrosymmetric space group Pn. X-ray powder diffraction coupled with Rietveld refinement indicates the high degree of phase purity in which the materials are prepared. Both compounds display optical bandgaps around 1.8 eV, wide optical transparency windows from 0.7 to 25 μm and type-I phase matched second harmonic generation starting at 2500 nm and persisting deeper into the infrared. Using the Kurtz powder method, the second-order nonlinear optical coefficient, χ((2)), was estimated to be 19 and 23 pm V(-1) for Li2ZnGeSe4 and Li2ZnSnSe4, respectively. Using a 1064 nm incident laser beam with a pulse width (τ) of 30 ps both compounds exhibit a laser damage threshold of 0.3 GW cm(-2), which is higher than that of the AgGaSe2 reference material measured under identical conditions. Differential thermal analysis shows that the title compounds are stable up to 684 and 736 °C, respectively. These properties collectively demonstrate that Li2ZnGeSe4 and Li2ZnSnSe4 have great potential for applications in tunable laser systems, especially in the infrared and even up to the terahertz regime. Electronic structure calculations using a plane-wave pseudopotential method within density functional theory provide insight regarding the nature of the bandgap and bonding. PMID:26006322

  11. Hybrid surface roughening modes during low-temperature heteroepitaxy: Growth of fully-strained metastable Ge{sub 1-x}Sn{sub x} alloys on Ge(001)2x1

    SciTech Connect

    Desjardins, P.; Spila, T.; Guerdal, O.; Taylor, N.; Greene, J. E.

    1999-12-15

    Fully-strained single-crystal metastable Ge{sub 1-x}Sn{sub x} alloys were grown on Ge(001) up to their critical epitaxial thickness values t{sub epi}(x) in order to probe surface roughening pathways leading to heteroepitaxial breakdown during low-temperature molecular-beam epitaxy under large compressive strain. All films with x>0.09 have comparable roughnesses while films with x<0.09 are considerably rougher with larger lateral feature sizes. Roughening rates increase with increasing x for films with x>0.09 due to a new hybrid relaxation path which only becomes accessible under high strain as kinetic roughening provides surface oscillations on lateral length scales that allow bulk relaxation through strain-induced islanding at growth temperatures where it could not otherwise proceed. (c) 1999 The American Physical Society.

  12. Amino group combined P/Ge and P/Sn Lewis pairs: synthesis and dipolar addition reactions to alkyne and aldehyde molecules.

    PubMed

    Yu, Ying; Li, Jiancheng; Liu, Weiping; Ye, Qingsong; Zhu, Hongping

    2016-04-14

    Amino group combined P/Ge-based frustrated Lewis pairs (FLPs) Ph2PN(R)GeCl3 (R = 2,6-iPr2C6H3 (1), 2,4,6-Me3C6H2 (2), and C6H11 (3)) and Ph2PN(2,6-iPr2C6H3)GeMe3 (4) as well as P/Sn-based FLP Ph2PN(2,6-iPr2C6H3)SnMe3 (5) were prepared and utilized for reactions with alkyne and aldehyde molecules. Compounds 1-3 each reacted with MeO2CC[triple bond, length as m-dash]CCO2Me to give zwitterionic cyclic vinyls [Ph2PN(R)GeCl3](MeO2CC[double bond, length as m-dash]CCO2Me) (6-8) and compound 1 reacted with HC[triple bond, length as m-dash]CCO2Me to give the similar compound [Ph2PN(2,4,6-Me3C6H2)GeCl3](HC[double bond, length as m-dash]CCO2Me) (9). Compound 4 reacted with RC[triple bond, length as m-dash]CCO2Me to afford acyclic vinyls 2,6-iPr2C6H3N[double bond, length as m-dash]P(Ph2)C(R)[double bond, length as m-dash]C(CO2Me)GeMe3 (R = CO2Me (10), H (11)) and 5 reacted with MeO2CC[triple bond, length as m-dash]CCO2Me to give 2,6-iPr2C6H3N[double bond, length as m-dash]P(Ph2)C(CO2Me)[double bond, length as m-dash]C(CO2Me)SnMe3 (12). The reactions of 1 with CH3CH2CHO and 1,4-(CHO)2C6H4 were also investigated and yielded novel zwitterionic OCPNGe five-heteroatom cycles [Ph2PN(2,6-iPr2C6H3)GeCl3][CH(CH2CH3)O] (13) and [Ph2PN(2,6-iPr2C6H3)GeCl3][p-(OCH)C6H4CHO][Cl3GeN(2,6-iPr2C6H3)PPh2] (14). Compounds 1-14 were characterized by NMR ((1)H, (13)C, and (31)P) and CHN elemental analysis, of which 1, 7, and 10-14 were further studied by X-ray crystallography. The reactions of 4 (or 5) with RC[triple bond, length as m-dash]CCO2Me to produce 10-12 present a novel way of obtaining the germyl (or stannyl) and iminophosphoranyl co-substituted vinyls.

  13. Amino group combined P/Ge and P/Sn Lewis pairs: synthesis and dipolar addition reactions to alkyne and aldehyde molecules.

    PubMed

    Yu, Ying; Li, Jiancheng; Liu, Weiping; Ye, Qingsong; Zhu, Hongping

    2016-04-14

    Amino group combined P/Ge-based frustrated Lewis pairs (FLPs) Ph2PN(R)GeCl3 (R = 2,6-iPr2C6H3 (1), 2,4,6-Me3C6H2 (2), and C6H11 (3)) and Ph2PN(2,6-iPr2C6H3)GeMe3 (4) as well as P/Sn-based FLP Ph2PN(2,6-iPr2C6H3)SnMe3 (5) were prepared and utilized for reactions with alkyne and aldehyde molecules. Compounds 1-3 each reacted with MeO2CC[triple bond, length as m-dash]CCO2Me to give zwitterionic cyclic vinyls [Ph2PN(R)GeCl3](MeO2CC[double bond, length as m-dash]CCO2Me) (6-8) and compound 1 reacted with HC[triple bond, length as m-dash]CCO2Me to give the similar compound [Ph2PN(2,4,6-Me3C6H2)GeCl3](HC[double bond, length as m-dash]CCO2Me) (9). Compound 4 reacted with RC[triple bond, length as m-dash]CCO2Me to afford acyclic vinyls 2,6-iPr2C6H3N[double bond, length as m-dash]P(Ph2)C(R)[double bond, length as m-dash]C(CO2Me)GeMe3 (R = CO2Me (10), H (11)) and 5 reacted with MeO2CC[triple bond, length as m-dash]CCO2Me to give 2,6-iPr2C6H3N[double bond, length as m-dash]P(Ph2)C(CO2Me)[double bond, length as m-dash]C(CO2Me)SnMe3 (12). The reactions of 1 with CH3CH2CHO and 1,4-(CHO)2C6H4 were also investigated and yielded novel zwitterionic OCPNGe five-heteroatom cycles [Ph2PN(2,6-iPr2C6H3)GeCl3][CH(CH2CH3)O] (13) and [Ph2PN(2,6-iPr2C6H3)GeCl3][p-(OCH)C6H4CHO][Cl3GeN(2,6-iPr2C6H3)PPh2] (14). Compounds 1-14 were characterized by NMR ((1)H, (13)C, and (31)P) and CHN elemental analysis, of which 1, 7, and 10-14 were further studied by X-ray crystallography. The reactions of 4 (or 5) with RC[triple bond, length as m-dash]CCO2Me to produce 10-12 present a novel way of obtaining the germyl (or stannyl) and iminophosphoranyl co-substituted vinyls. PMID:26658532

  14. Three-Dimensional Assignment of the Structures of Atomic Clusters: an Example of Au8M (M=Si, Ge, Sn) Anion Clusters.

    PubMed

    Liu, Yi-Rong; Huang, Teng; Gai, Yan-Bo; Zhang, Yang; Feng, Ya-Juan; Huang, Wei

    2015-12-03

    Identification of different isomer structures of atomic and molecular clusters has long been a challenging task in the field of cluster science. Here we present a three-dimensional (3D) assignment method, combining the energy (1D) and simulated (2D) spectra to assure the assignment of the global minimum structure. This method is more accurate and convenient than traditional methods, which only consider the total energy and first vertical detachment energies (VDEs) of anion clusters. There are two prerequisites when the 3D assignment method is ultilized. First, a reliable global minimum search algorithm is necessary to explore enough valleys on the potential energy surface. Second, trustworthy simulated spectra are necessary, that is to say, spectra that are in quantitative agreement. In this paper, we demonstrate the validity of the 3D assignment method using Au8M(-) (M=Si, Ge, Sn) systems. Results from this study indicate that the global minimum structures of Au8Ge(-) and Au8Sn(-) clusters are different from those described in previous studies.

  15. First principle study of structural, electronic and magnetic properties of half-Heusler IrCrZ (Z=Ge, As, sn and sb) compounds

    NASA Astrophysics Data System (ADS)

    Allaf Behbahani, Marzieh; Moradi, Mahmood; Rostami, Mohammad; Davatolhagh, Saeed

    2016-05-01

    First-principle calculations based on the density functional theory for new half-Heusler IrCrZ (Z=Ge, As, Sn and Sb) alloys are performed. It is found that the half-Heusler IrCrGe and IrCrSn compounds have an antiferromagnetic ground state while the ferromagnetic state is more stable than the antiferromagnetic and non-magnetic states for both IrCrAs and IrCrSb compounds. IrCrAs and IrCrSb exhibit half-metallic property with integer magnetic moments of 2.00 μB per formula unit and half-metallic gaps of 0.28 and 0.27 eV at their equilibrium volume, respectively. In addition, the density of states (DOSs) and band structures of IrCrAs and IrCrSb compounds are studied and the origin of their half-metallic gaps are discussed in detail. The estimation of Curie temperatures of IrCrAs and IrCrSb compounds is performed within the mean field approximation (MFA). The Curie temperatures of IrCrAs and IrCrSb are estimated to be 1083 and 1470 K, respectively. The stability of the half-metallicity in IrCrAs and IrCrSb compounds with the variation of lattice constant are also investigated.

  16. Sign of canted ferromagnetism in the quasicrystal approximants Au-SM-R (SM = Si, Ge and Sn / R = Tb, Dy and Ho).

    PubMed

    Hiroto, T; Tokiwa, K; Tamura, R

    2014-05-28

    Magnetic susceptibility and magnetization of the quasicrystal approximants Au-SM-R (SM = Si, Ge or Sn / R = Gd, Tb, Dy or Ho) are investigated. Ferromagnetic transitions are observed in all of these compounds, in contrast to the spin-glass behavior reported in similar compounds, Ag-In-R (R = Eu, Gd, Tb or Dy). Au-SM-Gd (SM = Si, Ge or Sn) exhibit a simple ferromagnetic transition at 22.5, 13 and 9 K, respectively, whereas Au-Si-(Tb, Dy or Ho) show indications of a canted ferromagnetic transition at 8.3, 5.9 and 3.8 K, respectively. The latter are attributed to a crystal electric field effect that is absent in the Gd-bearing compounds. The ferromagnetic behavior in Au-SM-R may be understood to be a consequence of the short R-R distances compared to those for Cd-R and Ag-In-R.

  17. Three-Dimensional Assignment of the Structures of Atomic Clusters: an Example of Au8M (M=Si, Ge, Sn) Anion Clusters

    NASA Astrophysics Data System (ADS)

    Liu, Yi-Rong; Huang, Teng; Gai, Yan-Bo; Zhang, Yang; Feng, Ya-Juan; Huang, Wei

    2015-12-01

    Identification of different isomer structures of atomic and molecular clusters has long been a challenging task in the field of cluster science. Here we present a three-dimensional (3D) assignment method, combining the energy (1D) and simulated (2D) spectra to assure the assignment of the global minimum structure. This method is more accurate and convenient than traditional methods, which only consider the total energy and first vertical detachment energies (VDEs) of anion clusters. There are two prerequisites when the 3D assignment method is ultilized. First, a reliable global minimum search algorithm is necessary to explore enough valleys on the potential energy surface. Second, trustworthy simulated spectra are necessary, that is to say, spectra that are in quantitative agreement. In this paper, we demonstrate the validity of the 3D assignment method using Au8M- (M = Si, Ge, Sn) systems. Results from this study indicate that the global minimum structures of Au8Ge- and Au8Sn- clusters are different from those described in previous studies.

  18. New members of the A{sub 2}M′M{sub 2}{sup ″} structure family (A=Ca, Sr, Yb, La; M′=In,Sn,Pb; M″=Si,Ge)

    SciTech Connect

    Jehle, Michael; Dürr, Ines; Fink, Saskia; Lang, Britta; Langenmaier, Michael; Steckhan, Julia; Röhr, Caroline

    2015-01-15

    The new mixed tetrelides Sr{sub 2}PbGe{sub 2} and Yb{sub 2}SnGe{sub 2}, several mixed Ca/Sr (A{sup II}) germanides A{sub 2}{sup II}(Sn,Pb)Ge{sub 2} and two polymorphs of La{sub 2}InSi{sub 2} represent new members of the general structure family of ternary alkaline-earth/lanthanoid main group silicides/germanides A{sub 2}M′M{sub 2}{sup ″}(M′=In,Sn,Pb;M″=Si,Ge). All compounds were synthesized from melts of the elements and their crystal structures have been determined by means of single crystal X-ray diffraction. Sr{sub 2}PbGe{sub 2} (Cmmm, a=402.36(11), b=1542.3(4), c=463.27(10) pm) crystallizes with the Mn{sub 2}AlB{sub 2}-type structure. In exhibiting infinite planar Ge zig-zag chains, it represents one border of the compound series. The other borderline case, where only [Ge{sub 2}] dumbbells are left as Ge building units, is represented by the Ca/Yb tin germanides Ca{sub 2}SnGe{sub 2} and Yb{sub 2}SnGe{sub 2} (Mo{sub 2}FeB{sub 2}-type; P4/mbm, a=748.58(13)/740.27(7), c=445.59(8)/435.26(5) pm). In between these two border structures compounds with variable Si/Ge chain lengths could be obtained by varying the averaged size of the A{sup II} cations: Ca{sub 0.45}Sr{sub 1.55}PbGe{sub 2} (new structure type; Pbam, a=791.64(5), b=2311.2(2), c=458.53(3) pm) contains planar six-membered chain segments [Ge{sub 6}]. Tetrameric pieces [Ge{sub 4}] are the conspicuous structure elements in Ca{sub 1.16}Sr{sub 0.84}SnGe{sub 2} and La{sub 2}InSi{sub 2} (La{sub 2}InNi{sub 2}-type; Pbam, a=781.01(2)/762.01(13), b=1477.95(3)/1494.38(6), c=457.004(9)/442.1(3) pm). The tetragonal form of ’La{sub 2}InSi{sub 2}{sup ′} (exact composition: La{sub 2}In{sub 1.07}Si{sub 1.93}, P4/mbm, a=1309.11(12), c=443.32(4) pm) also crystallizes in a new structure type, containing only [Si{sub 3}] trimers as cutouts of the planar chains. In all structures the Si/Ge zig-zag chains/chain segments are connected by In/Sn/Pb atoms to form planar M layers, which are separated by pure A layers. Band

  19. Enhancement of thermoelectric figure-of-merit at low temperatures by titanium substitution for hafnium in n-type half-Heuslers Hf0.75-xTixZr0.25NiSn0.99Sb0.01

    SciTech Connect

    Joshi, Giri; Dahal, Tulashi; Chen, Shuo; Wang, Hengzhi Z; Shiomi, Junichiro; Chen, Gang; Ren, Zhifeng F.

    2012-08-08

    The effect of titanium (Ti) substitution for hafnium (Hf) on thermoelectric properties of (Hf, Zr)-based n-type half-Heuslers: Hf0.75-xTixZr0.25NiSn0.99Sb0.01, has been studied. The samples are made by arc melting followed by ball milling and hot pressing via the nanostructuring approach. A peak thermoelectric figure-of-merit (ZT) of ~1.0 is achieved at 500 °C in samples with a composition of Hf0.5Zr0.25Ti0.25NiSn0.99Sb0.01 due to a slight increase in carrier concentration and also a lower thermal conductivity caused by Ti. TheZT values below 500 °C of hot pressed Hf0.5Zr0.25Ti0.25NiSn0.99Sb0.01 samples are significantly higher than those of the same way prepared Hf0.75Zr0.25NiSn0.99Sb0.01samples at each temperature, which are very much desired for mid-range temperature applications such as waste heat recovery in automobiles.

  20. Multinuclear Alkali Metal Complexes of a Triphenylene-Based Hexamine and the Transmetalation to Tris(N-heterocyclic tetrylenes) (Ge, Sn, Pb).

    PubMed

    Zhong, Fei; Yang, Xiaodong; Shen, Lingyi; Zhao, Yanxia; Ma, Hongwei; Wu, Biao; Yang, Xiao-Juan

    2016-09-01

    A C3-symmetric hexamine (LH6) based on the triphenylene and ortho-phenylenediamine (PDAH2) skeletons has been synthesized, and was partially or fully deprotonated upon treatment with alkali metal agents to afford amino-amido or diamido coordination sites. Four alkali metal complexes, the dinuclear [Na2(LH4)(DME)5] (1) and [K2(LH4)(DME)4] (2), trinuclear [K3(LH3)(DME)6] (3), and hexanuclear [Li6(L)(DME)6] (4), were obtained and used in transmetalation/ligand exchange with other metals. The hexalithium salt of the fully deprotonated ligand, [Li6L], reacted with heavier group 14 element halides to yield three tris(N-heterocyclic tetrylenes), the germylene [Ge3(L)] (5), stannylene [Sn3(L)] (6), and plumbylene [Pb3(L)] (7). The synthesis and crystal and electronic structures of these compounds are reported. PMID:27525542

  1. High-Temperature Vaporization Behavior of Oxides II. Oxides of Be, Mg, Ca, Sr, Ba, B, Al, Ga, In, Tl, Si, Ge, Sn, Pb, Zn, Cd, and Hg

    NASA Astrophysics Data System (ADS)

    Lamoreaux, R. H.; Hildenbrand, D. L.; Brewer, L.

    1987-07-01

    In order to assess the high-temperature vaporization behavior and equilibrium gas phase compositions over the condensed oxides of Be, Mg, Ca, Sr, Ba, B, Al, Ga, In, Tl, Si, Ge, Sn, Pb, Zn, Cd, and Hg, the relevant thermodynamic and molecular constant data have been compiled and critically evaluated. Selected values of the Gibbs energy functions of condensed and vapor phases are given in the form of equations valid over wide temperature ranges, along with the standard entropies and enthalpies of formation. These data were used to generate plots of equilibrium partial pressures of vapor species as functions of temperature for representative environmental conditions ranging from reducing to oxidizing. The calculated partial pressures and compositions agree, for the most part, with experimental results obtained under comparable conditions. Maximum vaporization rates have been calculated using the Hertz-Knudsen equation. Literature references are given.

  2. Vibrationally high-resolved electronic spectra of MCl2 (M = C, Si, Ge, Sn, Pb) and photoelectron spectra of MCl2-

    NASA Astrophysics Data System (ADS)

    Ran, Yibin; Pang, Min; Shen, Wei; Li, Ming; He, Rongxing

    2016-10-01

    We systematically studied the vibrational-resolved electronic spectra of group IV dichlorides using the Franck-Condon approximation combined with the Duschinsky and Herzberg-Teller effects in harmonic and anharmonic frameworks (only the simulation of absorption spectra includes the anharmonicity). Calculated results showed that the band shapes of simulated spectra are in accordance with those of the corresponding experimental or theoretical ones. We found that the symmetric bend mode in progression of absorption is the most active one, whereas the main contributor in photoelectron spectra is the symmetric stretching mode. Moreover, the Duschinsky and anharmonic effects exert weak influence on the absorption spectra, except for PbCl2 molecule. The theoretical insights presented in this work are significant in understanding the photophysical properties of MCl2 (M = C, Si, Ge, Sn, Pb) and studying the Herzberg-Teller and the anharmonic effects on the absorption spectra of new dichlorides of this main group.

  3. MAX phase - Alumina composites via elemental and exchange reactions in the Tin+1ACn systems (A=Al, Si, Ga, Ge, In and Sn)

    NASA Astrophysics Data System (ADS)

    Cuskelly, Dylan; Richards, Erin; Kisi, Erich

    2016-05-01

    Extension of the aluminothermal exchange reaction synthesis of Mn+1AXn phases to systems where the element 'A' is not the reducing agent was investigated in systems TiO2-A-Al-C for A=Al, Si, Ga, Ge, In and Sn as well as Cr2O3-Ga-Al-C. MAX phase-Al2O3 composites were made in all systems except those with A=Ga or In. The effectiveness of conversion to MAX phases was generally in the range 63-96% without optimisation of starting ratios. Optimisation in the Ti-Si-C system gave a MAX phase component with >98% Ti3SiC2.

  4. All-electron molecular Dirac-Hartree-Fock calculations: Properties of the group IV monoxides GeO, SnO and PbO

    NASA Technical Reports Server (NTRS)

    Dyall, Kenneth G.

    1991-01-01

    Dirac-Hartree-Fock calculations have been carried out on the ground states of the group IV monoxides GeO, SnO and PbO. Geometries, dipole moments and infrared data are presented. For comparison, nonrelativistic, first-order perturbation and relativistic effective core potential calculations have also been carried out. Where appropriate the results are compared with the experimental data and previous calculations. Spin-orbit effects are of great importance for PbO, where first-order perturbation theory including only the mass-velocity and Darwin terms is inadequate to predict the relativistic corrections to the properties. The relativistic effective core potential results show a larger deviation from the all-electron values than for the hydrides, and confirm the conclusions drawn on the basis of the hydride calculations.

  5. Nonlinear structure-composition relationships in the Ge1-ySny/Si(100) (y<0.15) system

    SciTech Connect

    Beeler, R.; Roucka, R.; Chizmeshya, A. V. G.; Kouvetakis, J.; Menéndez, J.

    2011-07-26

    The compositional dependence of the cubic lattice parameter in Ge1-ySny alloys has been revisited. Large 1000-atom supercell ab initio simulations confirm earlier theoretical predictions that indicate a positive quadratic deviation from Vegard's law, albeit with a somewhat smaller bowing coefficient, θ = 0.047 Å, than found from 64-atom cell simulations (θ = 0.063 Å). On the other hand, measurements from an extensive set of alloy samples with compositions y < 0.15 reveal a negative deviation from Vegard's law. The discrepancy with earlier experimental data, which supported the theoretical results, is traced back to an unexpected compositional dependence of the residual strain after growth on Si substrates. The experimental bowing parameter for the relaxed lattice constant of the alloys is found to be θ = -0.066 Å. Possible reasons for the disagreement between theory and experiment are discussed in detail.

  6. Elastic and electronic properties of the Ti{sub 5}X{sub 3} (X=Si, Ge, Sn, Pb) compounds from first-principles calculations

    SciTech Connect

    Chen, Xiao-Jun; Mo, Zhou-Sheng; Wang, Ren-Nian; Zeng, Meng-Xue; Tang, Bi-Yu; Peng, Li-Ming; Ding, Wen-Jiang

    2012-10-15

    The structural stabilities, elastic and electronic properties of Ti{sub 5}X{sub 3} (X=Si, Ge, Sn, Pb) compounds with D8{sub 8} structure have been systematically investigated within the frame work of density functional theory. With increase of atomic number of the element X, the calculated lattice constants of Ti{sub 5}X{sub 3} compounds are found to increase, while stabilities of these compounds decrease because the formation enthalpies increase. Moreover, with exception of C{sub 12}, the calculated elastic constants C{sub ij} are reduced with increase of atomic number of element X, the bulk, shear, Young's modulus and Debye temperature are also lowered, while Poisson's ratio is larger, and the ductility is slightly improved. The elastic anisotropies were further studied, especially the 3D direction dependence of these elastic modulus was visually described. The density of states and charge density distribution reveal bonding feature of Ti{sub 5}X{sub 3}. Especially, the X-X and Ti-X covalent bonding strength is found to decrease with increase of atomic number of element X. - Graphical abstract: The charge density contour plots on the (0 0 0 1) plane for Ti{sub 5}Si{sub 3} (a), Ti{sub 5}Ge{sub 3} (b), Ti{sub 5}Sn{sub 3} (c) and Ti{sub 5}Pb{sub 3} (d). Highlights: Black-Right-Pointing-Pointer The elastic constants except C{sub 12} were lowered with increase of atomic number of X. Black-Right-Pointing-Pointer The bulk and shear modulus as well as Young's modulus was also decreased. Black-Right-Pointing-Pointer The elastic anisotropies of Ti{sub 5}X{sub 3} were further studied visually. Black-Right-Pointing-Pointer The X-X and Ti-X covalent bonding strength was lowered.

  7. Origin of the granites and related Sn and Pb-Zn polymetallic ore deposits in the Pengshan district, Jiangxi Province, South China: constraints from geochronology, geochemistry, mineral chemistry, and Sr-Nd-Hf-Pb-S isotopes

    NASA Astrophysics Data System (ADS)

    Xu, Bin; Jiang, Shao-Yong; Luo, Lan; Zhao, Kui-Dong; Ma, Liang

    2016-05-01

    The Pengshan Sn and Pb-Zn polymetallic deposits are located in the south margin of the Jiujiang-Ruichang (Jiurui) district of the Middle-Lower Yangtze River Metallogenic Belt in South China. Four large deposits include Huangjinwa, Zengjialong, Jianfengpo, and Zhangshiba, the former three are Sn-dominant deposits which occur as stratiform orebodies in the contact zones of the Pengshan granites and within the country rock strata, whereas Zhangshiba consists of stratiform Pb-Zn orebodies within the Precambrian metasedimentary strata. In this study, we present results on zircon U-Pb ages, major and trace elements, and mineral chemistry as well as Sr-Nd-Hf isotope data of the granites, Pb and S isotopes of both the Sn-dominant and Pb-Zn dominant deposits, and U-Pb dating of cassiterite from the Pengshan district. SHRIMP and LA-ICP-MS zircon U-Pb dating shows that the Pengshan granites were emplaced in the Early Cretaceous (129-128 Ma), which is in good agreement with the U-Pb dating (130-128 Ma) of cassiterite from the Jianfengpo Sn deposit. The Pengshan granites consist mainly of weakly peraluminous highly fractionated I-type affinity granitic rocks. Detailed elemental and isotopic data suggest that the granites formed by partial melting of Mesoproterozoic metamorphic basement materials with minor input of mantle-derived melts. The mineral chemistry of biotite demonstrates that the Pengshan granitic magma had a low oxygen fugacity, thereby precluding the tin dominantly partitioning into the rock-forming silicate minerals and favoring accumulation in the exsolved residual liquid during magma crystallization stages. Sulfur isotopes show a relatively heavy sulfur isotopic composition from 5.8 to 17.6 ‰, and no difference for sulfur isotopes between the Sn deposits (5.8-13.4 ‰, Huangjinwa, Zengjialong, Jianfengpo) and the Pb-Zn deposit (mostly 7.1-13.0 ‰, except for one 17.6 ‰, Zhangshiba). The sulfur isotope data of pyrite from the host sedimentary rocks show

  8. Critical current density of Nb3Sn wires after irradiation with 65MeV and 24GeV protons

    NASA Astrophysics Data System (ADS)

    Spina, T.; Scheuerlein, C.; Richter, D.; Bottura, L.; Ballarino, A.; Flükiger, R.

    2014-05-01

    Industrial Nb3Sn wires with Ti and Ta additives (RRP process) and with Ta additives (PIT process) with a diameter of 1 mm have been irradiated at room temperature with protons of 65 MeV and of 24 GeV at various fluences up to 1×1021 p/m2. A steady increase of Jc vs. fluence was observed for all the wires up to the highest fluence. The observed increase of Jc at 4.2K in all wires was quite similar in spite of the very different proton energies. With increasing fluence. the radiation induced pinning force was found to increase. the enhancement Jc/Jco after 5.04×1020 p/m2 reaching 1.4 for Ta and 1.8 for Ti alloyed wires at 10T. The present results were quantitatively analysed by assuming a radiation induced point pinning mechanism in addition to grain boundary pinning. The results are compared with those of an ongoing neutron irradiation study undertaken on the same Nb3Sn wires in collaboration with the Atominstitut Vienna. Proton irradiation was found to produce considerably higher damage than neutron irradiation.

  9. TbNb6Sn6: the first ternary compound from the rare earth–niobium–tin system

    PubMed Central

    Oshchapovsky, Igor; Pavlyuk, Volodymyr; Fässler, Thomas F.; Hlukhyy, Viktor

    2010-01-01

    The title compound, terbium hexa­niobium hexastannide, TbNb6Sn6, is the first ternary compound from the rare earth–niobium–tin system. It has the HfFe6Ge6 structure type, which can be analysed as an inter­growth of the Zr4Al3 and CaCu5 structures. All the atoms lie on special positions; their coordination geometries and site symmetries are: Tb (dodeca­hedron) 6/mmm; Nb (distorted icosa­hedron) 2mm; Sn (Frank–Caspar polyhedron, CN = 14–15) 6mm and m2; Sn (distorted icosa­hedron) m2. The structure contains a graphite-type Sn network, Kagome nets of Nb atoms, and Tb atoms alternating with Sn2 dumbbells in the channels. PMID:21589205

  10. Unraveling the origin of the relative stabilities of group 14 M2N2(2+) (M, N = C, Si, Ge, Sn, and Pb) isomer clusters.

    PubMed

    Díaz-Cervantes, Erik; Poater, Jordi; Robles, Juvencio; Swart, Marcel; Solà, Miquel

    2013-10-10

    We analyze the molecular structure, relative stability, and aromaticity of the lowest-lying isomers of group 14 M2N2(2+) (M and N = C, Si, and Ge) clusters. We use the gradient embedded genetic algorithm to make an exhaustive search for all possible isomers. Group 14 M2N2(2+) clusters are isoelectronic with the previously studied group 13 M2N2(2-) (M and N = B, Al, and Ga) clusters that includes Al4(2-), the archetypal all-metal aromatic molecule. In the two groups of clusters, the cyclic isomers present both σ- and π-aromaticity. However, at variance with group 13 M2N2(2-) clusters, the linear isomer of group 14 M2N2(2+) is the most stable for two of the clusters (C2Si2(2+) and C2Ge2(2+)) , and it is isoenergetic with the cyclic D(4h) isomer in the case of C4(2+). Energy decomposition analyses of the lowest-lying isomers and the calculated magnetic- and electronic-based aromaticity criteria of the cyclic isomers help to understand the nature of the bonding and the origin of the stability of the global minima. Finally, for completeness, we have also analyzed the structure and stability of the heavier Sn and Pb group 14 M2N2(2+) analogues.

  11. Reaction Mechanism of the Hydrogermylation/Hydrostannylation of Unactivated Alkenes with Two-Coordinate E(II) Hydrides (E=Ge, Sn): A Theoretical Study.

    PubMed

    Zhao, Lili; Hermann, Markus; Jones, Cameron; Frenking, Gernot

    2016-08-01

    Quantum chemical calculations using density functional theory with the TPSS+D3(BJ) and M06-2X+D3(ABC) functionals have been carried out to understand the mechanisms of catalyst-free hydrogermylation/hydrostannylation reactions between the two-coordinate hydrido-tetrylenes :E(H)(L(+) ) (E=Ge or Sn, L(+) =N(Ar(+) )(SiiPr3 ); Ar(+) =C6 H2 {C(H)Ph2 }2 iPr-2,6,4) and a range of unactivated terminal (C2 H3 R, R=H, Ph, or tBu) and cyclic [(CH)2 (CH2 )2 (CH2 )n , n=1, 2, or 4] alkenes. The calculations suggest that the addition reactions of the germylenes and stannylenes to the cyclic and acyclic alkenes occur as one-step processes through formal [2+2] addition of the E-H fragment across the C-C π bond. The reactions have moderate barriers and are weakly exergonic. The steric bulk of the tetrylene amido groups has little influence on the activation barriers and on the reaction energies of the anti-Markovnikov pathway, but the Markovnikov addition is clearly disfavored by the size of the substituents. The addition of the tetrylenes to the cyclic alkenes is less exergonic than the addition to the terminal alkenes, which agrees with the experimentally observed reversibility of the former reactions. The hydrogermylation reactions have lower activation energies and are more exergonic than the stannylene addition. An energy decomposition analysis of the transition state for the hydrogermylation of cyclohexene shows that the reaction takes place with simultaneous formation of the Ge-C and (Ge)H-C' bonds. The dominant orbitals of the germylene are the σ-type lone pair MO of Ge, which serves as a donor orbital, and the vacant p(π) MO of Ge, which acts as acceptor orbital for the π* and π MOs of the olefin. Inspection of the transition states of some selected reactions suggests that the differences between the activation energies come from a delicate balance between the deformation energies of the interacting species and their interaction energies. PMID:27403941

  12. Phase Stability and Electronic Structure of In-Free Photovoltaic Materials: Cu2ZnSiSe4, Cu2ZnGeSe4, and Cu2ZnSnSe4

    NASA Astrophysics Data System (ADS)

    Nakamura, Satoshi; Maeda, Tsuyoshi; Wada, Takahiro

    2010-12-01

    We have theoretically evaluated phase stability and electronic structure of Cu2ZnSiSe4 and Cu2ZnGeSe4 and compared the results with those of Cu2ZnSnSe4. The enthalpies of formation for kesterite (KS), stannite (ST), and wurtz-stannite (WST) phases of Cu2ZnSiSe4, Cu2ZnGeSe4, and Cu2ZnSnSe4 (CZTSe) were calculated by first-principles calculations. In these three compounds, the KS phase is more stable than the ST and WST phases. The theoretical band gaps of KS-type Cu2ZnSiSe4 (1.48 eV) and Cu2ZnGeSe4 (1.10 eV) are wider than that of KS-type Cu2ZnSnSe4 (0.63 eV). The valence band maximum (VBM) of KS-type Cu2ZnIVSe4 consists of antibonding orbital of Cu 3d and Se 4p, while the conduction band minimum (CBM) consist of antibonding orbital of IV ns and Se 4p. The VBMs of Cu 3d + Se 4p in Cu2ZnSiSe4 and Cu2ZnGeSe4 are similar to that in Cu2ZnSnSe4. Therefore, the energy levels of VBMs in Cu2ZnIVSe4 (IV = Si, Ge) do not change so much compared with that of CZTSe. On the other hand, the energy levels of CBMs of IV ns + Se 4p in Cu2ZnSiSe4 and Cu2ZnGeSe4 become higher than that in Cu2ZnSnSe4. These trends in the electronic structures are explained by the schematic molecular orbital diagrams of tetrahedral CuSe47-, ZnSe46-, and IVSe44- (IV = Si, Ge, Sn) clusters.

  13. Thermoelectric and microstructural properties of Pb{sub 0.9-x}Sn{sub 0.1}Ge{sub x}Te compounds prepared by spinodal decomposition

    SciTech Connect

    Sondergaard, M.; Christensen, M.; Johnsen, S.; Stiewe, C.; Dasgupta, T.; Mueller, E.; Iversen, B.B.

    2011-05-15

    Three samples of Pb{sub 0.9-x}Sn{sub 0.1}Ge{sub x}Te with x=0.25, 0.35, 0.6 were prepared by heating the mixtures above the melting point of the constituent elements followed by quenching in water. The x=0.6 sample is close to the center of the immiscibility region, while the x=0.25 and 0.35 samples are in the Pb rich region inside the spinodal miscibility gap. Microstructural investigations using Powder X-ray Diffraction, Scanning Electron Microscopy and Energy Dispersive X-ray Spectroscopy revealed both GeTe-rich and PbTe-rich phases. The samples were uniaxially hot pressed and the thermoelectric properties were characterized in the temperature range 2-400 K using a commercial apparatus and from 300 to 650 K with a custom designed setup. The best sample (x=0.6) reached zT{approx}0.6 at 650 K, while the x=0.25 and 0.35 samples showed thermal instability at elevated temperatures. -- Graphical abstract: Spinodal decomposition in the GeTe-SnTe-PbTe system demonstrated by SEM and EXS images. Display Omitted Highlights: {yields} Investigation of Pb-rich part of the spinodal miscibility gap in PbTe-SnTe-GeTe. {yields} zT=0.6 at 650 K reproduced for Pb{sub 0.3}Sn{sub 0.1}Ge{sub 0.6}Te. {yields} Pb-rich phases shown to be thermally instable. {yields} Thermoelectric property characterization at low and high temperature. {yields} Microstructural investigations using PXRD, SEM, EDX and PSM.

  14. Effects of Rh on the thermoelectric performance of the p-type Zr{sub 0.5}Hf{sub 0.5}Co{sub 1-x}Rh{sub x}Sb{sub 0.99}Sn{sub 0.01} half-Heusler alloys

    SciTech Connect

    Maji, Pramathesh; Takas, Nathan J.; Misra, Dinesh K.; Gabrisch, Heike; Stokes, Kevin; Poudeu, Pierre F.P.

    2010-05-15

    We show that Rh substitution at the Co site in Zr{sub 0.5}Hf{sub 0.5}Co{sub 1-x}Rh{sub x}Sb{sub 0.99}Sn{sub 0.01} (0<=x<=1) half-Heusler alloys strongly reduces the thermal conductivity with a simultaneous, significant improvement of the power factor of the materials. Thermoelectric properties of hot-pressed pellets of several compositions with various Rh concentrations were investigated in the temperature range from 300 to 775 K. The Rh 'free' composition shows n-type conduction, while Rh substitution at the Co site drives the system to p-type semiconducting behavior. The lattice thermal conductivity of Zr{sub 0.5}Hf{sub 0.5}Co{sub 1-x}Rh{sub x}Sb{sub 0.99}Sn{sub 0.01} alloys rapidly decreased with increasing Rh concentration and lattice thermal conductivity as low as 3.7 W/m*K was obtained at 300 K for Zr{sub 0.5}Hf{sub 0.5}RhSb{sub 0.99}Sn{sub 0.01}. The drastic reduction of the lattice thermal conductivity is attributed to mass fluctuation induced by the Rh substitution at the Co site, as well as enhanced phonon scattering at grain boundaries due to the small grain size of the synthesized materials. - Graphical abstract: Significant reduction of the lattice thermal conductivity with increasing Rh concentration in the p-type Zr{sub 0.5}Hf{sub 0.5}Co{sub 1-x}Rh{sub x}Sb{sub 0.99}Sn{sub 0.01} half-Heusler materials prepared by solid state reaction at 1173 K.

  15. Crystal structure and thermal expansion of the low- and high-temperature forms of BaM{sup IV}(PO{sub 4}){sub 2} compounds (M=Ti, Zr, Hf and Sn)

    SciTech Connect

    Bregiroux, D.; Popa, K.; Jardin, R.; Raison, P.E.; Wallez, G.; Quarton, M.; Brunelli, M.; Ferrero, C.; Caciuffo, R.

    2009-05-15

    The crystal structure of beta-BaZr(PO{sub 4}){sub 2}, archetype of the high-temperature forms of BaM(PO{sub 4}){sub 2} phosphates (with M=Ti, Zr, Hf and Sn), has been solved ab initio by Rietveld analysis from synchrotron X-ray powder diffraction data. The phase transition appears as a topotactic modification of the monoclinic (S.G. C2/m) lamellar alpha-structure into a trigonal one (S.G. P3-barm1) through a simple mechanism involving the unfolding of the [Zr(PO{sub 4}){sub 2}]{sub n}{sup 2-} layers. The thermal expansion is very anisotropic (e.g., -4.1

  16. Insight into the pseudo π-hole interactions in the M3H6(NCF)n (M = C, Si, Ge, Sn, Pb; n = 1, 2, 3) complexes.

    PubMed

    Li, Wei; Zeng, Yanli; Li, Xiaoyan; Sun, Zheng; Meng, Lingpeng

    2016-09-21

    For cyclopropane and its derivatives M3H6 (M = C, Si, Ge, Sn, Pb), "pseudo π-hole" regions above and below the M-M-M three-membered ring have been discovered, and pseudo π-hole interactions between M3H6 and F-CN have been designed and investigated by MP2/aug-cc-pVTZ and MP2/aug-cc-pVTZ-pp calculations. To investigate the enhancing effects of FN halogen bonds on the pseudo π-hole interactions, the termolecular and tetramolecular complexes M3H6(NCF)n (n = 2, 3) were constructed. Energy decomposition analysis shows that the dispersion term contributes the most among the three attractive components in the C3H6(NCF)n (n = 1, 2, 3) complexes while in the Si3H6(NCF)n and Ge3H6(NCF)n complexes, the electrostatic term has the largest contribution. The electrostatic and polarization energies have more effect than the dispersion energy for the enhancement of the FN halogen bond on the pseudo π-hole interactions. With the increase in the number of NCF units from 1 to 3, the VS,min values outside the nitrogen atom of NCF become increasingly negative, the electric field of the lone pair of nitrogen becomes greater and causes a further increase of electron density outside the nitrogen atom and a further decrease of electron density outside the pseudo π-hole region, resulting in a stronger pseudo π-hole interaction.

  17. Insight into the pseudo π-hole interactions in the M3H6(NCF)n (M = C, Si, Ge, Sn, Pb; n = 1, 2, 3) complexes.

    PubMed

    Li, Wei; Zeng, Yanli; Li, Xiaoyan; Sun, Zheng; Meng, Lingpeng

    2016-09-21

    For cyclopropane and its derivatives M3H6 (M = C, Si, Ge, Sn, Pb), "pseudo π-hole" regions above and below the M-M-M three-membered ring have been discovered, and pseudo π-hole interactions between M3H6 and F-CN have been designed and investigated by MP2/aug-cc-pVTZ and MP2/aug-cc-pVTZ-pp calculations. To investigate the enhancing effects of FN halogen bonds on the pseudo π-hole interactions, the termolecular and tetramolecular complexes M3H6(NCF)n (n = 2, 3) were constructed. Energy decomposition analysis shows that the dispersion term contributes the most among the three attractive components in the C3H6(NCF)n (n = 1, 2, 3) complexes while in the Si3H6(NCF)n and Ge3H6(NCF)n complexes, the electrostatic term has the largest contribution. The electrostatic and polarization energies have more effect than the dispersion energy for the enhancement of the FN halogen bond on the pseudo π-hole interactions. With the increase in the number of NCF units from 1 to 3, the VS,min values outside the nitrogen atom of NCF become increasingly negative, the electric field of the lone pair of nitrogen becomes greater and causes a further increase of electron density outside the nitrogen atom and a further decrease of electron density outside the pseudo π-hole region, resulting in a stronger pseudo π-hole interaction. PMID:27545836

  18. Optical investigations of InGaN heterostructures and GeSn nanocrystals for photonic and phononic applications: light emitting diodes and phonon cavities

    NASA Astrophysics Data System (ADS)

    Hafiz, Shopan din Ahmad

    InGaN heterostructures are at the core of blue light emitting diodes (LEDs) which are the basic building blocks for energy efficient and environment friendly modern white light generating sources. Through quantum confinement and electronic band structure tuning on the opposite end of the spectrum, Ge1-xSnx alloys have recently attracted significant interest due to its potential role as a silicon compatible infra-red (IR) optical material for photodetectors and LEDs owing to transition to direct bandgap with increasing Sn. This thesis is dedicated to establishing an understanding of the optical processes and carrier dynamics in InGaN heterostructures for achieving more efficient visible light emitters and terahertz generating nanocavities and in colloidal Ge1-xSnx quantum dots (QDs) for developing efficient silicon compatible optoelectronics. To alleviate the electron overflow, which through strong experimental evidence is revealed to be the dominating mechanism responsible for efficiency degradation at high injection in InGaN based blue LEDs, different strategies involving electron injectors and optimized active regions have been developed. Effectiveness of optimum electron injector (EI) layers in reducing electron overflow and increasing quantum efficiency of InGaN based LEDs was demonstrated by photoluminescence (PL) and electroluminescence spectroscopy along with numerical simulations. Increasing the two-layer EI thickness in double heterostructure LEDs substantially reduced the electron overflow and increased external quantum efficiency (EQE) by three fold. By incorporating delta p-doped InGaN barriers in multiple quantum well (MQW) LEDs, 20% enhancement in EQE was achieved due to improved hole injection without degrading the layer quality. Carrier diffusion length, an important physical parameter that directly affects the performance of optoelectronic devices, was measured in epitaxial GaN using PL spectroscopy. The obtained diffusion lengths at room

  19. Memory type switching behavior of ternary Ge20Te80‑x Sn x (0  ⩽  x  ⩽  4) chalcogenide compounds

    NASA Astrophysics Data System (ADS)

    Jeevan Fernandes, Brian; Sridharan, Kishore; Munga, Pumlian; Ramesh, K.; Udayashankar, N. K.

    2016-07-01

    Chalcogenide compounds have gained huge research interest recently owing to their capability to transform from an amorphous to a crystalline phase with varying electrical properties. Such materials can be applied in building a new class of memories, such as phase-change memory and programmable metallization cells. Here we report the memory type electrical switching behavior of a ternary chalcogenide compound synthesized by doping Tin (Sn) in a germanium–telluride (Ge20Te80) host matrix, which yielded a composition of Ge20Te80‑x Sn x (0  ⩽  x  ⩽  4). Results indicate a remarkable decrease in the threshold switching voltage (V T) from 140 to 61 V when the Sn concentration was increased stepwise, which is attributed to the domination of the metallicity factor leading to reduced amorphous network connectivity and rigidity. Variation in the threshold switching voltage (V T) was noticed even when the sample thickness and temperature were altered, confirming that the memory switching process is of thermal origin. Investigations using x-ray diffraction (XRD) and scanning electron microscopy (SEM) revealed the formation of a crystalline channel that acts as the conduction path between the two electrodes in the switched region. Structural and morphological studies indicated that Sn metal remained as a micro inclusion in the matrix and hardly contributed to the rigid amorphous network formation in Ge20Te80‑x Sn x . Memory type electrical switching observed in these ternary chalcogenide compounds synthesized herein can be explored further for the fabrication of phase-change memory devices.

  20. Three-Dimensional Assignment of the Structures of Atomic Clusters: an Example of Au8M (M=Si, Ge, Sn) Anion Clusters

    PubMed Central

    Liu, Yi-Rong; Huang, Teng; Gai, Yan-Bo; Zhang, Yang; Feng, Ya-Juan; Huang, Wei

    2015-01-01

    Identification of different isomer structures of atomic and molecular clusters has long been a challenging task in the field of cluster science. Here we present a three-dimensional (3D) assignment method, combining the energy (1D) and simulated (2D) spectra to assure the assignment of the global minimum structure. This method is more accurate and convenient than traditional methods, which only consider the total energy and first vertical detachment energies (VDEs) of anion clusters. There are two prerequisites when the 3D assignment method is ultilized. First, a reliable global minimum search algorithm is necessary to explore enough valleys on the potential energy surface. Second, trustworthy simulated spectra are necessary, that is to say, spectra that are in quantitative agreement. In this paper, we demonstrate the validity of the 3D assignment method using Au8M− (M = Si, Ge, Sn) systems. Results from this study indicate that the global minimum structures of Au8Ge− and Au8Sn− clusters are different from those described in previous studies. PMID:26631620

  1. D{sub 3h} [A-CE{sub 3}-A]{sup −} (E = Al and Ga, A = Si, Ge, Sn, and Pb): A new class of hexatomic mono-anionic species with trigonal bipyramidal carbon

    SciTech Connect

    Wu, Yan-Bo E-mail: zxwang@ucas.ac.cn; Li, Yan-Qin; Bai, Hui; Lu, Hai-Gang; Li, Si-Dian; Zhai, Hua-Jin; Wang, Zhi-Xiang E-mail: zxwang@ucas.ac.cn

    2014-03-14

    The non-classical trigonal bipyramidal carbon (TBPC) arrangement generally exists as transition states (TSs) in nucleophilic bimolecular substitution (S{sub N}2) reactions. Nevertheless, chemists have been curious about whether such a carbon bonding could be stable in equilibrium structures for decades. As the TBPC arrangement was normally realized as cationic species theoretically and experimentally, only one anionic example ([At-C(CN){sub 3}-At]{sup −}) was computationally devised. Herein, we report the design of a new class of anionic TBPC species by using the strategy similar to that for stabilizing the non-classical planar hypercoordinate carbon. When electron deficient Al and Ga were used as the equatorial ligands, eight D{sub 3h} [A-CE{sub 3}-A]{sup −} (E = Al and Ga, A = Si, Ge, Sn, and Pb) TBPC structures were found to be the energy minima rather than TSs at both the B3LYP and MP2 levels. Remarkably, the energetic results at the CCSD(T) optimization level further identify [Ge-CAl{sub 3}-Ge]{sup −} and [Sn-CGa{sub 3}-Sn]{sup −} even to be the global minima and [Si-CAl{sub 3}-Si]{sup −} and [Ge-CGa{sub 3}-Ge]{sup −} to be the local minima, only slightly higher than their global minima. The electronic structure analyses reveal that the substantial ionic C–E bonding, the peripheral E–A covalent bonding, and the axial mc-2e (multi center-two electrons) bonding play roles in stabilizing these TBPC structures. The structural simplicity and the high thermodynamic stability suggest that some of these species may be generated and captured in the gas phase. Furthermore, as mono-anionic species, their first vertical detachment energies are differentiable from those of their nearest isomers, which would facilitate their characterization via experiments such as the negative ion photoelectron spectroscopy.

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

    SciTech Connect

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

    2015-03-15

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

  3. Ground state properties and thermoelectric behavior of Ru2VZ (Z=Si, ge, sn) half-metallic ferromagnetic full-Heusler compounds

    NASA Astrophysics Data System (ADS)

    Yalcin, Battal Gazi

    2016-06-01

    The ground state properties namely structural, mechanical, electronic and magnetic properties and thermoelectric behavior of Ru2VZ (Z=Si, Ge and Sn) half-metallic ferromagnetic full-Heusler compounds are systematically investigated. These compounds are ferromagnetic and crystallize in the Heusler type L21 structure (prototype: Cu2MnAl, Fm-3m 225). This result is confirmed for Ru2VSi and Ru2VSn by experimental work reported by Yin and Nash using high temperature direct reaction calorimetry. The studied materials are half-metallic ferromagnets with a narrow direct band gap in the minority spin channel that amounts to 31 meV, 66 meV and 14 meV for Ru2VSi, Ru2VGe, and Ru2VSn, respectively. The total spin magnetic moment (Mtot) of the considered compounds satisfies a Slater-Pauling type rule for localized magnetic moment systems (Mtot=(NV-24)μB), where NV=25 is the number of valence electrons in the primitive cell. The Curie temperature within the random phase approximation (RPA) is found to be 23 K, 126 K and 447 K for Ru2VSi, Ru2VGe and Ru2VSn, respectively. Semi-classical Boltzmann transport theories have been used to obtain thermoelectric constants, such as Seebeck coefficient (S), electrical (σ/τ) and thermal conductivity (κ/τ), power factor (PF) and the Pauli magnetic susceptibility (χ). ZTMAX values of 0.016 (350 K), 0.033 (380 K) and 0.063 (315 K) are achieved for Ru2VSi, Ru2VGe and Ru2VSn, respectively. It is expected that the obtained results might be a trigger in future experimentally interest in this type of full-Heusler compounds.

  4. The structural, electronic, magnetic and mechanical properties of quaternary Heusler alloys ZrTiCrZ (Z  =  Al, Ga, In, Si, Ge, Sn): a first-principles study

    NASA Astrophysics Data System (ADS)

    Yan, Peng-Li; Zhang, Jian-Min; Zhou, Bo; Xu, Ke-Wei

    2016-06-01

    The structural, electronic, magnetic and mechanical properties of the quaternary Heusler alloys ZrTiCrZ (Z  =  Al, Ga, In, Si, Ge, Sn) have been investigated firstly by using the first-principles calculations. The preferred configurations of the ZrTiCrZ alloys are all Y-type (I). At their equilibrium lattice constants, the ZrTiCrZ alloys are half-metallic (HM) ferrimagnets for Z  =  Al, Ga and In, while spin-gapless semiconductor (SGS) antiferromagnets (AFM) for Z  =  Si, Ge and Sn. The total magnetic moments {μt} of the ZrTiCrZ alloys are  -1 {μ\\text{B}}/\\text{f}\\text{.u}\\text{.} for Z  =  Al, Ga and In, while 0 {μ\\text{B}}/\\text{f}\\text{.u}\\text{.} for Z  =  Si, Ge and Sn, both linearly scaled with the total number of valence electrons {{Z}\\text{t}} by Slater-Pauling rule {μ\\text{t}}={{Z}\\text{t}}-18 . The elastic constants {{C}11} , {{C}12} and {{C}44} of the single crystal and the related elastic moduli G , B , E , \\upsilon and A of the polycrystalline aggregates are also calculated and used to study the mechanical stability of these alloys. Although the Curie temperatures {{T}\\text{C}} of the ZrTiCrZ alloys are overestimated by using the mean field approximation (MFA), they can be better estimated by including the exchange interactions. Finally, the HM stabilities as well as the total and atomic magnetic moments of the ZrTiCrZ alloys (Z  =  Al, Ga, In) under either hydrostatic strain or tetragonal strain are also discussed.

  5. The structural, electronic, magnetic and mechanical properties of quaternary Heusler alloys ZrTiCrZ (Z  =  Al, Ga, In, Si, Ge, Sn): a first-principles study

    NASA Astrophysics Data System (ADS)

    Yan, Peng-Li; Zhang, Jian-Min; Zhou, Bo; Xu, Ke-Wei

    2016-06-01

    The structural, electronic, magnetic and mechanical properties of the quaternary Heusler alloys ZrTiCrZ (Z  =  Al, Ga, In, Si, Ge, Sn) have been investigated firstly by using the first-principles calculations. The preferred configurations of the ZrTiCrZ alloys are all Y-type (I). At their equilibrium lattice constants, the ZrTiCrZ alloys are half-metallic (HM) ferrimagnets for Z  =  Al, Ga and In, while spin-gapless semiconductor (SGS) antiferromagnets (AFM) for Z  =  Si, Ge and Sn. The total magnetic moments {μt} of the ZrTiCrZ alloys are  ‑1 {μ\\text{B}}/\\text{f}\\text{.u}\\text{.} for Z  =  Al, Ga and In, while 0 {μ\\text{B}}/\\text{f}\\text{.u}\\text{.} for Z  =  Si, Ge and Sn, both linearly scaled with the total number of valence electrons {{Z}\\text{t}} by Slater–Pauling rule {μ\\text{t}}={{Z}\\text{t}}-18 . The elastic constants {{C}11} , {{C}12} and {{C}44} of the single crystal and the related elastic moduli G , B , E , \\upsilon and A of the polycrystalline aggregates are also calculated and used to study the mechanical stability of these alloys. Although the Curie temperatures {{T}\\text{C}} of the ZrTiCrZ alloys are overestimated by using the mean field approximation (MFA), they can be better estimated by including the exchange interactions. Finally, the HM stabilities as well as the total and atomic magnetic moments of the ZrTiCrZ alloys (Z  =  Al, Ga, In) under either hydrostatic strain or tetragonal strain are also discussed.

  6. A first-principles study on the negative thermal expansion material: Mn3(A0.5B0.5)N (A=Cu, Zn, Ag, or Cd; B=Si, Ge, or Sn)

    NASA Astrophysics Data System (ADS)

    Qu, Bingyan; He, Haiyan; Pan, Bicai

    2016-07-01

    In this paper, using the first-principles calculations, we systemically study the magnetic and the negative thermal expansion (NTE) properties of Mn3(A0.5B0.5)N (A = Cu, Zn, Ag, or Cd; B = Si, Ge, or Sn). From the calculated results, except Mn3(Cu0.5Si0.5)N, all the doped compounds considered would exhibit the NTE. For the dopants at B sites, the working temperature of the NTE shifts to higher temperature range from Si to Sn, and among the compounds with these dopants, Mn3(A0.5Ge0.5)N has the largest amplitude of the NTE coefficient. As to the dopants at A sites, compared to Mn3(Cu0.5B0.5)N, Mn3(A0.5B0.5)N (A = Ag or Cd) exhibit the NTE with higher temperature ranges and lower coefficient of the thermal expansion. In a word, these compounds would have different working temperatures and coefficients of the NTE, which is important for the applications in different conditions.

  7. Molecular structure of trichloroethenylgermane, CH2=CH-GeCl3, as studied by gas-phase electron diffraction. experimental determination of the barrier of internal rotation of the trichlorogermyl group supplemented with quantum chemical calculations on CH2=CH-MX3 (M = C, Si, Ge, Sn, and X = H, Cl).

    PubMed

    Samdal, Svein; Guillemin, Jean-Claude; Gundersen, Snefrid

    2010-06-01

    The molecular structure of trichloroethenylgermane, CH(2)=CH-GeCl(3), has been determined by electron diffraction and supported by quantum chemical calculations on CH(2)=CH-MX(3) (M = C, Si, Ge, Sn and X = H, Cl). An equilibrium syn conformation with C(s) symmetry is obtained both experimentally and theoretically where one of the Ge-Cl bonds eclipses the C=C bond. The barrier of internal rotation about the C-Ge bond is determined to be V(3) = 5.3(7) kJ mol(-1) using a dynamic model to simulate the internal motion. The most important structure parameters (estimated r(e)/A and angle/degree) are: r(C-Ge) = 1.911(5), r(C=C) = 1.345(5), r(Ge-Cl7) = 2.122(2), Ge = 120.4(5), Ge-Cl7 = 111.0(2), and Ge-Cl8) = 109.4(5) where the Cl7 atom is in the C=C-Ge plane and the Cl8 atom is out of the C=C-Ge plane. Uncertainties are estimated total standard deviations (sigma(tot)) given as: sigma(tot) = [sigma(2)(scale) + (2sigma(lsq))(2)](1/2) for bond lengths where sigma(scale) = 0.001r and sigma(lsq) is the least-squares standard deviation using a diagonal weight matrix and sigma(tot) = 2sigma(lsq) for the other parameters. The assignment of some of the fundamental frequencies has been discussed. The internal agreement between the calculated molecular geometry obtained from B3LYP and MP2(F) using the cc-pVQZ basis set and to the experimental geometry is not good, whereas the molecular geometry obtained from a CCSD/cc-pVTZ calculation is in very good agreement with experimental geometry. This investigation shows that the gas electron-diffraction method is capable of determining the rotational barrier for small suitable molecules with acceptable accuracy. PMID:20459079

  8. Molecular structure of trichloroethenylgermane, CH2=CH-GeCl3, as studied by gas-phase electron diffraction. experimental determination of the barrier of internal rotation of the trichlorogermyl group supplemented with quantum chemical calculations on CH2=CH-MX3 (M = C, Si, Ge, Sn, and X = H, Cl).

    PubMed

    Samdal, Svein; Guillemin, Jean-Claude; Gundersen, Snefrid

    2010-06-01

    The molecular structure of trichloroethenylgermane, CH(2)=CH-GeCl(3), has been determined by electron diffraction and supported by quantum chemical calculations on CH(2)=CH-MX(3) (M = C, Si, Ge, Sn and X = H, Cl). An equilibrium syn conformation with C(s) symmetry is obtained both experimentally and theoretically where one of the Ge-Cl bonds eclipses the C=C bond. The barrier of internal rotation about the C-Ge bond is determined to be V(3) = 5.3(7) kJ mol(-1) using a dynamic model to simulate the internal motion. The most important structure parameters (estimated r(e)/A and angle/degree) are: r(C-Ge) = 1.911(5), r(C=C) = 1.345(5), r(Ge-Cl7) = 2.122(2), Ge = 120.4(5), Ge-Cl7 = 111.0(2), and Ge-Cl8) = 109.4(5) where the Cl7 atom is in the C=C-Ge plane and the Cl8 atom is out of the C=C-Ge plane. Uncertainties are estimated total standard deviations (sigma(tot)) given as: sigma(tot) = [sigma(2)(scale) + (2sigma(lsq))(2)](1/2) for bond lengths where sigma(scale) = 0.001r and sigma(lsq) is the least-squares standard deviation using a diagonal weight matrix and sigma(tot) = 2sigma(lsq) for the other parameters. The assignment of some of the fundamental frequencies has been discussed. The internal agreement between the calculated molecular geometry obtained from B3LYP and MP2(F) using the cc-pVQZ basis set and to the experimental geometry is not good, whereas the molecular geometry obtained from a CCSD/cc-pVTZ calculation is in very good agreement with experimental geometry. This investigation shows that the gas electron-diffraction method is capable of determining the rotational barrier for small suitable molecules with acceptable accuracy.

  9. Field-induced spin-flop in antiferromagnetic semiconductors with commensurate and incommensurate magnetic structures: Li2FeGeS4 (LIGS) and Li2FeSnS4 (LITS).

    PubMed

    Brant, Jacilynn A; dela Cruz, Clarina; Yao, Jinlei; Douvalis, Alexios P; Bakas, Thomas; Sorescu, Monica; Aitken, Jennifer A

    2014-12-01

    Li2FeGeS4 (LIGS) and Li2FeSnS4 (LITS), which are among the first magnetic semiconductors with the wurtz-kesterite structure, exhibit antiferromagnetism with TN ≈ 6 and 4 K, respectively. Both compounds undergo a conventional metamagnetic transition that is accompanied by a hysteresis; a reversible spin-flop transition is dominant. On the basis of constant-wavelength neutron powder diffraction data, we propose that LIGS and LITS exhibit collinear magnetic structures that are commensurate and incommensurate with propagation vectors km = [1/2, 1/2, 1/2] and [0, 0, 0.546(1)], respectively. The two compounds exhibit similar magnetic phase diagrams, as the critical fields are temperature-dependent. The nuclear structures of the bulk powder samples were verified using time-of-flight neutron powder diffraction along with synchrotron X-ray powder diffraction. (57)Fe and (119)Sn Mössbauer spectroscopy confirmed the presence of Fe(2+) and Sn(4+) as well as the number of crystallographically unique positions. LIGS and LITS are semiconductors with indirect and direct bandgaps of 1.42 and 1.86 eV, respectively, according to optical diffuse-reflectance UV-vis-NIR spectroscopy. PMID:25397682

  10. Local density functional calculations of the electronic structures of the intermetallic systems U{sub 2}Fe{sub 2}Sn and UFe{sub 2}Ge{sub 2}

    SciTech Connect

    Matar, S.F.; Chevalier, B.; Etourneau, J.; Eyert, V.

    1997-02-05

    The electronic structures of U{sub 2}Fe{sub 2}Sn and UFe{sub 2}Ge{sub 2} are self-consistently calculated within the local density functional theory using the augmented spherical wave (ASW) method. Calculations are scalar relativistic. The experimentally observed Pauli paramagnetic behavior of the two systems is accounted for and the influence of hybridization between the different l-states on the chemical bonding is discussed from the site-projected densities of states (DOS) as well as from the modulation of the DOS by the sign and magnitude of the overlap integral, i.e., with the so-called COOP. From this, we propose a mechanism for the evolution of bonding within the series to which the two compounds belong. 12 refs., 3 figs.

  11. SrZn2Sn2 and Ca2Zn3Sn6 — two new Ae-Zn-Sn polar intermetallic compounds (Ae: alkaline earth metal)

    NASA Astrophysics Data System (ADS)

    Stegmaier, Saskia; Fässler, Thomas F.

    2012-08-01

    SrZn2Sn2 and Ca2Zn3Sn6, two closely related new polar intermetallic compounds, were obtained by high temperature reactions of the elements. Their crystal structures were determined with single crystal XRD methods, and their electronic structures were analyzed by means of DFT calculations. The Zn-Sn structure part of SrZn2Sn2 comprises (anti-)PbO-like {ZnSn4/4} and {SnZn4/4} layers. Ca2Zn3Sn6 shows similar {ZnSn4/4} layers and {Sn4Zn} slabs constructed of a covalently bonded Sn scaffold capped by Zn atoms. For both phases, the two types of layers are alternatingly stacked and interconnected via Zn-Sn bonds. SrZn2Sn2 adopts the SrPd2Bi2 structure type, and Ca2Zn3Sn6 is isotypic to the R2Zn3Ge6 compounds (R=La, Ce, Pr, Nd). Band structure calculations indicate that both SrZn2Sn2 and Ca2Zn3Sn6 are metallic. Analyses of the chemical bonding with the electron localization function (ELF) show lone pair like basins at Sn atoms and Zn-Sn bonding interactions between the layers for both title phases, and covalent Sn-Sn bonding within the {Sn4Zn} layers of Ca2Zn3Sn6.

  12. Effects of cerium substitution on magnetic properties of naturally layered TbMn6Sn6 compound

    NASA Astrophysics Data System (ADS)

    Chen, X. X.; Zhao, M.; Liu, G. Z.; Yao, J. L.; Gao, J.

    2016-04-01

    The Tb1-xCexMn6Sn6 compounds with x = 0 - 0.3 crystallize in the hexagonal HfFe6Ge6-type structure (space group P6/mmm). The cerium (Ce) substitution for Tb increases the magnetization while reduces the Curie and spin-orientation temperatures. The hard magnetic properties are enhanced by the Ce substitution, e.g., from a coercivity of ˜ 5.4 kOe for TbMn6Sn6 to ˜ 7.6 kOe for the Ce-substituted compounds with x = 0.2 at 5 K. The role of Ce substitution in the magnetocrystalline anisotropy is discussed based on the single-ion anisotropy model. The substitution of Ce for critical rare-earth atoms provides an opportunity of improving hard magnetic properties of the rare-earth-based intermetallics.

  13. Exploration of R2XM2 (R=Sc, Y, Ti, Zr, Hf, rare earth; X=main group element; M=transition metal, Si, Ge): Structural Motifs, the novel Compound Gd2AlGe2 and Analysis of the U3Si2 and Zr3Al2 Structure Types

    SciTech Connect

    McWhorter, Sean William

    2006-01-01

    In the process of exploring and understanding the influence of crystal structure on the system of compounds with the composition Gd5(SixGe1-x)4 several new compounds were synthesized with different crystal structures, but similar structural features. In Gd5(SixGe1-x)4, the main feature of interest is the magnetocaloric effect (MCE), which allows the material to be useful in magnetic refrigeration applications. The MCE is based on the magnetic interactions of the Gd atoms in the crystal structure, which varies with x (the amount of Si in the compound). The crystal structure of Gd5(SixGe1-x)4 can be thought of as being formed from two 32434 nets of Gd atoms, with additional Gd atoms in the cubic voids and Si/Ge atoms in the trigonal prismatic voids. Attempts were made to substitute nonmagnetic atoms for magnetic Gd using In, Mg and Al. Gd2MgGe2 and Gd2InGe2 both possess the same 32434 nets of Gd atoms as Gd5(SixGe1-x)4, but these nets are connected differently, forming the Mo2FeB2 crystal structure. A search of the literature revealed that compounds with the composition R2XM2 (R=Sc, Y, Ti, Zr, Hf, rare earth; X=main group element; M=transition metal, Si, Ge) crystallize in one of four crystal structures: the Mo2FeB2, Zr3Al2, Mn2AlB2 and W2CoB2 crystal structures. These crystal structures are described, and the relationships between them are highlighted. Gd2AlGe2 forms an entirely new crystal structure, and the details of its synthesis and characterization are given. Electronic structure calculations are performed to understand the nature of bonding in this compound and how

  14. Singlet-triplet energy differences in divalent five membered cyclic conjugated Arduengo-type carbenes XC2HN2M (M = C, Si, Ge, Sn, and Pb; X = F, Cl, Br, and I)

    NASA Astrophysics Data System (ADS)

    Vessally, Esmail; Dehbandi, Behnam; Ahmadi, Elaheh

    2016-09-01

    Singlet-triplet energy differences in Arduengo-type carbenes XC2HN2C compared and contrasted with their sila, germa, stana and plumba analogues; at B3LYP/6-311++G** level of theory. Free Gibbs energy differences between triplet (t) and singlet (s) states (Δ G(t-s)) change in the following order: plumbylenes > stannylenes > germylenes > silylenes > carbenes. The singlet states in XC2HN2C are generally more stable when the electron withdrawing groups such as-F was used at β-position. However, the singlet states in XC2N2HM (M = Si, Ge, Sn, and Pb) are generally more stable when the withdrawing groups such as-F was placed. The puckering energy is investigated for each the singlet and triplet states. The DFT calculations found the linear correlation to size of the group 14 divalent element (M), the ∠N-M-N angle, and the Δ(LUMO-HOMO) of XC2HN2M.

  15. Electronic structure and magneto-optical properties of Co2Mn X alloys where X = Ge, Sn and Pb: a First-principles investigation in the LDA+U approach

    NASA Astrophysics Data System (ADS)

    Van Quang, Tran; Lee, Jae Il; Kim, Miyoung

    2013-06-01

    We report our ab - initio calculational results for the electronic structures and the magnetooptical (MO) properties of the ferromagnetic Co2Mn X full Heusler alloys where X = Ge, Sn and Pb. Employing the +U corrections for the 3 d bands of transition-metal atoms in addition to the conventional local density approximation (LDA), we investigate the correlation effect on the MO spectra in a polar geometry and the detailed electronic structures. Results show that the correlation effect results in a blue-shift of the peak positions and a large enhancement of the MO spectra up to double in magnitude compared to the LDA results. We find that our results can be attributed to the increased t 2 g - e g splitting of the spin-minority d-bands of both Co and Mn atoms, which indicates a suppression of the diagonal elements of the optical conductivity in the energy region of 1-2 eV where the interband transitions are forbidden.

  16. First principle research of possible HM-AFM in double perovskites A2MoOsO6 and A2TcReO6 (A = Si, Ge, Sn, and Pb) with group IVA elements set on the A-site position

    NASA Astrophysics Data System (ADS)

    Fuh, Huei-Ru; Liu, Yun-Ping; Wang, Yin-Kuo

    2013-05-01

    We calculated electronic structures of double perovskite structures of A2MoOsO6 and A2TcReO6 (A = Si, Ge, Sn, and Pb) based on the density functional theory which was carried out with a full structural optimization using generalized gradient approximation and taking into account the correlation effect (GGA + U). In GGA calculation, Pb2TcReO6 shows a half-metallic antiferromagnet (HM-AFM) characteristic, whereas Sn2MoOsO6, Pb2MoOsO6, and Sn2TcReO6 are nearly HM-AFMs. With GGA + U calculation, Sn2MoOsO6 and Pb2MoOsO6 become stable HM-AFM, but Sn2TcReO6 and Pb2TcReO6 changes HM-AFM into an antiferromagnetic insulator. The p-d hybridization between B(B')d-Op and double exchange interaction is the mean reason to result in the half-metallic and compensated ferrimagnetic phase.

  17. Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).

    PubMed

    Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana

    2016-01-01

    The crystal chemical features of the new series of compounds R6Mg23C with R = La-Sm or Gd and Ce6Mg23Z with Z = C, Si, Ge, Sn, Pb, P, As, or Sb have been studied by means of single-crystal and powder X-ray diffraction techniques. All phases crystallize with the cubic Zr6Zn23Si prototype (cF120, space group Fm3̅m, Z = 4), a filled variant of the Th6Mn23 structure. While no Th6Mn23-type binary rare earth-magnesium compound is known to exist, the addition of a third element Z (only 3 atom %), located into the octahedral cavity of the Th6Mn23 cell (Wyckoff site 4a), stabilizes this structural arrangement and makes possible the formation of the ternary R6Mg23Z compounds. The results of both structural and topological analyses as well as of LMTO electronic structure calculations show that the interstitial element plays a crucial role in the stability of these phases, forming a strongly bonded [R6Z] octahedral moiety spaced by zeolite cage-like [Mg45] clusters. Considering these two building units, the crystal structure of these apparently complex intermetallics can be simplified to the NaCl-type topology. Moreover, a structural relationship between RMg3 and R6Mg23C compounds has been unveiled; the latter can be described as substitutional derivatives of the former. The geometrical distortions and the consequent symmetry reduction that accompany this transformation are explicitly described by means of the Bärnighausen formalism within group theory.

  18. Electronic, optical, structural, and elastic properties of MAX phases and (Cr2Hf)2Al3C3

    NASA Astrophysics Data System (ADS)

    Mo, Yuxiang

    The term "MAX phase" refers to a very interesting and important class of layered ternary transition-metal carbides and nitrides with a novel combination of both metal- and ceramic-like properties that have made these materials highly regarded candidates for numerous technological and engineering applications. In the present dissertation work, the electronic structure and optical conductivities of 20 MAX phases Ti3AC2 (A = Al, Si, Ge), Ti2AC (A = Al, Ga, In, Si, Ge, Sn, P, As, S), Ti2AlN, M2AlC (M = V, Nb, Cr), and Tan+1AlC n (n = 1 to 4) are studied using the first-principles orthogonalized linear combination of atomic orbitals (OLCAO) method. It is confirmed that the N(Ef) (total density of states at the Fermi level Ef) increases as the number of valence electrons of the composing elements increases. The local feature of total density of states (TDOS) near Ef is used to predict structural stability. The calculated effective charge on each atom shows that the M (transition-metal) atoms always lose charge to the X (C or N) atoms, whereas the A-group atoms mostly gain charge but some lose charge. Bond order values are obtained and critically analyzed for all types of interatomic bonds in the 20 MAX phases. Also included in this work is the exploration [using (Cr2Hf)2Al3C3 as an example] of the possibility of incorporating more types of elements into a MAX phase while maintaining the crystallinity, instead of creating solid solution phases. The crystal structure and elastic properties of (Cr2Hf)2Al 3C3 are studied using the Vienna ab initio Simulation Package. Unlike MAX phases with a hexagonal symmetry ( P63/mmc, #194), (Cr 2Hf)2Al3C3 crystallizes in the monoclinic space group of P21/m (#11). Its structure is found to be energetically much more favorable against the allotropic segregation and solid solution phases. Calculations using a stress versus strain approach and the VRH approximation for polycrystals also show that (Cr2Hf)2Al3C3 has outstanding elastic moduli.

  19. Effects of metal/Ge contact and surface passivation on direct band gap light emission and detection for asymmetric metal/Ge/metal diodes

    NASA Astrophysics Data System (ADS)

    Maekura, Takayuki; Yamamoto, Keisuke; Nakashima, Hiroshi; Wang, Dong

    2016-04-01

    Direct band gap electroluminescence (EL) and light detection were studied at room temperature for n-type bulk germanium (Ge) by using fin-type asymmetric lateral metal/Ge/metal diodes. HfGe/Ge and PtGe/Ge contacts were used for injecting holes. Electron cyclotron resonance plasma oxidation and physical vapor deposition bilayer passivation (BLP) methods were employed for passivating the surface of the active region. A high EL intensity and a low dark current intensity were observed for the sample with PtGe/Ge contact and BLP, owing to the small/large barrier height of holes/electrons for PtGe/Ge contact, respectively, and the low density of interface states for the active region with BLP. The local-heating-induced redshift of the EL peak for the sample with PtGe/Ge contact is smaller than that for the sample with HfGe/Ge contact, owing to the lower parasitic resistance of PtGe/Ge contact. The diode with PtGe/Ge contact and BLP shows an on/off ratio of ∼104 and a responsivity of 0.70 A/W, corresponding to an external quantum efficiency of 56.0% under a wavelength of 1.55 µm.

  20. Exploring the Reactivity Trends in the E2 and SN2 Reactions of X(-) + CH3CH2Cl (X = F, Cl, Br, HO, HS, HSe, NH2 PH2, AsH2, CH3, SiH3, and GeH3).

    PubMed

    Wu, Xiao-Peng; Sun, Xiao-Ming; Wei, Xi-Guang; Ren, Yi; Wong, Ning-Bew; Li, Wai-Kee

    2009-06-01

    The reactivity order of 12 anions toward ethyl chloride has been investigated by using the G2(+) method, and the competitive E2 and SN2 reactions are discussed and compared. The reactions studied are X(-) + CH3CH2Cl → HX + CH2═CH2 + Cl(-) and X(-) + CH3CH2Cl → CH3CH2X + Cl(-), with X = F, Cl, Br, HO, HS, HSe, NH2 PH2, AsH2, CH3, SiH3, and GeH3. Our results indicate that there is no general and straightforward relationship between the overall barriers and the proton affinity (PA) of X(-); instead, discernible linear correlations only exist for the X's within the same group of the periodic table. Similar correlations are also found with the electronegativity of central atoms in X, deformation energy of the E2 transition state (TS), and the overall enthalpy of reaction. It is revealed that the electronegativity will significantly affect the barrier height, and a more electronegative X will stabilize the E2 and SN2 transition states. Multiple linear regression analysis shows that there is a reasonable linear correlation between E2 (or SN2) overall barriers and the linear combination of PA of X(-) and electronegativity of the central atom.

  1. Discovery of Nuwaite, Ni6GeS2, a New Alteration Mineral in Allende

    NASA Astrophysics Data System (ADS)

    Ma, C.

    2015-07-01

    Nuwaite is likely the first solar mineral with high Ge, Sn and Te concentrations. It is a late-stage alteration product, probably derived from a sulfidation process, where Ni-Fe metals react with a low-temperature fluid enriched in S, Ge, Sn and Te.

  2. Quantitative coverage and stability of hydrogen-passivation layers on HF-etched Si(1-x)Gex surfaces

    NASA Astrophysics Data System (ADS)

    Wilde, Markus; Fukutani, Katsuyuki; Koh, Shinji; Sawano, Kentarou; Shiraki, Yasuhiro

    2005-07-01

    This study investigates the stability of surface hydride layers passivating silicon-germanium alloys against contamination in ambient conditions after treatment in dilute hydrofluoric acid (HF), which is of central importance to the fabrication of SiGe-based semiconductor devices. We report quantitative hydrogen coverages on HF-etched Si(1-x)Gex surfaces (x=0,0.30,0.60,0.82), determined after air-to-vacuum transfer by H-specific H1(N15,αγ)C12 nuclear reaction analysis. Combination of this coverage information with analysis of the zero-point vibrational properties and N15-ion-induced desorption kinetics of the surface H atoms enables the distinction of well-passivated SiGe surfaces terminated exclusively by hydrides of Si and Ge from those partially covered by contaminating adsorbates. It is found that the resistance of HF-etched Si(1-x)Gex alloys against recontamination is drastically reduced at increasing Ge contents. Pure Si(100)-H is stably passivated at least up to 1week in air by a layer of 1.3±0.1 monolayer total H coverage. Si0.70Ge0.30 initially resembles H-passivated Si(100) but shows indications of moderate contamination after 1week in air. The HF treatment does not produce stable passivation layers on Ge-rich alloys (x⩾0.60), which suffer heavy recontamination within minutes after removal from the HF solution.

  3. Germanium oxide removal by citric acid and thiol passivation from citric acid-terminated Ge(100).

    PubMed

    Collins, Gillian; Aureau, Damien; Holmes, Justin D; Etcheberry, Arnaud; O'Dwyer, Colm

    2014-12-01

    Many applications of germanium (Ge) are underpinned by effective oxide removal and surface passivation. This important surface treatment step often requires H-X (X = Cl, Br, I) or HF etchants. Here, we show that aqueous citric acid solutions are effective in the removal of GeOx. The stability of citric acid-treated Ge(100) is compared to HF and HCl treated surfaces and analyzed by X-ray photoelectron spectroscopy. Further Ge surface passivation was investigated by thiolation using alkane monothiols and dithiols. The organic passivation layers show good stability with no oxide regrowth observed after 3 days of ambient exposure.

  4. Development of HF radar inversion algorithm for spectrum estimation (HIAS)

    NASA Astrophysics Data System (ADS)

    Hisaki, Yukiharu

    2015-03-01

    A method for estimating ocean wave directional spectra using an HF (high-frequency) ocean radar was developed. This method represents the development of work conducted in previous studies. In the present method, ocean wave directional spectra are estimated on polar coordinates whose center is the radar position, while spectra are estimated on regular grids. This method can be applied to both single and multiple radar cases. The area for wave estimation is more flexible than that of the previous method. As the signal to noise (SN) ratios of Doppler spectra are critical for wave estimation, we develop a method to exclude low SN ratio Doppler spectra. The validity of the method is demonstrated by comparing results with in situ observed wave data that it would be impossible to estimate by the methods of other groups.

  5. Properties of slow traps of ALD Al2O3/GeOx/Ge nMOSFETs with plasma post oxidation

    NASA Astrophysics Data System (ADS)

    Ke, M.; Yu, X.; Chang, C.; Takenaka, M.; Takagi, S.

    2016-07-01

    The realization of Ge gate stacks with a small amount of slow trap density as well as thin equivalent oxide thickness and low interface state density (Dit) is a crucial issue for Ge CMOS. In this study, we examine the properties of slow traps, particularly the location of slow traps, of Al2O3/GeOx/n-Ge and HfO2/Al2O3/GeOx/n-Ge MOS interfaces with changing the process and structural parameters, formed by atomic layer deposition (ALD) of Al2O3 and HfO2/Al2O3 combined with plasma post oxidation. It is found that the slow traps can locate in the GeOx interfacial layer, not in the ALD Al2O3 layer. Furthermore, we study the time dependence of channel currents in the Ge n-MOSFETs with 5-nm-thick Al2O3/GeOx/Ge gate stacks, with changing the thickness of GeOx, in order to further clarify the position of slow traps. The time dependence of the current drift and the effective time constant of slow traps do not change among the MOSFETs with the different thickness GeOx, demonstrating that the slow traps mainly exist near the interfaces between Ge and GeOx.

  6. Development of NTD Ge Sensors for Superconducting Bolometer

    NASA Astrophysics Data System (ADS)

    Garai, A.; Mathimalar, S.; Singh, V.; Dokania, N.; Nanal, V.; Pillay, R. G.; Ramakrishnan, S.; Shrivastava, A.; Jagadeesan, K. C.; Thakare, S. V.

    2016-08-01

    Neutron transmutation-doped (NTD) Ge sensors have been prepared by irradiating device-grade Ge with thermal neutrons at Dhruva reactor, BARC, Mumbai. These sensors are intended to be used for the study of neutrinoless double beta decay in ^{124}Sn with a superconducting Tin bolometer. Resistance measurements are performed on NTD Ge sensors in the temperature range 100-350 mK. The observed temperature dependence is found to be consistent with the variable-range hopping mechanism.

  7. Generalized current-voltage analysis and efficiency limitations in non-ideal solar cells: Case of Cu2ZnSn(SxSe1-x)4 and Cu2Zn(SnyGe1-y)(SxSe1-x)4

    NASA Astrophysics Data System (ADS)

    Hages, Charles J.; Carter, Nathaniel J.; Agrawal, Rakesh; Unold, Thomas

    2014-06-01

    Detailed electrical characterization of nanoparticle based Cu2ZnSn(SxSe1-x)4 (CZTSSe) and Cu2Zn(SnyGe1-y)(SxSe1-x)4 (CZTGeSSe) solar cells has been conducted to understand the origin of device limitations in this material system. Specifically, temperature dependent current-voltage analysis has been considered, with particular application to the characterization of solar cells with non-ideal device behavior. Due to the presence of such non-ideal device behavior, typical analysis techniques—commonly applied to kesterite-type solar cells—are found to be insufficient to understand performance limitations, and an analysis methodology is presented to account for the non-idealities. Here, the origin of non-ideal device behavior is chiefly considered in terms of electrostatic and band gap potential fluctuations, low minority carrier lifetimes, temperature dependent band edges, high surface/bulk recombination rates, and tunneling enhanced recombination. For CZTSSe and CZTGeSSe, the main limitations to improved device performance (voltage limitations) are found to be associated with significant EA deficits (EA-EG) at 300 K, large ideality factors, and voltage-dependent carrier collection, which we associate with the bulk material properties of the absorbers. The material origin of these non-ideal electrical properties is considered. Additionally, for CZTGeSSe, the effect of Ge-incorporation on the electrical properties of the solar cells is discussed, with improvements in the electrical properties characterized for the Ge-alloyed devices.

  8. Multivalency of Sn in Cu2ZnSnS4

    NASA Astrophysics Data System (ADS)

    Biswas, Koushik; Lany, Stephan; Zunger, Alex

    2010-03-01

    The highly efficient ternary chalcopyrites such as 2(CuInSe2) = Cu2In2Se4 can be replaced as absorber materials in photovoltaic cells by Cu2ZnSnS4 (band gap ˜ 1.5 eV) in order to avoid the costly element In. Yet, the question remains whether a Fermi-level pinning defect can form spontaneously in these quaternary materials just as the InCu intrinsic DX centers in CuInSe2 [1]. Here we study theoretically the deep gap levels introduced by the SnCu and SnZn defects in Cu2ZnSnS4. We find that these originate from the multi-valency of Sn, which can change into a +II oxidation state instead of the normal +IV state. Such a transition can even occur for Sn on its native site. Thus, we compare to the respective defect behavior in the kesterite Cu2ZnGeSe4, which has a similar band gap, but a less pronounced multi-valency of the respective IV-valent element Ge. [4pt] [1] S. Lany and A. Zunger, Phys. Rev. Lett. 100, 016401 (2008).

  9. Synthesis of the first fluoro(phosphanyl)- and diphosphanyl-stannanes and surprising formation of [P(SnMe3)4]+ SiF5-.

    PubMed

    Driess, Matthias; Merz, Klaus; Monsé, Christian

    2003-10-21

    Monophosphanylation of the difluorostannane Is2SnF2 (Is = 2,4,6-triisopropylphenyl) with Si(PH2)4 furnishes the first isolable fluoro(phosphanyl)stannane Is2Sn(F)PH2 1, which readily undergoes unique SiO2-assisted decompostion to [Is2Sn(PH)]2 2 and HF, while further phosphanylation of 1 leads to the remarkably stable diphosphanylstannane Is2Sn(PH2)2 3; the latter reacts with Me3SnF at the glass-wall to give the first perstannylphosphonium pentafluorosilicate [P(SnMe3)4]+ SiF5- 4. PMID:14594304

  10. Advanced HF anti-jam network architecture

    NASA Astrophysics Data System (ADS)

    Jackson, E. M.; Horner, Robert W.; Cai, Khiem V.

    The Hughes HF2000 system was developed using a flexible architecture which utilizes a wideband RF front-end and extensive digital signal processing. The HF2000 antijamming (AJ) mode was field tested via an HF skywave path between Fullerton, CA and Carlsbad, CA (about 100 miles), and it was shown that reliable fast frequency-hopping data transmission is feasible at 2400 b/s without adaptive equalization. The necessary requirements of an HF communication network are discussed, and how the HF2000 AJ mode can be used to support those requirements is shown. The Hughes HF2000 AJ mode system architecture is presented.

  11. Probing the Interstellar Medium along the Lines of Sight to Supernovae SN 1994D and SN 1994I: Erratum

    NASA Astrophysics Data System (ADS)

    Ho, Luis C.; Filippenko, Alexei V.

    1996-06-01

    In the paper "Probing the Interstellar Medium along the Lines of Sight to Supernovae SN 1994D and SN 19941" by Luis C. Ho and Alexei V. Filippenko (ApJ, 444,165 [1995]; hereafter HF95), SN 1994D was assumed to be on the approaching side of its host galaxy, NGC 4526. The authors wish to correct this assumption. Long-slit optical spectra (resolution 6-7 A) obtained on 1994 March 18 UT with the 3 m Shane reflector at Lick Observatory exhibit Hα and [N II] λλ6548, 6583 emission lines that clearly show that SN 1994D is on the receding side of the galaxy, at a heliocentric velocity of ~850 km s^-1^ (The heliocentric systemic velocity of NGC 4526, measured at the nucleus, is ~620 km s^-1^, higher than the value of ~450 km s^-1^ often cited in the literature [e.g., the Revised Shapley-Ames Catalog of Bright Galaxies].) Thus, "system 6" in the high-resolution Keck spectrum of SN 1994D (Table 1 of HF95), at v = 709 km s^-1^, is almost certainly produced by gas in the outer regions of the gas/dust disk of NGC 4526, along the line of sight to the supernova (which is assumed to be within, or close to, the disk). Its velocity is not "anomalous," and it is unlikely to be of intergalactic origin, contrary to the previous conclusion of the paper. The revised value for the velocity of SN 1994D also suggests that systems 2-5 in Table 1 of HF95, all of which have heliocentric velocities in the range 200-250 km s^-1^, are not produced in the disk of NGC 4526; instead, they almost certainly correspond to "high-velocity clouds" (HVCs) associated with the Milky Way. Hence, they are similar to systems 3-5 along the line of sight to SN 1994I in M51 (HF95). In support of this, the authors note that Kumar & Thonnard (AJ, 88,260 [1983]) detect H I emission centered on heliocentric velocity 215 km s^-1^ at several different positions toward NGC 4526, in good agreement with the average velocity of the Na I absorption lines in our Keck spectrum; they conclude that the H I emission is produced

  12. SrZn{sub 2}Sn{sub 2} and Ca{sub 2}Zn{sub 3}Sn{sub 6} - two new Ae-Zn-Sn polar intermetallic compounds (Ae: alkaline earth metal)

    SciTech Connect

    Stegmaier, Saskia; Faessler, Thomas F.

    2012-08-15

    SrZn{sub 2}Sn{sub 2} and Ca{sub 2}Zn{sub 3}Sn{sub 6}, two closely related new polar intermetallic compounds, were obtained by high temperature reactions of the elements. Their crystal structures were determined with single crystal XRD methods, and their electronic structures were analyzed by means of DFT calculations. The Zn-Sn structure part of SrZn{sub 2}Sn{sub 2} comprises (anti-)PbO-like {l_brace}ZnSn{sub 4/4}{r_brace} and {l_brace}SnZn{sub 4/4}{r_brace} layers. Ca{sub 2}Zn{sub 3}Sn{sub 6} shows similar {l_brace}ZnSn{sub 4/4}{r_brace} layers and {l_brace}Sn{sub 4}Zn{r_brace} slabs constructed of a covalently bonded Sn scaffold capped by Zn atoms. For both phases, the two types of layers are alternatingly stacked and interconnected via Zn-Sn bonds. SrZn{sub 2}Sn{sub 2} adopts the SrPd{sub 2}Bi{sub 2} structure type, and Ca{sub 2}Zn{sub 3}Sn{sub 6} is isotypic to the R{sub 2}Zn{sub 3}Ge{sub 6} compounds (R=La, Ce, Pr, Nd). Band structure calculations indicate that both SrZn{sub 2}Sn{sub 2} and Ca{sub 2}Zn{sub 3}Sn{sub 6} are metallic. Analyses of the chemical bonding with the electron localization function (ELF) show lone pair like basins at Sn atoms and Zn-Sn bonding interactions between the layers for both title phases, and covalent Sn-Sn bonding within the {l_brace}Sn{sub 4}Zn{r_brace} layers of Ca{sub 2}Zn{sub 3}Sn{sub 6}. - Graphical abstract: Crystal structures of the new Ae-Zn-Sn polar intermetallic phases SrZn{sub 2}Sn{sub 2} and Ca{sub 2}Zn{sub 3}Sn{sub 6}. Highlights: Black-Right-Pointing-Pointer New polar intermetallic phases SrZn{sub 2}Sn{sub 2} and Ca{sub 2}Zn{sub 3}Sn{sub 6}. Black-Right-Pointing-Pointer Obtained by high temperature reactions of the elements. Black-Right-Pointing-Pointer Single crystal XRD structure determination and DFT electronic structure calculations. Black-Right-Pointing-Pointer Closely related crystal and electronic structures. Black-Right-Pointing-Pointer Metallic conductivity coexisting with lone pairs and covalent bonding

  13. Critical thickness for strain relaxation of Ge1-xSnx (x ≤ 0.17) grown by molecular beam epitaxy on Ge(001)

    NASA Astrophysics Data System (ADS)

    Wang, Wei; Zhou, Qian; Dong, Yuan; Tok, Eng Soon; Yeo, Yee-Chia

    2015-06-01

    We investigated the critical thickness (hc) for plastic relaxation of Ge1-xSnx grown by molecular beam epitaxy. Ge1-xSnx films with various Sn mole fraction x (x ≤ 0.17) and different thicknesses were grown on Ge(001). The strain relaxation of Ge1-xSnx films and the hc were investigated by high-resolution x-ray diffraction and reciprocal space mapping. It demonstrates that the measured hc values of Ge1-xSnx layers are as much as an order of magnitude larger than that predicted by the Matthews and Blakeslee (M-B) model. The People and Bean (P-B) model was also used to predict the hc values in Ge1-xSnx/Ge system. The measured hc values for various Sn content follow the trend, but slightly larger than that predicted by the P-B model.

  14. Few-layer SnSe2 transistors with high on/off ratios

    NASA Astrophysics Data System (ADS)

    Pei, Tengfei; Bao, Lihong; Wang, Guocai; Ma, Ruisong; Yang, Haifang; Li, Junjie; Gu, Changzhi; Pantelides, Sokrates; Du, Shixuan; Gao, Hong-jun

    2016-02-01

    We report few-layer SnSe2 field effect transistors (FETs) with high current on/off ratios. By trying different gate configurations, 300 nm SiO2 and 70 nm HfO2 as back gate only and 70 nm HfO2 as back gate combined with a top capping layer of polymer electrolyte, few-layer SnSe2 FET with a current on/off ratio of 104 can be obtained. This provides a reliable solution for electrically modulating quasi-two-dimensional materials with high electron density (over 1013 cm-2) for field-effect transistor applications.

  15. Chemical Bonding, Interfaces and Defects in Hafnium Oxide/Germanium Oxynitride Gate Stacks on Ge (100)

    SciTech Connect

    Oshima, Yasuhiro; Sun, Yun; Kuzum, Duygu; Sugawara, Takuya; Saraswat, Krishna C.; Pianetta, Piero; McIntyre, Paul C.; /Stanford U., Materials Sci. Dept.

    2008-10-31

    Correlations among interface properties and chemical bonding characteristics in HfO{sub 2}/GeO{sub x}N{sub y}/Ge MIS stacks were investigated using in-situ remote nitridation of the Ge (100) surface prior to HfO{sub 2} atomic layer deposition (ALD). Ultra thin ({approx}1.1 nm), thermally stable and aqueous etch-resistant GeO{sub x}N{sub y} interfaces layers that exhibited Ge core level photoelectron spectra (PES) similar to stoichiometric Ge{sub 3}N{sub 4} were synthesized. To evaluate GeO{sub x}N{sub y}/Ge interface defects, the density of interface states (D{sub it}) was extracted by the conductance method across the band gap. Forming gas annealed (FGA) samples exhibited substantially lower D{sub it} ({approx} 1 x 10{sup 12} cm{sup -2} eV{sup -1}) than did high vacuum annealed (HVA) and inert gas anneal (IGA) samples ({approx} 1x 10{sup 13} cm{sup -2} eV{sup -1}). Germanium core level photoelectron spectra from similar FGA-treated samples detected out-diffusion of germanium oxide to the HfO{sub 2} film surface and apparent modification of chemical bonding at the GeO{sub x}N{sub y}/Ge interface, which is related to the reduced D{sub it}.

  16. Combined wet and dry cleaning of SiGe(001)

    SciTech Connect

    Park, Sang Wook; Kaufman-Osborn, Tobin; Kim, Hyonwoong; Siddiqui, Shariq; Sahu, Bhagawan; Yoshida, Naomi; Brandt, Adam; Kummel, Andrew C.

    2015-07-15

    Combined wet and dry cleaning via hydrofluoric acid (HF) and atomic hydrogen on Si{sub 0.6}Ge{sub 0.4}(001) surface was studied at the atomic level using ultrahigh vacuum scanning tunneling microscopy (STM), scanning tunneling spectroscopy (STS), and x-ray photoelectron spectroscopy to understand the chemical transformations of the surface. Aqueous HF removes native oxide, but residual carbon and oxygen are still observed on Si{sub 0.6}Ge{sub 0.4}(001) due to hydrocarbon contamination from post HF exposure to ambient. The oxygen contamination can be eliminated by shielding the sample from ambient via covering the sample in the HF cleaning solution until the sample is introduced to the vacuum chamber or by transferring the sample in an inert environment; however, both processes still leave carbon contaminant. Dry in-situ atomic hydrogen cleaning above 330 °C removes the carbon contamination on the surface consistent with a thermally activated atomic hydrogen reaction with surface hydrocarbon. A postdeposition anneal at 550 °C induces formation of an atomically flat and ordered SiGe surface observed by STM. STS verifies that the wet and dry cleaned surface has an unpinned Fermi level with no states between the conduction and valence band edge comparable to sputter cleaned SiGe surfaces.

  17. Centrifugal stretching along the ground state band of {sup 168}Hf

    SciTech Connect

    Costin, A.; Pietralla, N.; Reese, M.; Moeller, O.; Ai, H.; Casten, R. F.; Heinz, A.; McCutchan, E. A.; Meyer, D. A.; Qian, J.; Werner, V.; Dusling, K.; Fitzpatrick, C. R.; Guerdal, G.; Petkov, P.; Rainovski, G.

    2009-02-15

    The lifetimes of the J{sup {pi}}=4{sup +}, 6{sup +}, 8{sup +}, and 10{sup +} levels along the ground state band in {sup 168}Hf were measured by means of the recoil distance Doppler shift (RDDS) method using the New Yale Plunger Device (NYPD) and the SPEEDY detection array at Wright Nuclear Structure Laboratory of Yale University. Excited states in {sup 168}Hf were populated using the {sup 124}Sn({sup 48}Ti,4n) fusion evaporation reaction. The new lifetime values are sufficiently precise to clearly prove the increase of quadrupole deformation as a function of angular momentum in the deformed nucleus {sup 168}Hf. The data agree with the predictions from the geometrical confined {beta}-soft (CBS) rotor model that involves centrifugal stretching in a soft potential.

  18. In-beam {gamma}-ray spectroscopy in the vicinity of {sup 100}Sn.

    SciTech Connect

    Seweryniak, D.

    1998-09-29

    In recent years, in-beam x-ray experiments supplied a vast amount of data on high-spin states in nuclei in the vicinity of {sup 100}Sn. The present contribution reviews spectroscopic information obtained recently for N {ge} 50 nuclei around {sup 100}Sn, with emphasis on isomer studies, and discusses selected results in the frame of the shell model.

  19. The dipolar endofullerene HF@C60.

    PubMed

    Krachmalnicoff, Andrea; Bounds, Richard; Mamone, Salvatore; Alom, Shamim; Concistrè, Maria; Meier, Benno; Kouřil, Karel; Light, Mark E; Johnson, Mark R; Rols, Stéphane; Horsewill, Anthony J; Shugai, Anna; Nagel, Urmas; Rõõm, Toomas; Carravetta, Marina; Levitt, Malcolm H; Whitby, Richard J

    2016-10-01

    The cavity inside fullerenes provides a unique environment for the study of isolated atoms and molecules. We report the encapsulation of hydrogen fluoride inside C60 using molecular surgery to give the endohedral fullerene HF@C60. The key synthetic step is the closure of the open fullerene cage with the escape of HF minimized. The encapsulated HF molecule moves freely inside the cage and exhibits quantization of its translational and rotational degrees of freedom, as revealed by inelastic neutron scattering and infrared spectroscopy. The rotational and vibrational constants of the encapsulated HF molecules were found to be redshifted relative to free HF. The NMR spectra display a large (1)H-(19)F J coupling typical of an isolated species. The dipole moment of HF@C60 was estimated from the temperature dependence of the dielectric constant at cryogenic temperatures and showed that the cage shields around 75% of the HF dipole. PMID:27657872

  20. The dipolar endofullerene HF@C60

    NASA Astrophysics Data System (ADS)

    Krachmalnicoff, Andrea; Bounds, Richard; Mamone, Salvatore; Alom, Shamim; Concistrè, Maria; Meier, Benno; Kouřil, Karel; Light, Mark E.; Johnson, Mark R.; Rols, Stéphane; Horsewill, Anthony J.; Shugai, Anna; Nagel, Urmas; Rõõm, Toomas; Carravetta, Marina; Levitt, Malcolm H.; Whitby, Richard J.

    2016-10-01

    The cavity inside fullerenes provides a unique environment for the study of isolated atoms and molecules. We report the encapsulation of hydrogen fluoride inside C60 using molecular surgery to give the endohedral fullerene HF@C60. The key synthetic step is the closure of the open fullerene cage with the escape of HF minimized. The encapsulated HF molecule moves freely inside the cage and exhibits quantization of its translational and rotational degrees of freedom, as revealed by inelastic neutron scattering and infrared spectroscopy. The rotational and vibrational constants of the encapsulated HF molecules were found to be redshifted relative to free HF. The NMR spectra display a large 1H-19F J coupling typical of an isolated species. The dipole moment of HF@C60 was estimated from the temperature dependence of the dielectric constant at cryogenic temperatures and showed that the cage shields around 75% of the HF dipole.

  1. Environmentally friendly HF (DF) lasers

    NASA Astrophysics Data System (ADS)

    Apollonov, V. V.

    2016-08-01

    Dedicated to the 100th anniversary of the birth of Academician A M Prokhorov, this paper reviews the physics of self-sustained volume discharge without preionization—self-initiated volume discharge (SIVD)—in the working mixtures of non-chain hydrofluoride HF (deuterofluoride (DF)) lasers. The dynamics of SIVD in discharge gaps with different geometries is thoroughly described. The mechanisms for the restriction of current density in a diffuse channel in electric discharges in SF6 and SF6 based mixtures (which determines whether SIVD is possible) are proposed and analyzed using simple models. The most probable mechanisms are the electron impact dissociation of SF6 and other mixture components, electron–ion recombination and electron attachment to vibrationally excited SF6 molecules. Starting from a comparative analysis of the rate coefficients of these processes, it is shown that electron–ion recombination is capable of compensating for electron detachment from negative ions via electron impact. It is also established that SIVD is not only observed in SF6, but also in other strongly electronegative gases. The factors that determine the uniformity of the active medium in non-chain HF (DF) lasers are analyzed. Some special features of non-chain HF (DF) lasers with different apertures operating are carefully examined. Consideration is given to the problem of increasing the aperture and discharge volume of non-chain HF (DF) lasers. Based on our experimental results, the possibility of increasing the energy of such lasers to ~1 kJ and above is shown.

  2. Environmentally friendly HF (DF) lasers

    NASA Astrophysics Data System (ADS)

    Apollonov, V. V.

    2016-08-01

    Dedicated to the 100th anniversary of the birth of Academician A M Prokhorov, this paper reviews the physics of self-sustained volume discharge without preionization—self-initiated volume discharge (SIVD)—in the working mixtures of non-chain hydrofluoride HF (deuterofluoride (DF)) lasers. The dynamics of SIVD in discharge gaps with different geometries is thoroughly described. The mechanisms for the restriction of current density in a diffuse channel in electric discharges in SF6 and SF6 based mixtures (which determines whether SIVD is possible) are proposed and analyzed using simple models. The most probable mechanisms are the electron impact dissociation of SF6 and other mixture components, electron-ion recombination and electron attachment to vibrationally excited SF6 molecules. Starting from a comparative analysis of the rate coefficients of these processes, it is shown that electron-ion recombination is capable of compensating for electron detachment from negative ions via electron impact. It is also established that SIVD is not only observed in SF6, but also in other strongly electronegative gases. The factors that determine the uniformity of the active medium in non-chain HF (DF) lasers are analyzed. Some special features of non-chain HF (DF) lasers with different apertures operating are carefully examined. Consideration is given to the problem of increasing the aperture and discharge volume of non-chain HF (DF) lasers. Based on our experimental results, the possibility of increasing the energy of such lasers to ~1 kJ and above is shown.

  3. Non-equilibrium induction of tin in germanium: towards direct bandgap Ge1-xSnx nanowires

    NASA Astrophysics Data System (ADS)

    Biswas, Subhajit; Doherty, Jessica; Saladukha, Dzianis; Ramasse, Quentin; Majumdar, Dipanwita; Upmanyu, Moneesh; Singha, Achintya; Ochalski, Tomasz; Morris, Michael A.; Holmes, Justin D.

    2016-04-01

    The development of non-equilibrium group IV nanoscale alloys is critical to achieving new functionalities, such as the formation of a direct bandgap in a conventional indirect bandgap elemental semiconductor. Here, we describe the fabrication of uniform diameter, direct bandgap Ge1-xSnx alloy nanowires, with a Sn incorporation up to 9.2 at.%, far in excess of the equilibrium solubility of Sn in bulk Ge, through a conventional catalytic bottom-up growth paradigm using noble metal and metal alloy catalysts. Metal alloy catalysts permitted a greater inclusion of Sn in Ge nanowires compared with conventional Au catalysts, when used during vapour-liquid-solid growth. The addition of an annealing step close to the Ge-Sn eutectic temperature (230 °C) during cool-down, further facilitated the excessive dissolution of Sn in the nanowires. Sn was distributed throughout the Ge nanowire lattice with no metallic Sn segregation or precipitation at the surface or within the bulk of the nanowires. The non-equilibrium incorporation of Sn into the Ge nanowires can be understood in terms of a kinetic trapping model for impurity incorporation at the triple-phase boundary during growth.

  4. Non-equilibrium induction of tin in germanium: towards direct bandgap Ge1−xSnx nanowires

    PubMed Central

    Biswas, Subhajit; Doherty, Jessica; Saladukha, Dzianis; Ramasse, Quentin; Majumdar, Dipanwita; Upmanyu, Moneesh; Singha, Achintya; Ochalski, Tomasz; Morris, Michael A.; Holmes, Justin D.

    2016-01-01

    The development of non-equilibrium group IV nanoscale alloys is critical to achieving new functionalities, such as the formation of a direct bandgap in a conventional indirect bandgap elemental semiconductor. Here, we describe the fabrication of uniform diameter, direct bandgap Ge1−xSnx alloy nanowires, with a Sn incorporation up to 9.2 at.%, far in excess of the equilibrium solubility of Sn in bulk Ge, through a conventional catalytic bottom-up growth paradigm using noble metal and metal alloy catalysts. Metal alloy catalysts permitted a greater inclusion of Sn in Ge nanowires compared with conventional Au catalysts, when used during vapour–liquid–solid growth. The addition of an annealing step close to the Ge-Sn eutectic temperature (230 °C) during cool-down, further facilitated the excessive dissolution of Sn in the nanowires. Sn was distributed throughout the Ge nanowire lattice with no metallic Sn segregation or precipitation at the surface or within the bulk of the nanowires. The non-equilibrium incorporation of Sn into the Ge nanowires can be understood in terms of a kinetic trapping model for impurity incorporation at the triple-phase boundary during growth. PMID:27095012

  5. Magnetic susceptibility of SnCr, SnMn, SnFe, SnCo and SnNi

    NASA Astrophysics Data System (ADS)

    Henger, U.; Korn, D.

    1984-11-01

    The initial ac susceptibility χ of vapour condensed Sn films with 3d transition metals is measured in situ. SnMn is a spin glass at concentrations up to 36 at% Mn. Spin glass behaviour in SnCr is only observed after annealing to temperatures between 220 and 300 K. This can be related to crystallization in the amorphous and disordered SnCr. SnFe and SnCo exhibit either temperature independent χ or χ below experimental detection. Above the percolation limit χ is getting large and temperature dependent. That is valid for Sn with 30 at% Fe or Co. In Sn films with 50 at% Ni the susceptibility is below the experimental limit.

  6. 0(gs)+ -->2(1)+ transition strengths in 106Sn and 108Sn.

    PubMed

    Ekström, A; Cederkäll, J; Fahlander, C; Hjorth-Jensen, M; Ames, F; Butler, P A; Davinson, T; Eberth, J; Fincke, F; Görgen, A; Górska, M; Habs, D; Hurst, A M; Huyse, M; Ivanov, O; Iwanicki, J; Kester, O; Köster, U; Marsh, B A; Mierzejewski, J; Reiter, P; Scheit, H; Schwalm, D; Siem, S; Sletten, G; Stefanescu, I; Tveten, G M; Van de Walle, J; Van Duppen, P; Voulot, D; Warr, N; Weisshaar, D; Wenander, F; Zielińska, M

    2008-07-01

    The reduced transition probabilities, B(E2; 0(gs)+ -->2(1)+), have been measured in the radioactive isotopes (108,106)Sn using subbarrier Coulomb excitation at the REX-ISOLDE facility at CERN. Deexcitation gamma rays were detected by the highly segmented MINIBALL Ge-detector array. The results, B(E2;0(gs)+ -->2(1)+)=0.222(19)e2b2 for 108Sn and B(E2; 0(gs)+-->2(1)+)=0.195(39)e2b2 for 106Sn were determined relative to a stable 58Ni target. The resulting B(E2) values are approximately 30% larger than shell-model predictions and deviate from the generalized seniority model. This experimental result may point towards a weakening of the N=Z=50 shell closure.

  7. 0gs+→21+ Transition Strengths in Sn106 and Sn108

    NASA Astrophysics Data System (ADS)

    Ekström, A.; Cederkäll, J.; Fahlander, C.; Hjorth-Jensen, M.; Ames, F.; Butler, P. A.; Davinson, T.; Eberth, J.; Fincke, F.; Görgen, A.; Górska, M.; Habs, D.; Hurst, A. M.; Huyse, M.; Ivanov, O.; Iwanicki, J.; Kester, O.; Köster, U.; Marsh, B. A.; Mierzejewski, J.; Reiter, P.; Scheit, H.; Schwalm, D.; Siem, S.; Sletten, G.; Stefanescu, I.; Tveten, G. M.; van de Walle, J.; van Duppen, P.; Voulot, D.; Warr, N.; Weisshaar, D.; Wenander, F.; Zielińska, M.

    2008-07-01

    The reduced transition probabilities, B(E2;0gs+→21+), have been measured in the radioactive isotopes Sn108,106 using subbarrier Coulomb excitation at the REX-ISOLDE facility at CERN. Deexcitation γ rays were detected by the highly segmented MINIBALL Ge-detector array. The results, B(E2;0gs+→21+)=0.222(19)e2b2 for Sn108 and B(E2;0gs+→21+)=0.195(39)e2b2 for Sn106 were determined relative to a stable Ni58 target. The resulting B(E2) values are ˜30% larger than shell-model predictions and deviate from the generalized seniority model. This experimental result may point towards a weakening of the N=Z=50 shell closure.

  8. Synthesis and photoluminescent properties of SnO-containing germanate and germanosilicate glasses

    NASA Astrophysics Data System (ADS)

    Chernov, A. I.; Denker, B. I.; Ermakov, R. P.; Galagan, B. I.; Iskhakova, L. D.; Sverchkov, S. E.; Velmiskin, V. V.; Dianov, E. M.

    2016-09-01

    Divalent tin-containing germanate glasses have demonstrated wide photoluminescence similar to that of tin silicate glasses discovered recently. In comparison with silicate glasses, the germanate glasses are characterized by longer emission lifetimes (145 ÷ 440 µs), emission peaking at 1.59 ÷ 1.64 µm and the absence of SnO disproportionation into SnO2 and Sn during glass synthesis. The potential fabrication of optical fiber via the SnC2O4 + GeO2 powder in silica tube method was demonstrated.

  9. Suppression of tin precipitation in SiSn alloy layers by implanted carbon

    SciTech Connect

    Gaiduk, P. I.; Lundsgaard Hansen, J. Nylandsted Larsen, A.

    2014-06-09

    By combining transmission electron microscopy and Rutherford backscattering spectrometry, we have identified carbon related suppression of dislocations and tin precipitation in supersaturated molecular-beam epitaxial grown SiSn alloy layers. Secondary ion mass spectrometry has exposed the accumulation of carbon in the SiSn layers after high temperature carbon implantation and high temperature thermal treatment. Strain-enhanced separation of point defects and formation of dopant-defect complexes are suggested to be responsible for the effects. The possibility for carbon assisted segregation-free high temperature growth of heteroepitaxial SiSn/Si and GeSn/Si structures is argued.

  10. Penta-terbium lithium tris-tannide, Tb(5)LiSn(3).

    PubMed

    Stetskiv, Andrij; Tarasiuk, Ivan; Misztal, Renata; Pavlyuk, Volodymyr

    2011-11-01

    The new ternary phase penta-terbium lithium tris-tannide, Tb(5)LiSn(3), crystallizes in the hexa-gonal Hf(5)CuSn(3) structure type, which is a 'filled' version of the binary RE(5)Sn(3) phases (Mn(5)Si(3)-type) (RE is rare earth). The asymmetric unit contains two Tb sites (site symmetries 3.2 and m2m), one Li site (site symmetry [Formula: see text].m) and one Sn site (site symmetry m2m). The 14-vertex Frank-Kasper polyhedra are typical for Li and Tb atoms. The environment of the Sn atom is a pseudo-Frank-Kasper polyhedron with a coordination number of 13 for the tin atom. One of the Tb atoms is enclosed in a 17-vertex polyhedron. The metallic type of bonding was indicated by an analysis of the inter-atomic distances.

  11. Penta­terbium lithium tris­tannide, Tb5LiSn3

    PubMed Central

    Stetskiv, Andrij; Tarasiuk, Ivan; Misztal, Renata; Pavlyuk, Volodymyr

    2011-01-01

    The new ternary phase penta­terbium lithium tris­tannide, Tb5LiSn3, crystallizes in the hexa­gonal Hf5CuSn3 structure type, which is a ‘filled’ version of the binary RE 5Sn3 phases (Mn5Si3-type) (RE is rare earth). The asymmetric unit contains two Tb sites (site symmetries 3.2 and m2m), one Li site (site symmetry .m) and one Sn site (site symmetry m2m). The 14-vertex Frank–Kasper polyhedra are typical for Li and Tb atoms. The environment of the Sn atom is a pseudo-Frank–Kasper polyhedron with a coordination number of 13 for the tin atom. One of the Tb atoms is enclosed in a 17-vertex polyhedron. The metallic type of bonding was indicated by an analysis of the inter­atomic distances. PMID:22219726

  12. Enhanced thermoelectric properties of n-type NbCoSn half-Heusler by improving phase purity

    NASA Astrophysics Data System (ADS)

    He, Ran; Huang, Lihong; Wang, Yumei; Samsonidze, Georgy; Kozinsky, Boris; Zhang, Qinyong; Ren, Zhifeng

    2016-10-01

    Here we report the thermoelectric properties of NbCoSn-based n-type half-Heuslers (HHs) that were obtained through arc melting, ball milling, and hot pressing process. With 10% Sb substitution at the Sn site, we obtained enhanced n-type properties with a maximum power factor reaching ˜35 μW cm-1 K-2 and figure of merit (ZT) value ˜0.6 in NbCoSn0.9Sb0.1. The ZT is doubled compared to the previous report. In addition, the specific power cost ( W-1) is decreased by ˜68% comparing to HfNiSn-based n-type HH because of the elimination of Hf.

  13. Ge1-x-ySixSny light emitting diodes on silicon for mid-infrared photonic applications

    NASA Astrophysics Data System (ADS)

    Gallagher, J. D.; Xu, C.; Senaratne, C. L.; Aoki, T.; Wallace, P. M.; Kouvetakis, J.; Menéndez, J.

    2015-10-01

    This paper reports initial the demonstration of prototype Ge1-x-ySixSny light emitting diodes with distinct direct and indirect edges and high quality I-V characteristics. The devices are fabricated on Si (100) wafers in heterostructure pin geometry [n-Ge/i-Ge1-x-ySixSny/p-Ge(Sn/Si)] using ultra low-temperature (T < 300 °C) depositions of the highly reactive chemical sources Si4H10, Ge4H10, Ge3H8, and SnD4. The Sn content in the i-Ge1-x-ySixSny layer was varied from ˜3.5% to 11%, while the Si content was kept constant near 3%. The Si/Sn amounts in the p-layer were selected to mitigate the lattice mismatch so that the top interface grows defect-free, thereby reducing the deleterious effects of mismatch-induced dislocations on the optical/electrical properties. The spectral responsivity plots of the devices reveal sharp and well-defined absorption edges that systematically red-shift in the mid-IR from 1750 to 2100 nm with increasing Sn content from 3.5% to 11%. The electroluminescence spectra reveal strong direct-gap emission peaks and weak lower energy shoulders attributed to indirect gaps. Both peaks in a given spectrum red-shift with increasing Sn content and their separation decreases as the material approaches direct gap conditions in analogy with binary Ge1-ySny counterparts. These findings-combined with the enhanced thermal stability of Ge1-x-ySixSny relative to Ge1-ySny and the observation that ternary alloy disorder does not adversely affect the emission properties—indicate that Ge1-x-ySixSny may represent a practical target system for future generations of group-IV light sources on Si.

  14. Materials and electrical characterization of molecular beam deposited CeO2 and CeO2/HfO2 bilayers on germanium

    NASA Astrophysics Data System (ADS)

    Brunco, D. P.; Dimoulas, A.; Boukos, N.; Houssa, M.; Conard, T.; Martens, K.; Zhao, C.; Bellenger, F.; Caymax, M.; Meuris, M.; Heyns, M. M.

    2007-07-01

    Properties of CeO2 and CeO2/HfO2 bilayers grown by molecular beam deposition on in situ prepared, oxide-free Ge(100) surfaces are reported here. Deposition is achieved by a simultaneous flux of electron-beam evaporated metal (Ce or Hf) and of remote plasma generated atomic oxygen. These conditions result in an interfacial layer (IL) between the cubic CeO2 and Ge substrate. Electron energy loss spectroscopy shows that this IL is comprised of Ge and O and a small amount of Ce, and x-ray photoelectron spectroscopy suggests that the Ge is in a mix of 2+ and 3+ oxidation states. A comparison of capacitance, conductance, and leakage data shows a higher quality dielectric for 225 °C deposition than for room temperature. However, CeO2-only deposition results in an unacceptably high leakage current due to the small CeO2 band gap, which is remedied by the use of CeO2/HfO2 bilayers. Using the Nicollian-Goetzberger method, interface trap densities in the mid 1011 eV-1 cm-2 are obtained for CeO2/HfO2 gate stacks on both n- and p-Ge.

  15. Electronic transport and atomic vibrational properties of semiconducting (Mg{sub 2}{sup 119}Sn) thin film.

    SciTech Connect

    Sahoo, B.; Adeagbo, W. A.; Stromberg, F.; Keune, W.; Schuster, E.; Peters, R.; Entel, P.; Luttjohann, S.; Gondorf, A.; Sturhahn, W.; Zhao, J.; Toellner, T.S.; Alp, E.E.; X-Ray Science Division; Univ. of Duisburg-Essen

    2006-12-26

    A polycrystalline Mg{sub 2}Sn thin film has been prepared by thermal co-evaporation in ultrahigh vacuum of Mg and Sn onto a naturally oxidized Si(100) substrate at -140 C. The structure of the sample was characterized by X-ray diffraction (XRD) and {sup 119}Sn conversion electron M{umlt o}ssbauer spectroscopy (CEMS). The semiconducting property of the Mg{sub 2}Sn thin film was confirmed by electrical resistance, magnetoresistance, Hall-effect and infrared spectroscopy measurements, and a value of {approx}0.2 eV was found for the electronic gap energy. The {sup 119}Sn-projected partial vibrational density of states (VDOS), g(E), has been measured by nuclear resonant inelastic X-ray scattering (NRIXS) of 23.878 keV synchrotron radiation. Together with g(E), other thermodynamic quantities such as the probability of recoilless absorption (f-factor), the average kinetic energy per Sn atom, the average force constant, and the vibrational entropy per Sn atom are obtained. The partial VDOS of both elements (Mg and Sn) has been calculated theoretically and reasonable agreement with the measured {sup 119}Sn-projected VDOS is observed. g(E) is characterized by a phonon energy gap ranging from {approx}17 to {approx}21 meV.

  16. Optical and electrical properties of undoped and doped Ge nanocrystals

    PubMed Central

    2012-01-01

    Size-dependent photoluminescence characteristics from Ge nanocrystals embedded in different oxide matrices have been studied to demonstrate the light emission in the visible wavelength from quantum-confined charge carriers. On the other hand, the energy transfer mechanism between Er ions and Ge nanocrystals has been exploited to exhibit the emission in the optical fiber communication wavelength range. A broad visible electroluminescence, attributed to electron hole recombination of injected carriers in Ge nanocrystals, has been achieved. Nonvolatile flash-memory devices using Ge nanocrystal floating gates with different tunneling oxides including SiO2, Al2O3, HfO2, and variable oxide thickness [VARIOT] tunnel barrier have been fabricated. An improved charge storage characteristic with enhanced retention time has been achieved for the devices using VARIOT oxide floating gate. PMID:22348653

  17. The intrinsic disorder related alloy scattering in ZrNiSn half-Heusler thermoelectric materials.

    PubMed

    Xie, Hanhui; Wang, Heng; Fu, Chenguang; Liu, Yintu; Snyder, G Jeffrey; Zhao, Xinbing; Zhu, Tiejun

    2014-01-01

    The intrinsic structural disorder dramatically affects the thermal and electronic transport in semiconductors. Although normally considered an ordered compound, the half-Heusler ZrNiSn displays many transport characteristics of a disordered alloy. Similar to the (Zr,Hf)NiSn based solid solutions, the unsubstituted ZrNiSn compound also exhibits charge transport dominated by alloy scattering, as demonstrated in this work. The unexpected charge transport, even in ZrNiSn which is normally considered fully ordered, can be explained by the Ni partially filling interstitial sites in this half-Heusler system. The influence of the disordering and defects in crystal structure on the electron transport process has also been quantitatively analyzed in ZrNiSn1-xSbx with carrier concentration nH ranging from 5.0 × 10(19) to 2.3 × 10(21) cm(-3) by changing Sb dopant content. The optimized carrier concentration nH ≈ 3-4 × 10(20) cm(-2) results in ZT ≈ 0.8 at 875K. This work suggests that MNiSn (M = Hf, Zr, Ti) and perhaps most other half-Heusler thermoelectric materials should be considered highly disordered especially when trying to understand the electronic and phonon structure and transport features.

  18. The intrinsic disorder related alloy scattering in ZrNiSn half-Heusler thermoelectric materials

    PubMed Central

    Xie, Hanhui; Wang, Heng; Fu, Chenguang; Liu, Yintu; Snyder, G. Jeffrey; Zhao, Xinbing; Zhu, Tiejun

    2014-01-01

    The intrinsic structural disorder dramatically affects the thermal and electronic transport in semiconductors. Although normally considered an ordered compound, the half-Heusler ZrNiSn displays many transport characteristics of a disordered alloy. Similar to the (Zr,Hf)NiSn based solid solutions, the unsubstituted ZrNiSn compound also exhibits charge transport dominated by alloy scattering, as demonstrated in this work. The unexpected charge transport, even in ZrNiSn which is normally considered fully ordered, can be explained by the Ni partially filling interstitial sites in this half-Heusler system. The influence of the disordering and defects in crystal structure on the electron transport process has also been quantitatively analyzed in ZrNiSn1-xSbx with carrier concentration nH ranging from 5.0×1019 to 2.3×1021 cm−3 by changing Sb dopant content. The optimized carrier concentration nH ≈ 3–4×1020 cm−2 results in ZT ≈ 0.8 at 875K. This work suggests that MNiSn (M = Hf, Zr, Ti) and perhaps most other half-Heusler thermoelectric materials should be considered highly disordered especially when trying to understand the electronic and phonon structure and transport features. PMID:25363573

  19. Effect of metal oxide additions to quality on Ge/GeO2 interfaces

    NASA Astrophysics Data System (ADS)

    Li, Hongfei; Robertson, John; Okuno, Yasutoshi

    2016-10-01

    Alloying amorphous GeO2 with Y2O3 or related group IIIA oxides is known experimentally to improve its properties as a gate dielectric in field effect transistors. The mechanism of this is studied here by density functional calculations. The metal site coordination is found to be 6-7, by increasing the oxygen coordination to 3 or higher. The alloying is found to increase the bulk modulus. Alloying also increases the diffusion energy of the oxygen vacancies in GeO2 next to the metal and also increases the vacancy formation energy of oxygens that are second neighbors of the metal sites. In this way, a relatively small metal concentration can reduce the O vacancy diffusion rate and thereby the GeO evolution rate. Oxygen vacancies at the Ge/GeO2 interface next to a metal site are found to divide into two types, those which rebond across the vacancy (La, Hf) and those without rebonding (Y, Sc, Al), the latter being preferable as they do not give rise to interfacial gap states.

  20. ASASSN-16hf: Discovery of A Probable Nova in M31

    NASA Astrophysics Data System (ADS)

    Nicolas, J.; Kiyota, S.; Brown, J. S.; Stanek, K. Z.; Holoien, T. W.-S.; Kochanek, C. S.; Godoy-Rivera, D.; Basu, U.; Shappee, B. J.; Prieto, J. L.; Bersier, D.; Dong, Subo; Chen, Ping; Brimacombe, J.; Fernandez, J. M.; Krannich, G.; Masi, G.; Post, R. S.; Stone, G.

    2016-07-01

    During the ongoing All Sky Automated Survey for SuperNovae (ASAS-SN or "Assassin"), using data from the quadruple 14-cm "Brutus" telescope in Haleakala, Hawaii, we discovered a new transient source, most likely a nova, in the nearby galaxy M31. ASASSN-16hf (AT 2016dah) was discovered in images obtained on UT 2016-07-14.54 at V~16.4 mag. We also detect the object in images obtained on UT 2016-07-13.52 (V~16.6).

  1. Can HF heating generate ESF bubbles?

    NASA Astrophysics Data System (ADS)

    Zawdie, K. A.; Huba, J. D.

    2014-12-01

    The injection of powerful HF waves into the ionosphere can lead to strong electron heating followed by a pressure perturbation which can locally reduce the plasma density. In the postsunset equatorial ionosphere, density perturbations can provide the seed to generate equatorial spread F (ESF) bubbles. In this paper, a modified version of the SAMI3/ESF ionosphere code is used to model the density depletions created by HF heating and to determine if ESF bubbles can be artificially generated. It is found that HF heating primarily redistributes plasma along the geomagnetic field and does not significantly perturb the flux tube integrated conductivities. Thus, HF heating does not appear to be a viable method to seed or generate ESF bubbles.

  2. Thermoelectric properties of Co(x)Ni(4-x)Sb(12-y)Sn(y) ternary skutterudites

    NASA Technical Reports Server (NTRS)

    Mackey, Jon A.; Dynys, Frederick W.; Sehirlioglu, Alp

    2014-01-01

    Thermoelectric materials based on the skutterudite crystal structure have demonstrated enhanced performance (ZT greater than 1), along with good thermal stability and favorable mechanical properties. Binary skutterudites, with single and multiple fillers, have been intensively studied in recent years. Compared to binary skutterudites, the ternary systems have received less attention, e.g. Ni4Sb8Sn4. Ternary skutterudites are isoelectronic variants of binary skutterudites; cation substitutions appear to be isostructural to their binary analogues. In general, ternary skutterudites exhibit lower thermal conductivity. Ternary systems of Ni4Bi8Ge4, Ni4Sb8Ge4, and Ni4Sb8Sn4 were investigated using combined solidification and sintering steps. Skutterudite formation was not achieved in the Ni4Bi8Ge4 and Ni4Sb8Ge4 systems; skutterudite formation occurred in Ni4Sb8Sn4 system. P-type material was achieved by Co substitution for Ni. Thermoelectric properties were measured from 298 K to 673 K for Ni4Sb8Sn4, Ni4 Sb7Sn5 and Co2Ni2Sb7Sn5. N-type Ni4Sb8Sn4 exhibit the highest figure of merit of 0.1 at 523 K.

  3. The Ho–Ni–Ge system: Isothermal section and new rare-earth nickel germanides

    SciTech Connect

    Morozkin, A.V.; Knotko, A.V.; Yapaskurt, V.O.; Yuan, Fang; Mozharivskyj, Y.; Pani, M.; Provino, A.; Manfrinetti, P.

    2015-05-15

    The Ho–Ni–Ge system has been investigated at 1070 K and up to ~60 at% Ho by X-ray diffraction and microprobe analyses. Besides the eight known compounds, HoNi{sub 5}Ge{sub 3} (YNi{sub 5}Si{sub 3}-type), HoNi{sub 2}Ge{sub 2} (CeAl{sub 2}Ga{sub 2}-type), Ho{sub 2}NiGe{sub 6} (Ce{sub 2}CuGe{sub 6}-type), HoNiGe{sub 3} (SmNiGe{sub 3}-type), HoNi{sub 0.2÷0.6}Ge{sub 2} (CeNiSi{sub 2}-type), Ho{sub 37÷34}Ni{sub 6÷24}Ge{sub 57÷42} (AlB{sub 2}-type), HoNiGe (TiNiSi-type), Ho{sub 3}NiGe{sub 2} (La{sub 3}NiGe{sub 2}-type), the ternary system contains four new compounds: Ho{sub 3}Ni{sub 11}Ge{sub 4} (Sc{sub 3}Ni{sub 11}Ge{sub 4}-type), HoNi{sub 3}Ge{sub 2} (ErNi{sub 3}Ge{sub 2}-type), Ho{sub 3}Ni{sub 2}Ge{sub 3} (Hf{sub 3}Ni{sub 2}Si{sub 3}-type) and ~Ho{sub 5}Ni{sub 2}Ge{sub 3} (unknown structure). Quasi-binary solid solutions were observed at 1070 K for Ho{sub 2}Ni{sub 17}, HoNi{sub 5}, HoNi{sub 7}, HoNi{sub 3}, HoNi{sub 2}, HoNi and Ho{sub 2}Ge{sub 3}, but no detectable solubility was found for the other binary compounds in the Ho–Ni–Ge system. Based on the magnetization measurements, the HoNi{sub 5}Ge{sub 3}, HoNi{sub 3}Ge{sub 2} and Ho{sub 3}Ni{sub 11}Ge{sub 4} (and isostructural (Tb, Dy){sub 3}Ni{sub 11}Ge{sub 4}) compounds have been found to show paramagnetic behavior down to 5 K, whereas Ho{sub 3}Ni{sub 2}Ge{sub 3} exhibits an antiferromagnetic transition at ~7 K. Additionally, the crystal structure of the new isostructural phases (Y, Yb)Ni{sub 3}Ge{sub 2} (ErNi{sub 3}Ge{sub 2}-type), Er{sub 3}Ni{sub 11}Ge{sub 4} (Sc{sub 3}Ni{sub 11}Ge{sub 4}-type) and (Y, Tb, Dy, Er, Tm){sub 3}Ni{sub 2}Ge{sub 3} (Hf{sub 3}Ni{sub 2}Si{sub 3}-type) has been also investigated. - Graphical abstract: The Ho–Ni–Ge system has been investigated at 1070 K and up to ~60 at.% Ho by X-ray and microprobe analyses. Besides the eight known compounds, i.e. HoNi{sub 5}Ge{sub 3} (YNi{sub 5}Si{sub 3}-type), HoNi{sub 2}Ge{sub 2} (CeAl{sub 2}Ga{sub 2}-type), Ho{sub 2}NiGe{sub 6} (Ce{sub 2

  4. Magnetoelastic properties of substituted Er1-xGdxMn6Sn6 intermetallic system

    NASA Astrophysics Data System (ADS)

    Tabatabai Yazdi, Sh.; Tajabor, N.; Roknabadi, M. Rezaee; Behdani, M.; Pourarian, F.

    2014-06-01

    The forced magnetostriction of polycrystalline samples of Er1-xGdxMn6Sn6 (0≤x≤1) intermetallics with hexagonal HfFe6Ge6-type structure is investigated in the temperature range of 77-480 K. Gd substitution has a significant effect on interatomic distances and especially on inter-sublattice R-Mn couplings. The replacement of Er by Gd results in increasing the ordering temperature followed by reinforcement of the R-Mn coupling, as well as decreasing the magnetostriction values owing to the S-state character of Gd3+ ions. The results show that the contribution of Er sublattice to anisotropic magnetoelastic effects is positive, while that of Gd and Mn is negative. All the examined samples exhibit considerable magnetovolume anomalies at the ordering temperature (TC=338, 381, 412 and 434 K for the samples with x=0, 0.2, 0.6 and 1.0, respectively). While the unsubstituted sample exhibits metamagnetic transitions, Gd-contained compounds do not show this behavior, owing to the strong Gd-Mn coupling. The experimental results obtained are discussed in the framework of the two-magnetic sublattice by bearing in mind the lattice parameter dependence of the interlayer Mn-Mn exchange interaction in these layered compounds. From the temperature dependence of magnetostriction values and considering the magnetostriction equation for a hexagonal structure, we attempt to determine the signs of some of the magnetostriction constants for these compounds and the influence of Gd substitution on them.

  5. Beta Decay of the Proton-Rich Nuclei 102Sn and 104Sn

    SciTech Connect

    Karny, M.; Batist, L.; Banu, A.; Becker, F.; Blazhev, A.; Brown, B. A.; Bruchle, W.; Doring, J.; Faestermann, T.; Gorska, M.; Grawe, H.; Janas, Z.; Jungclaus, A.; Kavatsyuk, M.; Kavatsyuk, O.; Kirchner, R.; La Commara, M.; Mandal, S.; Mazzocchi, C.; Miernik, K.; Mukha, I.; Muralithar, S.; Plettner, C.; Plochocki, A.; Roeckl, E.; Romoli, M.; Rykaczewski, Krzysztof Piotr; Schadel, M.; Schmidt, K.; Schwengner, R.; Zylicz, J.

    2006-01-01

    The {beta} decays of {sup 102}Sn and {sup 104}Sn were studied by using high-resolution germanium detectors as well as a Total Absorption Spectrometer (TAS). For {sup 104}Sn, with three new {beta}-delayed {gamma}-rays identified, the total Gamow-Teller strength (BGT) value of 2.7(3) was obtained. For {sup 102}Sn, the {gamma}-{gamma} coincidence data were collected for the first time, allowing us to considerably extend the decay scheme. This scheme was used to unfold the TAS data and to deduce a BGT value of 4.2(8) for this decay. This result is compared to shell model predictions, yielding a hindrance factor of 3.6(7) in agreement with those obtained previously for {sup 98}Cd and {sup 100}In. Together with the latter two, {sup 102}Sn completes the triplet of Z {le} 50, N {ge} 50 nuclei with two proton holes, one proton hole and one neutron particle, and two neutron particles with respect to the doubly magic {sup 100}Sn core.

  6. CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Structural Feature and Solute Trapping of Rapidly Grown Ni3Sn Intermetallic Compound

    NASA Astrophysics Data System (ADS)

    Qin, Hai-Yan; Wang, Wei-Li; Wei, Bing-Bo

    2009-11-01

    The rapid dendritic growth of primary Ni3Sn phase in undercooled Ni-30.9%Sn-5%Ge alloy is investigated by using the glass fluxing technique. The dendritic growth velocity of Ni3Sn compound is measured as a function of undercooling, and a velocity of 2.47 m/s is achieved at the maximum undercooling of 251 K (0.17TL). The addition of the Ge element reduces its growth velocity as compared with the binary Ni75Sn25 alloy. During rapid solidification, the Ni3Sn compound behaves like a normal solid solution and it displays a morphological transition of “coarse dendrite-equiaxed grain-vermicular structure" with the increase of undercooling. Significant solute trapping of Ge atoms occurs in the whole undercooling range.

  7. Structural changes in thermoelectric SnSe at high pressures.

    PubMed

    Loa, I; Husband, R J; Downie, R A; Popuri, S R; Bos, J-W G

    2015-02-25

    The crystal structure of the thermoelectric material tin selenide has been investigated with angle-dispersive synchrotron x-ray powder diffraction under hydrostatic pressure up to 27 GPa. With increasing pressure, a continuous evolution of the crystal structure from the GeS type to the higher-symmetry TlI type was observed, with a critical pressure of 10.5(3) GPa. The orthorhombic high-pressure modification, β'-SnSe, is closely related to the pseudo-tetragonal high-temperature modification at ambient pressure. The similarity between the changes of the crystal structure at elevated temperatures and at high pressures suggests the possibility that strained thin films of SnSe may provide a route to overcoming the problem of the limited thermal stability of β-SnSe at high temperatures.

  8. Direct gap Ge1-ySny alloys: Fabrication and design of mid-IR photodiodes

    NASA Astrophysics Data System (ADS)

    Senaratne, C. L.; Wallace, P. M.; Gallagher, J. D.; Sims, P. E.; Kouvetakis, J.; Menéndez, J.

    2016-07-01

    Chemical vapor deposition methods were developed, using stoichiometric reactions of specialty Ge3H8 and SnD4 hydrides, to fabricate Ge1-ySny photodiodes with very high Sn concentrations in the 12%-16% range. A unique aspect of this approach is the compatible reactivity of the compounds at ultra-low temperatures, allowing efficient control and systematic tuning of the alloy composition beyond the direct gap threshold. This crucial property allows the formation of thick supersaturated layers with device-quality material properties. Diodes with composition up to 14% Sn were initially produced on Ge-buffered Si(100) featuring previously optimized n-Ge/i-Ge1-ySny/p-Ge1-zSnz type structures with a single defected interface. The devices exhibited sizable electroluminescence and good rectifying behavior as evidenced by the low dark currents in the I-V measurements. The formation of working diodes with higher Sn content up to 16% Sn was implemented by using more advanced n-Ge1-xSnx/i-Ge1-ySny/p-Ge1-zSnz architectures incorporating Ge1-xSnx intermediate layers (x ˜ 12% Sn) that served to mitigate the lattice mismatch with the Ge platform. This yielded fully coherent diode interfaces devoid of strain relaxation defects. The electrical measurements in this case revealed a sharp increase in reverse-bias dark currents by almost two orders of magnitude, in spite of the comparable crystallinity of the active layers. This observation is attributed to the enhancement of band-to-band tunneling when all the diode layers consist of direct gap materials and thus has implications for the design of light emitting diodes and lasers operating at desirable mid-IR wavelengths. Possible ways to engineer these diode characteristics and improve carrier confinement involve the incorporation of new barrier materials, in particular, ternary Ge1-x-ySixSny alloys. The possibility of achieving type-I structures using binary and ternary alloy combinations is discussed in detail, taking into account

  9. HF Accelerated Electron Fluxes, Spectra, and Ionization

    NASA Astrophysics Data System (ADS)

    Carlson, Herbert C.; Jensen, Joseph B.

    2015-10-01

    Wave particle interactions, an essential aspect of laboratory, terrestrial, and astrophysical plasmas, have been studied for decades by transmitting high power HF radio waves into Earth's weakly ionized space plasma, to use it as a laboratory without walls. Application to HF electron acceleration remains an active area of research (Gurevich in Usp Fizicheskikh Nauk 177(11):1145-1177, 2007) today. HF electron acceleration studies began when plasma line observations proved (Carlson et al. in J Atmos Terr Phys 44:1089-1100, 1982) that high power HF radio wave-excited processes accelerated electrons not to ~eV, but instead to -100 times thermal energy (10 s of eV), as a consequence of inelastic collision effects on electron transport. Gurevich et al (J Atmos Terr Phys 47:1057-1070, 1985) quantified the theory of this transport effect. Merging experiment with theory in plasma physics and aeronomy, enabled prediction (Carlson in Adv Space Res 13:1015-1024, 1993) of creating artificial ionospheres once ~GW HF effective radiated power could be achieved. Eventual confirmation of this prediction (Pedersen et al. in Geophys Res Lett 36:L18107, 2009; Pedersen et al. in Geophys Res Lett 37:L02106, 2010; Blagoveshchenskaya et al. in Ann Geophys 27:131-145, 2009) sparked renewed interest in optical inversion to estimate electron spectra in terrestrial (Hysell et al. in J Geophys Res Space Phys 119:2038-2045, 2014) and planetary (Simon et al. in Ann Geophys 29:187-195, 2011) atmospheres. Here we present our unpublished optical data, which combined with our modeling, lead to conclusions that should meaningfully improve future estimates of the spectrum of HF accelerated electron fluxes. Photometric imaging data can significantly improve detection of emissions near ionization threshold, and confirm depth of penetration of accelerated electrons many km below the excitation altitude. Comparing observed to modeled emission altitude shows future experiments need electron density profiles

  10. The first principle study of magnetic properties of Mn2WSn, Fe2YSn (Y=Ti, V), Co2YSn (Y=Ti, Zr, Hf, V, Mn) and Ni2YSn (Y=Ti, Zr, Hf, V, Mn) heusler alloys

    NASA Astrophysics Data System (ADS)

    Rauf, Sana; Arif, Suneela; Haneef, Muhammad; Amin, Bin

    2015-01-01

    The spin polarized electronic band structures, density of states (DOS) and magnetic properties of Mn2WSn, Fe2YSn (Y=Ti, V), Co2YSn (Y=Ti, Zr, Hf, V, Mn) and Ni2YSn (Y=Ti, Zr, Hf, V, Mn) huesler compounds are reported. The calculations are performed by using full-potential linearized augmented plane wave method (FP-LAPW) within density functional theory. The magnetic trend in these compounds is studied using values of magnetic moments, exchange interaction and calculated band gap. The results reveal that Mn2WSn and Ni2VSn show 100% spin polarization, Co2YSn (Y=Ti, Zr, Hf, Mn), Fe2YSn (Y=Ti, V), and Ni2MnSn exhibit metallic nature and Ni2YSn (Y=Ti, Zr, Hf) and Co2VSn show semi-conducting behavior.

  11. Lu-Hf constraints on the evolution of lunar basalts

    SciTech Connect

    Fujimaki, H.; Tatsumoto, M.

    1984-02-15

    Very low Ti basalts andd green glass samples from the moon show high Lu/Hf ratios and low Hf concentrations. Low-Ti lunar basalts show high and variable Lu/Hf ratios and higher Hf concentrations, whereas high-Ti lunar basalts show low Lu/Hf ratios and high Hf concentrations. KREEP basalts have constant Lu/Hf ratios and high but variable Hf concentrations. Using the Lu-Hf behavior as a constraint, we propose a model for the mare basalts evolution. This constraint requires extensive crystallization of the primary lunar magma ocean prior to formation of the lunar mare basalt sources and the KREEP basalts. Mare basalts are produced by the melting of the cumulate rocks, and KREEP basalts represent the residual liquid of the magma ocean.

  12. Comparison of HfCl4, HfI4, TEMA-Hf, and TDMA-Hf as precursors in early growing stages of HfO2 films deposited by ALD: A DFT study

    NASA Astrophysics Data System (ADS)

    Cortez-Valadez, M.; Fierro, C.; Farias-Mancilla, J. R.; Vargas-Ortiz, A.; Flores-Acosta, M.; Ramírez-Bon, R.; Enriquez-Carrejo, J. L.; Soubervielle-Montalvo, C.; Mani-Gonzalez, P. G.

    2016-06-01

    The final structure of HfO2 films grown by atomic layer deposition (ALD) after reaction with OH- ions has been analyzed by DFT (density functional theory). The interaction of the precursors: HfCl4 (hafnium tetrachloride), HfI4 (hafnium tetraiodide), TEMA-Hf (tetrakis-ethylmethylamino hafnium), and TDMA-Hf (tetrakis-dimethylamino hafnium) with HO-H was studied employing the B3LYP (Becke 3-parameter, Lee-Yang-Parr) hybrid functional and the PBE (Perdew-Burke-Ernzerhof) generalized gradient functional. The structural evolution at the Si(100) surface has been analyzed by LDA (local density approximation). The structural parameters: bond length and bond angle, and the vibrational parameters for the optimized structures are also reported. The presence of hafnium silicate at the interface was detected. The infrared spectra and structural parameters obtained in this work agree with previously reported experimental results.

  13. Schirmwirkung von Hochfrequenz (HF)-Schutzkleidung: Untersuchung verschiedener Konstruktionsmerkmale

    NASA Astrophysics Data System (ADS)

    Arps, V.; Scheibe, K.

    2005-05-01

    Die Messverfahren zur Bestimmung der Schutzwirkung von HF-Schutzkleidung sind in der Norm DIN 32780-100 festgelegt. Entsprechend diesen Anforderungen wird die elektrische und magnetische Schirmdämpfung bestimmt und daraus als Maß für die Schutzwirkung die elektromagnetische Schirmdämpfung berechnet. Diese ist eine der SAR vergleichbare Größe. In diesem Beitrag werden die Einflüsse verschiedener Konstruktionsmerkmale von HF-Schutzanzügen auf die elektromagnetische Schirmdämpfung untersucht. Zu diesen gehören die nach MIL STD 285 vermessene elektrische Schirmdämpfung der verwendeten Gewebe. Weiter werden verschiedene Teilbereiche der HF-Schutzkleidung auf ihre Schutzwirkung untersucht. Der Schwerpunkt liegt hierbei auf der Fragestellung inwieweit Verschlüsse, Reißverschlüsse oder leitfähiges Klettband, die Schutzwirkung beeinträchtigen. Zu diesem Zweck werden zwei Schutzanzüge unterschiedlicher Konstruktion vergleichend vermessen. Es handelt sich dabei um einen bereits im Handel befindlichen und entsprechend der Norm zertifizierten Anzug und einen neuen Prototyp, welcher nach verschiedenen Gesichtspunkten optimiert wurde. Schwachstellen der Konstruktion werden herausgearbeitet und Ansatzpunkte für weitere Verbesserungen erarbeitet. The measuring methods for determining the shielding effectiveness of radiofrequency (RF)-protective clothing are defined in German Standard DIN 32780-100. According to this standard, both the electric and the magnetic shielding effectiveness are measured in order to calculate the electromagnetic shielding effectiveness. The electromagnetic shielding effectiveness is an adequate quality criterion for the degree of protection and also compares well with the Specific Absorption Rate (SAR). In this article, the impact of different design features on the electromagnetic shielding effectiveness is analyzed. The electric shielding effectiveness of the used shielding materials is measured according to MIL STD 285 and thereupon

  14. HF Radio Wave Production of Artificial Ionospheres

    NASA Astrophysics Data System (ADS)

    Carlson, Herbert

    In 1993 it was predicted that artificial ionospheres would be produced by high power HF radio waves, once HF transmitters approached a GWatt ERP. When that threshold was very recently achieved, such production was indeed detected and published at two high latitude high power HF facilities. Here we review: the first-principles logic behind that prediction, which aspects of such production are critically dependent on magnetic latitude, and which aspects of such production depend only on physical parameters independent of latitude. These distinctions follow directly from decomposition of the problem of ionization production into its components of: radio-wave propagation, wave-particle interactions, electron transport, and quantitative elastic/inelastic cross-sections. We outline this analysis to show that, within the context of early observations, the production of ionization is inevitable, and only a question of competing instability thresholds, and scale of ionization production. This illustrates complimentary aeronomy and plasma physics to advance understanding of both.

  15. HF emissions in manufacturing traditional ceramics

    SciTech Connect

    Brosnan, D.A.

    1997-01-01

    Hydrogen fluoride (HF) evolves in kiln drafts during the preheating of clay-based ceramics. The fluorine source is clay dehydroxylation, i.e., the decomposition of clay crystals. Fluorine evolution can continue in the kiln soak zone as fluorine compounds formed during the initial fluorine-evolution period eventually decompose. Because North America clays exhibit a wide range of fluorine content--typically 200--1,200 ppm--the quantity of HF emitted varies considerably from one manufacturing site to another. Variables in firing--such as preheat rate, soak temperature and exit gas temperature--also affect the emission quantity. Because HF is classified as a hazardous air pollutant under the US Clean Air Act, it is subject to federal regulation, and individual states can impose more stringent regulations than the federal standards. Several states already have imposed such regulations.

  16. The Effect of Aluminum Oxide Incorporation on the Material And Electrical Properties of Hafnium Oxide on Ge

    SciTech Connect

    Sawkar-Mathur, M.; Perng, Y.-C.; Lu, J.; Blom, H.-O.; Bargar, J.; Chang, J.P.

    2009-05-27

    Hafnium aluminate thin films were synthesized by atomic layer deposition (ALD) to assess the effect of aluminum oxide incorporation on the dielectric/Ge interfacial properties. In these Hf{sub x}Al{sub y}O{sub z} thin films, the Hf to Al cation ratio was effectively controlled by changing the ratio of hafnium oxide to aluminum oxide ALD cycles, while their short range order was changed upon increasing aluminum oxide incorporation, as observed by extended x-ray absorption fine structure analysis. The incorporation of aluminum oxide was shown to improve the electrical characteristics of hafnium oxide/Ge devices, including lower interface state densities and leakage current densities.

  17. SnS2- Compared to SnO2-Stabilized S/C Composites toward High-Performance Lithium Sulfur Batteries.

    PubMed

    Li, Xiaona; Lu, Yue; Hou, Zhiguo; Zhang, Wanqun; Zhu, Yongchun; Qian, Yitai; Liang, Jianwen; Qian, Yitai

    2016-08-01

    The common sulfur/carbon (S/C) composite cathodes in lithium sulfur batteries suffer gradual capacity fading over long-term cycling incurred by the poor physical confinement of sulfur in a nonpolar carbon host. In this work, these issues are significantly relieved by introducing polar SnO2 or SnS2 species into the S/C composite. SnO2- or SnS2-stabilized sulfur in porous carbon composites (SnO2/S/C and SnS2/S/C) have been obtained through a baked-in-salt or sealed-in-vessel approach at 245 °C, starting from metallic tin (mp 231.89 °C), excess sulfur, and porous carbon. Both of the in situ-formed SnO2 and SnS2 in the two composites could ensure chemical interaction with lithium polysulfide (LiPS) intermediates proven by theoretical calculation. Compared to SnO2/S/C, the SnS2/S/C sample affords a more appropriate binding effect and shows lower charge transfer resistance, which is important for the efficient redox reaction of the adsorbed LiPS intermediates during cycling. When used as cathodes for Li-S batteries, the SnS2/S/C composite with sulfur loading of 78 wt % exhibits superior electrochemical performance. It delivers reversible capacities of 780 mAh g(-1) after 300 cycles at 0.5 C. When further coupled with a Ge/C anode, the full cell also shows good cycling stability and efficiency. PMID:27419855

  18. SnS2- Compared to SnO2-Stabilized S/C Composites toward High-Performance Lithium Sulfur Batteries.

    PubMed

    Li, Xiaona; Lu, Yue; Hou, Zhiguo; Zhang, Wanqun; Zhu, Yongchun; Qian, Yitai; Liang, Jianwen; Qian, Yitai

    2016-08-01

    The common sulfur/carbon (S/C) composite cathodes in lithium sulfur batteries suffer gradual capacity fading over long-term cycling incurred by the poor physical confinement of sulfur in a nonpolar carbon host. In this work, these issues are significantly relieved by introducing polar SnO2 or SnS2 species into the S/C composite. SnO2- or SnS2-stabilized sulfur in porous carbon composites (SnO2/S/C and SnS2/S/C) have been obtained through a baked-in-salt or sealed-in-vessel approach at 245 °C, starting from metallic tin (mp 231.89 °C), excess sulfur, and porous carbon. Both of the in situ-formed SnO2 and SnS2 in the two composites could ensure chemical interaction with lithium polysulfide (LiPS) intermediates proven by theoretical calculation. Compared to SnO2/S/C, the SnS2/S/C sample affords a more appropriate binding effect and shows lower charge transfer resistance, which is important for the efficient redox reaction of the adsorbed LiPS intermediates during cycling. When used as cathodes for Li-S batteries, the SnS2/S/C composite with sulfur loading of 78 wt % exhibits superior electrochemical performance. It delivers reversible capacities of 780 mAh g(-1) after 300 cycles at 0.5 C. When further coupled with a Ge/C anode, the full cell also shows good cycling stability and efficiency.

  19. Removal of uranium from aqueous HF solutions

    DOEpatents

    Pulley, Howard; Seltzer, Steven F.

    1980-01-01

    This invention is a simple and effective method for removing uranium from aqueous HF solutions containing trace quantities of the same. The method comprises contacting the solution with particulate calcium fluoride to form uranium-bearing particulates, permitting the particulates to settle, and separting the solution from the settled particulates. The CaF.sub.2 is selected to have a nitrogen surface area in a selected range and is employed in an amount providing a calcium fluoride/uranium weight ratio in a selected range. As applied to dilute HF solutions containing 120 ppm uranium, the method removes at least 92% of the uranium, without introducing contaminants to the product solution.

  20. The two gap transitions in Ge1 -xSnx : Effect of non-substitutional complex defects

    NASA Astrophysics Data System (ADS)

    Querales-Flores, J. D.; Ventura, C. I.; Fuhr, J. D.; Barrio, R. A.

    2016-09-01

    The existence of non-substitutional β-Sn defects in Ge1 -xSnx alloys was confirmed by emission channeling experiments [Decoster et al., Phys. Rev. B 81, 155204 (2010)], which established that, although most Sn enters substitutionally (α-Sn) in the Ge lattice, a second significant fraction corresponds to the Sn-vacancy defect complex in the split-vacancy configuration (β-Sn), in agreement with our previous theoretical study [Ventura et al., Phys. Rev. B 79, 155202 (2009)]. Here, we present the electronic structure calculations for Ge1 -xSnx , including the substitutional α-Sn as well as the non-substitutional β-Sn defects. To include the presence of the non-substitutional complex defects in the electronic structure calculation for this multi-orbital alloy problem, we extended the approach for the purely substitutional alloy by Jenkins and Dow [Phys. Rev. B 36, 7994 (1987)]. We employed an effective substitutional two-site cluster equivalent to the real non-substitutional β-Sn defect, which was determined by a Green's functions calculation. We then calculated the electronic structure of the effective alloy purely in terms of substitutional defects, embedding the effective substitutional clusters in the lattice. Our results describe the two transitions of the fundamental gap of Ge1 -xSnx as a function of the total Sn-concentration: namely, from an indirect to a direct gap, first, and the metallization transition at a higher x. They also highlight the role of β-Sn in the reduction of the concentration range, which corresponds to the direct-gap phase of this alloy of interest for the optoelectronics applications.

  1. Low Temperature Silicon Surface Cleaning by HF Etching/Ultraviolet Ozone Cleaning (HF/UVOC) Method (I)—Optimization of the HF Treatment—

    NASA Astrophysics Data System (ADS)

    Suemitsu, Maki; Kaneko, Tetsuya; Miyamoto, Nobuo

    1989-12-01

    Several variations of fluoric acid (HF) treatments of silicon substrates were examined for their adaptability as a pretreatment method for a silicon epitaxy process. Treatments with and without distilled, deionized (DI) water rinse, of different HF concentrations, and of different methods of HF supply were tested and their residual carbonic impurity contents were measured using RHEED. As a result, HF treatments by themselves were found to be insufficient in passivating the surface dangling bonds irrespective of the method of HF supply: dipping into the solution or exposure to the vapor. The optimum procedure of HF treatment thus proposed is a succession of (a) HF dipping, (b) DI-water rinsing, (c) nitrogen-gas blowing, and (d) UV-ozone cleaning.

  2. Comprehensive study and design of scaled metal/high-k/Ge gate stacks with ultrathin aluminum oxide interlayers

    NASA Astrophysics Data System (ADS)

    Asahara, Ryohei; Hideshima, Iori; Oka, Hiroshi; Minoura, Yuya; Ogawa, Shingo; Yoshigoe, Akitaka; Teraoka, Yuden; Hosoi, Takuji; Shimura, Takayoshi; Watanabe, Heiji

    2015-06-01

    Advanced metal/high-k/Ge gate stacks with a sub-nm equivalent oxide thickness (EOT) and improved interface properties were demonstrated by controlling interface reactions using ultrathin aluminum oxide (AlOx) interlayers. A step-by-step in situ procedure by deposition of AlOx and hafnium oxide (HfOx) layers on Ge and subsequent plasma oxidation was conducted to fabricate Pt/HfO2/AlOx/GeOx/Ge stacked structures. Comprehensive study by means of physical and electrical characterizations revealed distinct impacts of AlOx interlayers, plasma oxidation, and metal electrodes serving as capping layers on EOT scaling, improved interface quality, and thermal stability of the stacks. Aggressive EOT scaling down to 0.56 nm and very low interface state density of 2.4 × 1011 cm-2eV-1 with a sub-nm EOT and sufficient thermal stability were achieved by systematic process optimization.

  3. SEMICONDUCTOR TECHNOLOGY: Wet etching characteristics of a HfSiON high-k dielectric in HF-based solutions

    NASA Astrophysics Data System (ADS)

    Yongliang, Li; Qiuxia, Xu

    2010-03-01

    The wet etching properties of a HfSiON high-k dielectric in HF-based solutions are investigated. HF-based solutions are the most promising wet chemistries for the removal of HfSiON, and etch selectivity of HF-based solutions can be improved by the addition of an acid and/or an alcohol to the HF solution. Due to densification during annealing, the etch rate of HfSiON annealed at 900 °C for 30 s is significantly reduced compared with as-deposited HfSiON in HF-based solutions. After the HfSiON film has been completely removed by HF-based solutions, it is not possible to etch the interfacial layer and the etched surface does not have a hydrophobic nature, since N diffuses to the interface layer or Si substrate formation of Si-N bonds that dissolves very slowly in HF-based solutions. Existing Si-N bonds at the interface between the new high-k dielectric deposit and the Si substrate may degrade the carrier mobility due to Coulomb scattering. In addition, we show that N2 plasma treatment before wet etching is not very effective in increasing the wet etch rate for a thin HfSiON film in our case.

  4. Origin of Excess 176Hf in Meteorites

    NASA Astrophysics Data System (ADS)

    Thrane, Kristine; Connelly, James N.; Bizzarro, Martin; Meyer, Bradley S.; The, Lih-Sin

    2010-07-01

    After considerable controversy regarding the 176Lu decay constant (λ176Lu), there is now widespread agreement that (1.867 ± 0.008) × 10-11 yr-1 as confirmed by various terrestrial objects and a 4557 Myr meteorite is correct. This leaves the 176Hf excesses that are correlated with Lu/Hf elemental ratios in meteorites older than ~4.56 Ga meteorites unresolved. We attribute 176Hf excess in older meteorites to an accelerated decay of 176Lu caused by excitation of the long-lived 176Lu ground state to a short-lived 176m Lu isomer. The energy needed to cause this transition is ascribed to a post-crystallization spray of cosmic rays accelerated by nearby supernova(e) that occurred after 4564.5 Ma. The majority of these cosmic rays are estimated to penetrate accreted material down to 10-20 m, whereas a small fraction penetrate as deep as 100-200 m, predicting decreased excesses of 176Hf with depth of burial at the time of the irradiation event.

  5. Characteristics of HfO2/Hf-based bipolar resistive memories

    NASA Astrophysics Data System (ADS)

    Jinshun, Bi; Zhengsheng, Han

    2015-06-01

    Nano-scale Hf/HfO2-based resistive random-access-memory (RRAM) devices were fabricated. The cross-over between top and bottom electrodes of RRAM forms the metal-insulator-metal sandwich structure. The electrical responses of RRAM are studied in detail, including forming process, SET process and RESET process. The correlations between SET voltage and RESET voltage, high resistance state and low resistance state are discussed. The electrical characteristics of RRAM are in a strong relationship with the compliance current in the SET process. The conduction mechanism of nano-scale Hf/HfO2-based RRAM can be explained by the quantum point contact model. Project supported by the National Natural Science Foundation of China (Nos. 11179003, 61176095).

  6. Simultaneous observation of HF-enhanced plasma waves and HF-wave self-focusing

    SciTech Connect

    Frey, A.; Duncan, L.M.

    1984-07-01

    Intense HF-radiowaves of the ordinary mode transmitted from the ground enhance plasma waves near the reflection height. These have been extensively studied in the past by the use of Incohernt-Scatter-Radars. Intense HF-radiowaves propagating in the ionosphere also produce electron density irregularities with scale sizes much larger than the HF wavelength of approx.60 m. These have been observed by radio star intensity scintillations. For the past 2 years a new method was used at Arecibo, P.R. which allows radar- and scintillation-measurements at 430 MHz to be performed simultaneously along the same line of sight. The scale sizes deduced from the scintillation measurements are shorter than the scale sizes observed with the radar and are inconsistent with the HF-power density thresholds predicted by existing theories.

  7. The low-temperature form of calcium gold stannide, CaAuSn

    SciTech Connect

    Lin, Qisheng; Corbett, John D

    2014-07-19

    The EuAuGe-type CaAuSn phase has been synthesized and single-crystal X-ray diffraction analysis reveals that it has an ortho­rhom­bic symmetry (space group Imm2), with a = 4.5261 (7) Å, b = 7.1356 (11) Å and c = 7.8147 (11) Å. The structure features puckered layers that are connected by homoatomic Au-Au and Sn-Sn inter­layer bonds. This structure is one of the two parent structures of its high-temperature polymorph (ca 873 K), which is an inter­growth structure of the EuAuGe- and SrMgSi-type structures in a 2:3 ratio.

  8. Observation of room temperature ferromagnetic behavior in cluster-free, Co doped HfO2 films

    NASA Astrophysics Data System (ADS)

    Chang, Y. H.; Soo, Y. L.; Lee, W. C.; Huang, M. L.; Lee, Y. J.; Weng, S. C.; Sun, W. H.; Hong, M.; Kwo, J.; Lee, S. F.; Ablett, J. M.; Kao, C.-C.

    2007-08-01

    Extensive structural and magnetic analyses of Hf1-xCoxO2 thin films grown by molecular beam epitaxy are reported. Nearly cobalt cluster-free film with x =0.04-0.1 was obtained via 100°C growth, and Co ions are inferred to be located at interstitial site. Ferromagnetic behavior was observed up to 300K in both magnetization curves and temperature dependence of the moment. Via post-oxygen-annealing studies, a qualitative correlation between saturation magnetization and oxygen vacancy concentration is established, consistent with the impurity-band exchange model, and that the occurrence of ferromagnetic insulator behavior in the Co doped HfO2 is more probable than Co doped ZnO, TiO2, and SnO2 systems for doping concentrations under cation percolation threshold.

  9. Phase equilibria, formation, crystal and electronic structure of ternary compounds in Ti-Ni-Sn and Ti-Ni-Sb ternary systems

    SciTech Connect

    Romaka, V.V.; Rogl, P.; Romaka, L.; Stadnyk, Yu.; Melnychenko, N.; Grytsiv, A.; Falmbigl, M.; Skryabina, N.

    2013-01-15

    The phase equilibria of the Ti-Ni-Sn and Ti-Ni-Sb ternary systems have been studied in the whole concentration range by means of X-ray and EPM analyses at 1073 K and 873 K, respectively. Four ternary intermetallic compounds TiNiSn (MgAgAs-type), TiNi{sub 2-x}Sn (MnCu{sub 2}Al-type), Ti{sub 2}Ni{sub 2}Sn (U{sub 2}Pt{sub 2}Sn-type), and Ti{sub 5}NiSn{sub 3} (Hf{sub 5}CuSn{sub 3}-type) are formed in Ti-Ni-Sn system at 1073 K. The TiNi{sub 2}Sn stannide is characterized by homogeneity in the range of 50-47 at% of Ni. The Ti-Ni-Sb ternary system at 873 K is characterized by formation of three ternary intermetallic compounds, Ti{sub 0.8}NiSb (MgAgAs-type), Ti{sub 5}Ni{sub 0.45}Sb{sub 2.55} (W{sub 5}Si{sub 3}-type), and Ti{sub 5}NiSb{sub 3} (Hf{sub 5}CuSn{sub 3}-type). The solubility of Ni in Ti{sub 0.8}NiSb decreases number of vacancies in Ti site up to Ti{sub 0.91}Ni{sub 1.1}Sb composition. - Graphical abstract: Isothermal section of the Ti-Ni-Sn phase diagram and DOS distribution in hypothetical TiNi{sub 1+x}Sn solid solution. Highlights: Black-Right-Pointing-Pointer Ti-Ni-Sn phase diagram was constructed at 1073 K. Black-Right-Pointing-Pointer Four ternary compounds are formed: TiNiSn, TiNi{sub 2-x}Sn, Ti{sub 2}Ni{sub 2}Sn, and Ti{sub 5}NiSn{sub 3}. Black-Right-Pointing-Pointer Three ternary compounds exist in Ti-Ni-Sb system at 873 K. Black-Right-Pointing-Pointer The TiNi{sub 2}Sb compound is absent.

  10. K = 6+ Isomers in Hf, yb and W Nuclei

    NASA Astrophysics Data System (ADS)

    Rath, Aswini Kumar; Walker, P. M.; Praharaj, C. R.; Xu, F. R.

    Using deformed Hartree-Fock and angular momentum projection (PHF) technique we try to understand the intrinsic structure and the systematics in the life times of K = 6+ isomers in the Hf isotopes (in 172-178Hf nuclei) and N = 104 Yb, Hf and W isotones. The band structure in 172Hf is reasonably well reproduced. The variation in the B(E2;2+ → 0+) values in the Hf isotopes as well as N = 104 isotones are well reproduced. The calculated K-forbidden E2 transition probabilities from the isomer bandheads to the 4+ yrast states qualitatively explain the variation of the lifetimes with N and Z.

  11. Metal-assisted chemical etching of Ge surface and its effect on photovoltaic devices

    NASA Astrophysics Data System (ADS)

    Lee, Seunghyo; Choo, Hyeokseong; Kim, Changheon; Oh, Eunseok; Seo, Dongwan; Lim, Sangwoo

    2016-05-01

    Ge surfaces were etched by means of metal-assisted chemical etching (MaCE). The behavior of the MaCE reaction in diluted H2O2 was compared with that of a conventional etchant of HF/H2O2/H2O mixture (FPM). Herein we first report that a pyramidal structure on Ge (0 0 1) can be prepared by MaCE in dilute H2O2 solution, without the use of HF. Contrastingly, an octagonal trench structure was prepared by 4/5/1 FPM treatment of Ge (0 0 1) surface. This octagonal structure consisted of a square base, four large facets connected to the base, and other four small facets adjacent to the four large facets, which were considered to be (0 0 1), {1 1 0}, and {1 1 1}, respectively. The octagonal trench was formed as a result of the difference in etch rate of Ge depending on the orientation: {1 0 0} > {1 1 0} > {1 1 1}. Ge surfaces treated by MaCE exhibited improved solar cell efficiency due to their improved light absorption, which led to significant increases in the cells' short circuit current and fill factor. The results suggest that optimized MaCE procedures can be an effective method to improve the performance of Ge-based photovoltaic devices.

  12. Plasma-assisted low energy N2 implant for Vfb tuning of Ge gate stacks

    NASA Astrophysics Data System (ADS)

    Kothari, Shraddha; Joishi, Chandan; Nejad, Hasan; Variam, Naushad; Lodha, Saurabh

    2016-08-01

    This work reports Vfb tuning of TiN/HfO2 gate stacks on Ge using low energy plasma-assisted doping with N2 without significant impact on gate capacitance and gate/channel interface trap densities. As required for multi-VT Ge p-FinFETs, controlled change in effective work function up to 180 mV from the near midgap to the near valence band edge of Ge is demonstrated by varying implant dose and energy. Unlike Si gate stacks, increased gate leakage in implanted Ge gate stacks is shown to result from traps created in the HfO2 layer during the implant and exposed to channel carriers due to a low band offset GeO2 interfacial layer (IL). Recovery of gate leakage is demonstrated by substituting GeO2 with an Al2O3 IL. Further, a simple physical model is proposed to extract the work function and oxide charge components of the change in Vfb for varying implant doses and energies.

  13. Measurement of the thermodynamic properties of saturated solid solutions of compounds in the Ag-Sn-Se system by the EMF method

    NASA Astrophysics Data System (ADS)

    Moroz, M. V.; Prokhorenko, M. V.

    2015-08-01

    The dependence of the EMF ( E) of galvanic cells Ag|AgI|Ag2GeS3 glass| D on temperature (where Ag, D denotes the electrodes of an electrochemical cell; D represents equilibrium two- and three-phase alloys of the Ag-Sn-Se system; and AgI|Ag2GeS3 glass is a bilayer membrane with purely ionic (Ag+) conductivity) is studied in the range of 480-580 K. Analytical equations of E( T) are used to calculate the values of the thermodynamic functions of saturated solid solutions of the SnSe, β-Ag2Se, AgSnSe2, and Ag8SnSe6 phases of the Ag-Sn-Se system in the standard state.

  14. Atomic layer etching of Al2O3 using sequential, self-limiting thermal reactions with Sn(acac)2 and hydrogen fluoride.

    PubMed

    Lee, Younghee; George, Steven M

    2015-02-24

    The atomic layer etching (ALE) of Al2O3 was demonstrated using sequential, self-limiting thermal reactions with tin(II) acetylacetonate (Sn(acac)2) and hydrogen fluoride (HF) as the reactants. The Al2O3 samples were Al2O3 atomic layer deposition (ALD) films grown using trimethylaluminum and H2O. The HF source was HF-pyridine. Al2O3 was etched linearly with atomic level precision versus number of reactant cycles. The Al2O3 ALE was monitored at temperatures from 150 to 250 °C. Quartz crystal microbalance (QCM) studies revealed that the sequential Sn(acac)2 and HF reactions were self-limiting versus reactant exposure. QCM measurements also determined that the mass change per cycle (MCPC) increased with temperature from -4.1 ng/(cm(2) cycle) at 150 °C to -18.3 ng/(cm(2) cycle) at 250 °C. These MCPC values correspond to etch rates from 0.14 Å/cycle at 150 °C to 0.61 Å/cycle at 250 °C based on the Al2O3 ALD film density of 3.0 g/cm(3). X-ray reflectivity (XRR) analysis confirmed the linear removal of Al2O3 and measured an Al2O3 ALE etch rate of 0.27 Å/cycle at 200 °C. The XRR measurements also indicated that the Al2O3 films were smoothed by Al2O3 ALE. The overall etching reaction is believed to follow the reaction Al2O3 + 6Sn(acac)2 + 6HF → 2Al(acac)3 + 6SnF(acac) + 3H2O. In the proposed reaction mechanism, the Sn(acac)2 reactant donates acac to the substrate to produce Al(acac)3. The HF reactant allows SnF(acac) and H2O to leave as reaction products. The thermal ALE of many other metal oxides using Sn(acac)2 or other metal β-diketonates, together with HF, should be possible by a similar mechanism. This thermal ALE mechanism may also be applicable to other materials such as metal nitrides, metal phosphides, metal sulfides and metal arsenides.

  15. Atomic layer etching of Al2O3 using sequential, self-limiting thermal reactions with Sn(acac)2 and hydrogen fluoride.

    PubMed

    Lee, Younghee; George, Steven M

    2015-02-24

    The atomic layer etching (ALE) of Al2O3 was demonstrated using sequential, self-limiting thermal reactions with tin(II) acetylacetonate (Sn(acac)2) and hydrogen fluoride (HF) as the reactants. The Al2O3 samples were Al2O3 atomic layer deposition (ALD) films grown using trimethylaluminum and H2O. The HF source was HF-pyridine. Al2O3 was etched linearly with atomic level precision versus number of reactant cycles. The Al2O3 ALE was monitored at temperatures from 150 to 250 °C. Quartz crystal microbalance (QCM) studies revealed that the sequential Sn(acac)2 and HF reactions were self-limiting versus reactant exposure. QCM measurements also determined that the mass change per cycle (MCPC) increased with temperature from -4.1 ng/(cm(2) cycle) at 150 °C to -18.3 ng/(cm(2) cycle) at 250 °C. These MCPC values correspond to etch rates from 0.14 Å/cycle at 150 °C to 0.61 Å/cycle at 250 °C based on the Al2O3 ALD film density of 3.0 g/cm(3). X-ray reflectivity (XRR) analysis confirmed the linear removal of Al2O3 and measured an Al2O3 ALE etch rate of 0.27 Å/cycle at 200 °C. The XRR measurements also indicated that the Al2O3 films were smoothed by Al2O3 ALE. The overall etching reaction is believed to follow the reaction Al2O3 + 6Sn(acac)2 + 6HF → 2Al(acac)3 + 6SnF(acac) + 3H2O. In the proposed reaction mechanism, the Sn(acac)2 reactant donates acac to the substrate to produce Al(acac)3. The HF reactant allows SnF(acac) and H2O to leave as reaction products. The thermal ALE of many other metal oxides using Sn(acac)2 or other metal β-diketonates, together with HF, should be possible by a similar mechanism. This thermal ALE mechanism may also be applicable to other materials such as metal nitrides, metal phosphides, metal sulfides and metal arsenides. PMID:25604976

  16. Soft X-ray photoemission studies of Hf oxidation

    SciTech Connect

    Suzer, S.; Sayan, S.; Banaszak Holl, M.M.; Garfunkel, E.; Hussain, Z.; Hamdan, N.M.

    2002-02-01

    Soft X-Ray Photoemission Spectroscopy using surface sensitive Synchrotron Radiation has been applied to accurately determine the binding energy shifts and the valence band offset of the HfO2 grown on Hf metal. Charging of oxide films under x-rays (or other irradiation) is circumvented by controlled and sequential in-situ oxidation. Photoemission results show the presence of metallic Hf (from the substrate) with the 4f7/2 binding energy of 14.22 eV, fully oxidized Hf (from HfO2) with the 4f7/2 binding energy of 18.16 eV, and at least one clear suboxide peak. The position of the valence band of HfO2 with respect to the Hf(m) Fermi level is determined as 4.05 eV.

  17. Site Dependency of the High Conductivity of Ga 2 In 6 Sn 2 O 16 : The Role of the 7-Coordinate Site

    DOE PAGES

    Rickert, Karl; Huq, Ashfia; Lapidus, Saul H.; Wustrow, Allison; Ellis, Donald E.; Poeppelmeier, Kenneth R.

    2015-11-11

    In 6-coordinated cation sites, we find that it is the fundamental building block of the most effective transparent conducting oxides. Ga2In6SnO16, however, maintains 4-, 6-, 7-, and 8-coordinated cation sites and still exhibits desirable transparency and high conductivity. To investigate the potential impact of these alternative sites, we partially replace the Sn in Ga2In6Sn2O16 with Ti, Zr, or Hf and use a combined approach of density functional theory-based calculations, X-ray diffraction, and neutron diffraction to establish that the substitution occurs preferentially on the 7-coordinate site. Conversely to Sn, the empty d orbitals of Ti, Zr, and Hf promote spd covalencymore » with the surrounding oxygen, which decreases the conductivity. Pairing the substitutional site preference with the magnitude of this decrease demonstrates that the 7-coordinate site is the V major contributor to conductivity. The optical band gaps, in contrast, are shown to be site-independent and composition-dependent. After all 7-coordinate Sn has been replaced, the continued substitution of Sn results in the formation of a 7-coordinate In antisite or replacement of 6-coordinate Sn, depending on the identity of the d(0) substitute.« less

  18. The WISP/HF system for Spacelab

    NASA Technical Reports Server (NTRS)

    James, H. G.

    1980-01-01

    The high frequency part of the waves in space plasmas system, WISP/HF, is a flexible shuttle Spacelab instrument for transmitting, receiving, and processing signals in the 0.3 to 30 MHz range. It permits a wide range of plasma wave experiments in the ionosphere including studies of the transmitting antenna, fundamentals of electromagnetic (EM) and electrostatic (ES) waves in magnetoplasmas, instabilities and nonlinearities, and remote sounding of ionospheric structure. Collaborative investigations involving other WISP equipment (e.g., antenna and propagation studies with the WISP/VLF system) or other Spacelab facilities (e.g., beam plasma interactions using charged particle guns) are envisaged. A few specific examples illustrate the relevance of WISP/HF to current scientific interest. The overall goal is to help build a comprehensive understanding of plasmaspheric wave physics through group studies.

  19. Dynamics of the F(-) + CH3I → HF + CH2I(-) Proton Transfer Reaction.

    PubMed

    Zhang, Jiaxu; Xie, Jing; Hase, William L

    2015-12-17

    Direct chemical dynamics simulations, at collision energies Erel of 0.32 and 1.53 eV, were performed to obtain an atomistic understanding of the F(-) + CH3I reaction dynamics. There is only the F(-) + CH3I → CH3F + I(-) bimolecular nucleophilic substitution SN2 product channel at 0.32 eV. Increasing Erel to 1.53 eV opens the endothermic F(-) + CH3I → HF + CH2I(-) proton transfer reaction, which is less competitive than the SN2 reaction. The simulations reveal proton transfer occurs by two direct atomic-level mechanisms, rebound and stripping, and indirect mechanisms, involving formation of the F(-)···HCH2I complex and the roundabout. For the indirect trajectories all of the CH2I(-) is formed with zero-point energy (ZPE), while for the direct trajectories 50% form CH2I(-) without ZPE. Without a ZPE constraint for CH2I(-), the reaction cross sections for the rebound, stripping, and indirect mechanisms are 0.2 ± 0.1, 1.2 ± 0.4, and 0.7 ± 0.2 Å(2), respectively. Discarding trajectories that do not form CH2I(-) with ZPE reduces the rebound and stripping cross sections to 0.1 ± 0.1 and 0.7 ± 0.5 Å(2). The HF product is formed rotationally and vibrationally unexcited. The average value of J is 2.6 and with histogram binning n = 0. CH2I(-) is formed rotationally excited. The partitioning between CH2I(-) vibration and HF + CH2I(-) relative translation energy depends on the treatment of CH2I(-) ZPE. Without a CH2I(-) ZPE constraint the energy partitioning is primarily to relative translation with little CH2I(-) vibration. With a ZPE constraint, energy partitioning to CH2I(-) rotation, CH2I(-) vibration, and relative translation are statistically the same. The overall F(-) + CH3I rate constant at Erel of both 0.32 and 1.53 eV is in good agreement with experiment and negligibly affected by the treatment of CH2I(-) ZPE, since the SN2 reaction is the major contributor to the total reaction rate constant. The potential energy surface and reaction dynamics for F

  20. Dynamics of the F(-) + CH3I → HF + CH2I(-) Proton Transfer Reaction.

    PubMed

    Zhang, Jiaxu; Xie, Jing; Hase, William L

    2015-12-17

    Direct chemical dynamics simulations, at collision energies Erel of 0.32 and 1.53 eV, were performed to obtain an atomistic understanding of the F(-) + CH3I reaction dynamics. There is only the F(-) + CH3I → CH3F + I(-) bimolecular nucleophilic substitution SN2 product channel at 0.32 eV. Increasing Erel to 1.53 eV opens the endothermic F(-) + CH3I → HF + CH2I(-) proton transfer reaction, which is less competitive than the SN2 reaction. The simulations reveal proton transfer occurs by two direct atomic-level mechanisms, rebound and stripping, and indirect mechanisms, involving formation of the F(-)···HCH2I complex and the roundabout. For the indirect trajectories all of the CH2I(-) is formed with zero-point energy (ZPE), while for the direct trajectories 50% form CH2I(-) without ZPE. Without a ZPE constraint for CH2I(-), the reaction cross sections for the rebound, stripping, and indirect mechanisms are 0.2 ± 0.1, 1.2 ± 0.4, and 0.7 ± 0.2 Å(2), respectively. Discarding trajectories that do not form CH2I(-) with ZPE reduces the rebound and stripping cross sections to 0.1 ± 0.1 and 0.7 ± 0.5 Å(2). The HF product is formed rotationally and vibrationally unexcited. The average value of J is 2.6 and with histogram binning n = 0. CH2I(-) is formed rotationally excited. The partitioning between CH2I(-) vibration and HF + CH2I(-) relative translation energy depends on the treatment of CH2I(-) ZPE. Without a CH2I(-) ZPE constraint the energy partitioning is primarily to relative translation with little CH2I(-) vibration. With a ZPE constraint, energy partitioning to CH2I(-) rotation, CH2I(-) vibration, and relative translation are statistically the same. The overall F(-) + CH3I rate constant at Erel of both 0.32 and 1.53 eV is in good agreement with experiment and negligibly affected by the treatment of CH2I(-) ZPE, since the SN2 reaction is the major contributor to the total reaction rate constant. The potential energy surface and reaction dynamics for F

  1. Studies of dispersion energy in hydrogen-bonded systems. H2O-HOH, H2O-HF, H3N-HF, HF-HF

    NASA Astrophysics Data System (ADS)

    Szcześniak, M. M.; Scheiner, Steve

    1984-02-01

    Dispersion energy is calculated in the systems H2O-HOH, H2O-HF, H3N-HF, and HF-HF as a function of the intermolecular separation using a variety of methods. M≂ller-Plesset perturbation theory to second and third orders is applied in conjunction with polarized basis sets of 6-311G** type and with an extended basis set including a second set of polarization functions (DZ+2P). These results are compared to a multipole expansion of the dispersion energy, based on the Unsöld approximation, carried out to the inverse tenth power of the intermolecular distance. Pairwise evaluation is also carried out using both atom-atom and bond-bond formulations. The MP3/6-311G** results are in generally excellent accord with the leading R-6 term of the multipole expansion. This expansion, if carried out to the R-10 term, reproduces extremely well previously reported dispersion energies calculated via variation-perturbation theory. Little damping of the expansion is required for intermolecular distances equal to or greater than the equilibrium separation. Although the asymptotic behavior of the MP2 dispersion energy is somewhat different than that of the other methods, augmentation of the basis set by a second diffuse set of d functions leads to quite good agreement in the vicinity of the minima. Both the atom-atom and bond-bond parametrization schemes are in good qualitative agreement with the other methods tested. All approaches produce similar dependence of the dispersion energy upon the angular orientation between the two molecules involved in the H bond.

  2. Heat capacity of the frustrated magnetic pyrochlores Gd2Zr2O7 and Gd2Hf2O7

    NASA Astrophysics Data System (ADS)

    Durand, Alice M.; Klavins, Peter; Corruccini, L. R.

    2008-06-01

    The heat capacities of Gd2Zr2O7 and Gd2Hf2O7 both show sharp peaks in the vicinity of 0.77 K, consistent with the existence of long range magnetic order. They are superimposed in both cases on broader maxima centered at approximately 1 K, presumably due to short range spin correlations. Both compounds exhibit antiferromagnetic interactions, with Weiss constants of approximately -7 K. Comparisons are made to earlier results for the isomorphic compounds Gd2Ti2O7 and Gd2Sn2O7.

  3. SERVE-HF: More Questions Than Answers.

    PubMed

    Javaheri, Shahrokh; Brown, Lee K; Randerath, Winfried; Khayat, Rami

    2016-04-01

    The recent online publication of the SERVE-HF trial that evaluated the effect of treating central sleep apnea (CSA) with an adaptive servoventilation (ASV) device in patients with heart failure and reduced ejection fraction (HFrEF) has raised serious concerns about the safety of ASV in these patients. Not only was ASV ineffective but post hoc analysis found excess cardiovascular mortality in treated patients. The authors cited as one explanation an unfounded notion that CSA is a compensatory mechanism with a protective effect in HFrEF patients. We believe that there are several possible considerations that are more likely to explain the results of SERVE-HF. In this commentary, we consider methodological issues including the use of a previous-generation ASV device that constrained therapeutic settings to choices that are no longer in wide clinical use. Patient selection, data collection, and treatment adherence as well as group crossovers were not discussed in the trial as potential confounding factors. We have developed alternative reasons that could potentially explain the results and that can be explored by post hoc analysis of the SERVE-HF data. We believe that our analysis is of critical value to the field and of particular importance to clinicians treating these patients. PMID:26836904

  4. Stellar Laboratories: New GeV and Ge VI Oscillator Strengths and their Validation in the Hot White Dwarf RE0503-289

    NASA Technical Reports Server (NTRS)

    Rauch, T.; Werner, K.; Biemont, E.; Quinet, P.; Kruk, J. W.

    2013-01-01

    State-of-the-art spectral analysis of hot stars by means of non-LTE model-atmosphere techniques has arrived at a high level of sophistication. The analysis of high-resolution and high-S/N spectra, however, is strongly restricted by the lack of reliable atomic data for highly ionized species from intermediate-mass metals to trans-iron elements. Especially data for the latter has only been sparsely calculated. Many of their lines are identified in spectra of extremely hot, hydrogen-deficient post-AGB stars. A reliable determination of their abundances establishes crucial constraints for AGB nucleosynthesis simulations and, thus, for stellar evolutionary theory. Aims. In a previous analysis of the UV spectrum of RE 0503-289, spectral lines of highly ionized Ga, Ge, As, Se, Kr, Mo, Sn, Te, I, and Xe were identified. Individual abundance determinations are hampered by the lack of reliable oscillator strengths. Most of these identified lines stem from Ge V. In addition, we identified Ge VI lines for the first time. We calculated Ge V and Ge VI oscillator strengths in order to reproduce the observed spectrum. Methods. We newly calculated Ge V and Ge VI oscillator strengths to consider their radiative and collisional bound-bound transitions in detail in our non-LTE stellar-atmosphere models for the analysis of the Ge IV-VI spectrum exhibited in high-resolution and high-S/N FUV (FUSE) and UV (ORFEUS/BEFS, IUE) observations of RE 0503-289. Results. In the UV spectrum of RE 0503-289, we identify four Ge IV, 37 Ge V, and seven Ge VI lines. Most of these lines are identified for the first time in any star. We can reproduce almost all Ge IV, GeV, and Ge VI lines in the observed spectrum of RE 0503-289 (T(sub eff) = 70 kK, log g = 7.5) at log Ge = -3.8 +/- 0.3 (mass fraction, about 650 times solar). The Ge IV/V/VI ionization equilibrium, that is a very sensitive T(sub eff) indicator, is reproduced well. Conclusions. Reliable measurements and calculations of atomic data are a

  5. Room temperature formation of Hf-silicate layer by pulsed laser deposition with Hf-Si-O ternary reaction control

    NASA Astrophysics Data System (ADS)

    Hotta, Yasushi; Ueoka, Satoshi; Yoshida, Haruhiko; Arafune, Koji; Ogura, Atsushi; Satoh, Shin-ichi

    2016-10-01

    We investigated the room temperature growth of HfO2 layers on Si substrates by pulsed laser deposition under ultra-high vacuum conditions. The laser fluence (LF) during HfO2 layer growth was varied as a growth parameter in the experiments. X-ray photoemission spectroscopy (XPS) was used to observe the interface chemical states of the HfO2/Si samples produced by various LFs. The XPS results indicated that an interface Hf-silicate layer formed, even at room temperature, and that the thickness of this layer increased with increasing pulsed LF. Additionally, Hf-Si bonds were increasingly formed at the interface when the LF was more than 2 J/cm2. This bond formation process was related to decomposition of HfO2 to its atomic states of Hf and O by multiphoton photochemical processes for bandgap excitation of the HfO2 polycrystalline target. However, the Hf-Si bond content of the interface Hf-silicate layer is controllable under high LF conditions. The results presented here represent a practical contribution to the development of room temperature processing of Hf-compound based devices.

  6. Pirquitasite, Ag2ZnSnS4

    PubMed Central

    Schumer, Benjamin N.; Downs, Robert T.; Domanik, Kenneth J.; Andrade, Marcelo B; Origlieri, Marcus J.

    2013-01-01

    Pirquitasite, ideally Ag2ZnSnS4 (disilver zinc tin tetra­sulfide), exhibits tetra­gonal symmetry and is a member of the stannite group that has the general formula A2BCX 4, with A = Ag, Cu; B = Zn, Cd, Fe, Cu, Hg; C = Sn, Ge, Sb, As; and X = S, Se. In this study, single-crystal X-ray diffraction data are used to determine the structure of pirquitasite from a twinned crystal from the type locality, the Pirquitas deposit, Jujuy Province, Argentina, with anisotropic displacement parameters for all atoms, and a measured composition of (Ag1.87Cu0.13)(Zn0.61Fe0.36Cd0.03)SnS4. One Ag atom is located on Wyckoff site Wyckoff 2a (symmetry -4..), the other Ag atom is statistically disordered with minor amounts of Cu and is located on 2c (-4..), the (Zn, Fe, Cd) site on 2d (-4..), Sn on 2b (-4..), and S on general site 8g. This is the first determination of the crystal structure of pirquitasite, and our data indicate that the space group of pirquitasite is I-4, rather than I-42m as previously suggested. The structure was refined under consideration of twinning by inversion [twin ratio of the components 0.91 (6):0.09 (6)]. PMID:23424398

  7. Standardization of Sn-113.

    PubMed

    Roteta, Miguel; Peyres, Virginia; García-Toraño, Eduardo

    2014-05-01

    The radionuclide (113)Sn is a quasi-monoenergetic gamma emitter often used in the efficiency calibration of gamma spectrometers in the energy region around 390keV. This paper presents the results of the standardization of this radionuclide by three methods: integral (4π-γ) counting with a well-type NaI(Tl) detector, liquid scintillation counting applying the CIEMAT-NIST method and 4π coincidence counting (conversion electron-X) with a digital coincidence system. PMID:24365465

  8. LU-HF Age and Isotope Systematics of ALH84001

    NASA Technical Reports Server (NTRS)

    Righter, M.; Lapen, T. J.; Brandon, A. D.; Beard, B. L.; Shafer, J. T.; Peslier, A. H.

    2009-01-01

    Allan Hills (ALH) 84001 is an orthopyroxenite that is unique among the Martian meteorites in having the oldest inferred crystallization age (approx..4.5 to 4.0 Gyr) [e.g., 1-6 and references therein 7]. Its ancient origin makes this stone a critical constraint on early history of Mars, in particular the evolution of different planetary crust and mantle reservoirs. However, because there is significant variability in reported crystallization ages, determination of initial isotope compositions is imprecise making assessment of planetary reservoirs difficult. Here we report a new Lu-Hf mineral isochron age, initial Hf-176/Hf-177 isotope composition, and inferred Martian mantle source compositions for ALH84001 that place constraints on longlived source reservoirs for the enriched shergottite suite of Martian meteorites including Shergotty, Zagami, NWA4468, NWA856, RBT04262, LAR06319, and Los Angeles. Sm-Nd isotope analyses are under way for the same mineral aliquots analyzed for Lu-Hf. The Lu-Hf system was utilized because Lu and Hf are both lithophile and refractory and are not easily redistributed during short-lived thermal pulses associated with shock metamorphism. Moreover, chromite has relatively modest Hf concentrations with very low Lu/Hf ratios [9] yielding tight constraints on initial Hf-176/Hf-177 isotope compositions

  9. Thermoelectric properties of semimetallic (Zr, Hf)CoSb half-Heusler phases

    NASA Astrophysics Data System (ADS)

    Xia, Y.; Bhattacharya, S.; Ponnambalam, V.; Pope, A. L.; Poon, S. J.; Tritt, T. M.

    2000-08-01

    Unlike semiconducting TiCoSb, ZrCoSb and HfCoSb half-Heusler phases are semimetallic below room temperature and exhibit small Seebeck coefficients of ˜-10 μV/K at 300 K. However, upon substituting (doping) the Co and Sb sites with Pt and Sn, respectively, much larger thermopowers (S) are obtained. For ZrCoSb, S reaches -110 and +130 μV/K while resistivity ρ decreases from ˜5×104 μΩ cm in the undoped phase to 1-2×103 μΩ cm in the substituted phases at 300 K. The lowest thermal conductivity obtained in the substituted alloys is ˜3.0 W/m K at 300 K, which is among the lowest reported for this class of structural phases. There are indications that the thermoelectric properties have not been optimized in these multinary alloys.

  10. Compositional dependence of the band-gap of Ge1-x-ySixSny alloys

    NASA Astrophysics Data System (ADS)

    Wendav, Torsten; Fischer, Inga A.; Montanari, Michele; Zoellner, Marvin Hartwig; Klesse, Wolfgang; Capellini, Giovanni; von den Driesch, Nils; Oehme, Michael; Buca, Dan; Busch, Kurt; Schulze, Jörg

    2016-06-01

    The group-IV semiconductor alloy Ge1-x-ySixSny has recently attracted great interest due to its prospective potential for use in optoelectronics, electronics, and photovoltaics. Here, we investigate molecular beam epitaxy grown Ge1-x-ySixSny alloys lattice-matched to Ge with large Si and Sn concentrations of up to 42% and 10%, respectively. The samples were characterized in detail by Rutherford backscattering/channeling spectroscopy for composition and crystal quality, x-ray diffraction for strain determination, and photoluminescence spectroscopy for the assessment of band-gap energies. Moreover, the experimentally extracted material parameters were used to determine the SiSn bowing and to make predictions about the optical transition energy.

  11. Band gap engineering of Si-Ge alloys for mid-temperature thermoelectric applications

    SciTech Connect

    Pulikkotil, J. J.; Auluck, S.

    2015-03-15

    The viability of Si-Ge alloys in thermoelectric applications lies in its high figure-of-merit, non-toxicity and earth-abundance. However, what restricts its wider acceptance is its operation temperature (above 1000 K) which is primarily due to its electronic band gap. By means of density functional theory calculations, we propose that iso-electronic Sn substitutions in Si-Ge can not only lower its operation to mid-temperature range but also deliver a high thermoelectric performance. While calculations find a near invariance in the magnitude of thermopower, empirical models indicate that the materials thermal conductivity would also reduce, thereby substantiating that Si-Ge-Sn alloys are promising mid-temperature thermoelectrics.

  12. Comparative analysis of cross sections of residual nuclei on separated tin isotopes at a beam energy of protons and deuterons 3.65 GeV/nucleon

    SciTech Connect

    Balabekyan, A. R.; Demekhina, N. A.; Simonyan, A. E.

    2013-03-15

    The cross sections of residual nuclei in the separated tin isotopes ({sup 112}Sn, {sup 118}Sn, {sup 120}Sn, and {sup 124}Sn), irradiated with proton and deuteron beams with energy 3.65 GeV/nucleon, are investigated. Parametrization by ten parametric semi-empirical formula was conducted with the aim of determining the total cross sections and analyzing the measurement results. The dependence of total inelastic cross sections on the mass number of the target and the structure of the incoming particle was investigated via the comparison of the obtained data.

  13. Magnetic properties and complex magnetic phase diagram in non-centrosymmetric EuRhGe3 and EuIrGe3 single crystals

    NASA Astrophysics Data System (ADS)

    Maurya, Arvind; Bonville, P.; Kulkarni, R.; Thamizhavel, A.; Dhar, S. K.

    2016-03-01

    We report the magnetic properties of two Eu based compounds, single crystalline EuIrGe3 and EuRhGe3, inferred from magnetisation, electrical transport, heat capacity and 151Eu Mössbauer spectroscopy. These previously known compounds crystallise in the non-centrosymmetric, tetragonal, I4 mm, BaNiSn3-type structure. Single crystals of EuIrGe3 and EuRhGe3 were grown using a high temperature solution growth method using In as flux. EuIrGe3 exhibits two magnetic transition temperatures TN1 = 12.4 K, and TN 2 = 7.3 K, whereas EuRhGe3 presents a single one at TN = 12 K. 151Eu Mössbauer spectra show evidence for a cascade of transitions from paramagnetic to incommensurate amplitude modulated followed by an equal moment phase at lower temperature in EuIrGe3. This latter phase alone occurs in EuRhGe3. In both compounds, the magnetisation measured up to 14 T suggests that the equal moment magnetic phase has a spiral spin arrangement. The field induced reorientations are also well documented in the magnetotransport data. A superzone gap is observed for the current density J ∥ [001], which is enhanced by a transverse magnetic field. The magnetic phase diagram constructed from all the data is complex, revealing the presence of many phases in the H - T space.

  14. Comparison of the synthesis of Ge nanocrystals in hafnium aluminum oxide and silicon oxide matrices.

    PubMed

    Chew, H G; Zheng, F; Choi, W K; Chim, W K; Fitzgerald, E A; Foo, Y L

    2009-02-01

    Growth of germanium (Ge) nanocrystals in silicon (Si) oxide and hafnium aluminum oxide (HfAlO) is examined. In Si oxide, nanocrystals were able to form at annealing temperatures of 800 degrees C to 1000 degrees C. Nanocrystals formed at 800 degrees C were round and approximately 8 nm in diameter, at 900 degrees C they become facetted and at 1000 degrees C they become spherical again. In HfAlO, at 800 degrees C nanocrystals formed are relatively smaller (approximately 3 nm in diameter) and lower in density. While at 900 degrees C and 1000 degrees C, nanocrystals did not form due to out-diffusion of Ge. Different nanocrystal formation characteristics in the matrices are attributed to differences in their crystallization temperatures.

  15. Electronic Structure and Defect Physics of Tin Sulfides: SnS, Sn2S3 , and Sn S2

    NASA Astrophysics Data System (ADS)

    Kumagai, Yu; Burton, Lee A.; Walsh, Aron; Oba, Fumiyasu

    2016-07-01

    The tin sulfides SnS, Sn2S3 , and Sn S2 are investigated for a wide variety of applications such as photovoltaics, thermoelectrics, two-dimensional electronic devices, Li ion battery electrodes, and photocatalysts. For these applications, native point defects play important roles, but only those of SnS have been investigated theoretically in the literature. In this study, we consider the band structures, band-edge positions, and thermodynamical stability of the tin sulfides using a density functional that accounts for van der Waals corrections and the G W0 approximation. We revisit the point-defect properties, namely, electronic and atomic structures and energetics of defects, in SnS and newly examine those in Sn S2 and Sn2S3 with a comparison to those in SnS. We find that Sn S2 shows contrasting defect properties to SnS: Undoped SnS shows p -type behavior, whereas Sn S2 shows n type, which are mainly attributed to the tin vacancies and tin interstitials, respectively. We also find that the defect features in Sn2S3 can be described as a combination of those in SnS and Sn S2 , intrinsically Sn2S3 showing n -type behavior. However, the conversion to p type can be attained by doping with a large monovalent cation, namely, potassium. The ambipolar dopability, coupled with the earth abundance of its constituents, indicates great potential for electronic applications, including photovoltaics.

  16. Materials Data on HfGeTe (SG:129) by Materials Project

    SciTech Connect

    Kristin Persson

    2015-03-24

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  17. Materials Data on Hf3(Cu2Ge)2 (SG:189) by Materials Project

    SciTech Connect

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  18. The demonstration of significant ferroelectricity in epitaxial Y-doped HfO2 film.

    PubMed

    Shimizu, Takao; Katayama, Kiliha; Kiguchi, Takanori; Akama, Akihiro; Konno, Toyohiko J; Sakata, Osami; Funakubo, Hiroshi

    2016-01-01

    Ferroelectricity and Curie temperature are demonstrated for epitaxial Y-doped HfO2 film grown on (110) yttrium oxide-stabilized zirconium oxide (YSZ) single crystal using Sn-doped In2O3 (ITO) as bottom electrodes. The XRD measurements for epitaxial film enabled us to investigate its detailed crystal structure including orientations of the film. The ferroelectricity was confirmed by electric displacement filed - electric filed hysteresis measurement, which revealed saturated polarization of 16 μC/cm(2). Estimated spontaneous polarization based on the obtained saturation polarization and the crystal structure analysis was 45 μC/cm(2). This value is the first experimental estimations of the spontaneous polarization and is in good agreement with the theoretical value from first principle calculation. Curie temperature was also estimated to be about 450 °C. This study strongly suggests that the HfO2-based materials are promising for various ferroelectric applications because of their comparable ferroelectric properties including polarization and Curie temperature to conventional ferroelectric materials together with the reported excellent scalability in thickness and compatibility with practical manufacturing processes. PMID:27608815

  19. The demonstration of significant ferroelectricity in epitaxial Y-doped HfO2 film

    PubMed Central

    Shimizu, Takao; Katayama, Kiliha; Kiguchi, Takanori; Akama, Akihiro; Konno, Toyohiko J.; Sakata, Osami; Funakubo, Hiroshi

    2016-01-01

    Ferroelectricity and Curie temperature are demonstrated for epitaxial Y-doped HfO2 film grown on (110) yttrium oxide-stabilized zirconium oxide (YSZ) single crystal using Sn-doped In2O3 (ITO) as bottom electrodes. The XRD measurements for epitaxial film enabled us to investigate its detailed crystal structure including orientations of the film. The ferroelectricity was confirmed by electric displacement filed – electric filed hysteresis measurement, which revealed saturated polarization of 16 μC/cm2. Estimated spontaneous polarization based on the obtained saturation polarization and the crystal structure analysis was 45 μC/cm2. This value is the first experimental estimations of the spontaneous polarization and is in good agreement with the theoretical value from first principle calculation. Curie temperature was also estimated to be about 450 °C. This study strongly suggests that the HfO2-based materials are promising for various ferroelectric applications because of their comparable ferroelectric properties including polarization and Curie temperature to conventional ferroelectric materials together with the reported excellent scalability in thickness and compatibility with practical manufacturing processes. PMID:27608815

  20. The demonstration of significant ferroelectricity in epitaxial Y-doped HfO2 film

    NASA Astrophysics Data System (ADS)

    Shimizu, Takao; Katayama, Kiliha; Kiguchi, Takanori; Akama, Akihiro; Konno, Toyohiko J.; Sakata, Osami; Funakubo, Hiroshi

    2016-09-01

    Ferroelectricity and Curie temperature are demonstrated for epitaxial Y-doped HfO2 film grown on (110) yttrium oxide-stabilized zirconium oxide (YSZ) single crystal using Sn-doped In2O3 (ITO) as bottom electrodes. The XRD measurements for epitaxial film enabled us to investigate its detailed crystal structure including orientations of the film. The ferroelectricity was confirmed by electric displacement filed – electric filed hysteresis measurement, which revealed saturated polarization of 16 μC/cm2. Estimated spontaneous polarization based on the obtained saturation polarization and the crystal structure analysis was 45 μC/cm2. This value is the first experimental estimations of the spontaneous polarization and is in good agreement with the theoretical value from first principle calculation. Curie temperature was also estimated to be about 450 °C. This study strongly suggests that the HfO2-based materials are promising for various ferroelectric applications because of their comparable ferroelectric properties including polarization and Curie temperature to conventional ferroelectric materials together with the reported excellent scalability in thickness and compatibility with practical manufacturing processes.

  1. Epitaxial Thin Films of Y doped HfO2

    NASA Astrophysics Data System (ADS)

    Serrao, Claudy; Khan, Asif; Ramamoorthy, Ramesh; Salahuddin, Sayeef

    Hafnium oxide (HfO2) is one of a few metal oxides that is thermodynamically stable on silicon and silicon oxide. There has been renewed interest in HfO2 due to the recent discovery of ferroelectricity and antiferroelectricity in doped HfO2. Typical ferroelectrics - such as strontium bismuth tantalate (SBT) and lead zirconium titanate (PZT) - contain elements that easily react with silicon and silicon oxide at elevated temperatures; therefore, such ferroelectrics are not suited for device applications. Meanwhile, ferroelectric HfO2 offers promise regarding integration with silicon. The stable phase of HfO2 at room temperature is monoclinic, but HfO2 can be stabilized in the tetragonal, orthorhombic or even cubic phase by suitable doping. We stabilized Y-doped HfO2 thin films using pulsed laser deposition. The strain state can be controlled using various perovskite substrates and controlled growth conditions. We report on Y-doped HfO2 domain structures from piezo-response force microscopy (PFM) and structural parameters via X-ray reciprocal space maps (RSM). We hope this work spurs further interest in strain-tuned ferroelectricity in doped HfO2.

  2. Synthesis and structural investigation of the compounds containing HF 2- anions: Ca(HF 2) 2, Ba 4F 4(HF 2)(PF 6) 3 and Pb 2F 2(HF 2)(PF 6)

    NASA Astrophysics Data System (ADS)

    Bunič, Tina; Tramšek, Melita; Goreshnik, Evgeny; Žemva, Boris

    2008-09-01

    Three new compounds Ca(HF 2) 2, Ba 4F 4(HF 2)(PF 6) 3 and Pb 2F 2(HF 2)(PF 6) were obtained in the system metal(II) fluoride and anhydrous HF (aHF) acidified with excessive PF 5. The obtained polymeric solids are slightly soluble in aHF and they crystallize out of their aHF solutions. Ca(HF 2) 2 was prepared by simply dissolving CaF 2 in a neutral aHF. It represents the second known compound with homoleptic HF environment of the central atom besides Ba(H 3F 4) 2. The compounds Ba 4F 4(HF 2)(PF 6) 3 and Pb 2F 2(HF 2)(PF 6) represent two additional examples of the formation of a polymeric zigzag ladder or ribbon composed of metal cation and fluoride anion (MF +) n besides PbF(AsF 6), the first isolated compound with such zigzag ladder. The obtained new compounds were characterized by X-ray single crystal diffraction method and partly by Raman spectroscopy. Ba 4F 4(HF 2)(PF 6) 3 crystallizes in a triclinic space group P1¯ with a=4.5870(2) Å, b=8.8327(3) Å, c=11.2489(3) Å, α=67.758(9)°, β=84.722(12), γ=78.283(12)°, V=413.00(3) Å 3 at 200 K, Z=1 and R=0.0588. Pb 2F 2(HF 2)(PF 6) at 200 K: space group P1¯, a=4.5722(19) Å, b=4.763(2) Å, c=8.818(4) Å, α=86.967(10)°, β=76.774(10)°, γ=83.230(12)°, V=185.55(14) Å 3, Z=1 and R=0.0937. Pb 2F 2(HF 2)(PF 6) at 293 K: space group P1¯, a=4.586(2) Å, b=4.781(3) Å, c=8.831(5) Å, α=87.106(13)°, β=76.830(13)°, γ=83.531(11)°, V=187.27(18) Å 3, Z=1 and R=0.072. Ca(HF 2) 2 crystallizes in an orthorhombic Fddd space group with a=5.5709(6) Å, b=10.1111(9) Å, c=10.5945(10) Å, V=596.77(10) Å 3 at 200 K, Z=8 and R=0.028.

  3. Al and Si Alloying Effect on Solder Joint Reliability in Sn-0.5Cu for Automotive Electronics

    NASA Astrophysics Data System (ADS)

    Hong, Won Sik; Oh, Chulmin; Kim, Mi-Song; Lee, Young Woo; Kim, Hui Joong; Hong, Sung Jae; Moon, Jeong Tak

    2016-08-01

    To suppress the bonding strength degradation of solder joints in automotive electronics, we proposed a mid-temperature quaternary Pb-free Sn-0.5Cu solder alloy with minor Pd, Al, Si and Ge alloying elements. We manufactured powders and solder pastes of Sn-0.5Cu-(0.01,0.03)Al-0.005Si-(0.006-0.007)Ge alloys (T m = 230°C), and vehicle electronic control units used for a flame-retardant-4 printed circuit board with an organic solderability preservative finish were assembled by a reflow soldering process. To investigate the degradation properties of solder joints used in engine compartments, thermal cycling tests were conducted from -40°C to 125°C (10 min dwell) for 1500 cycles. We also measured the shear strength of the solder joints in various components and observed the microstructural evolution of the solder joints. Based on these results, intermetallic compound (IMC) growth at the solder joints was suppressed by minor Pd, Al and Si additions to the Sn-0.5Cu alloy. After 1500 thermal cycles, IMC layers thicknesses for 100 parts per million (ppm) and 300 ppm Al alloy additions were 6.7 μm and 10 μm, compared to the as-reflowed bonding thicknesses of 6 μm and 7 μm, respectively. Furthermore, shear strength degradation rates for 100 ppm and 300 ppm Al(Si) alloy additions were at least 19.5%-26.2%. The cause of the improvement in thermal cycling reliability was analyzed using the (Al,Cu)-Sn, Si-Sn and Al-Sn phases dispersed around the Cu6Sn5 intermetallic at the solder matrix and bonding interfaces. From these results, we propose the possibility of a mid-temperature Sn-0.5Cu(Pd)-Al(Si)-Ge Pb-free solder for automotive engine compartment electronics.

  4. Effect of mixed Ge/Si cross-linking on the physical properties of amorphous Ge-Si-Te networks

    SciTech Connect

    Gunasekera, K.; Boolchand, P.; Micoulaut, M.

    2014-04-28

    Amorphous Ge{sub x}Si{sub x}Te{sub 1−2x} glasses are studied as a function of composition by a combination of experimental and theoretical methods, allowing for a full description of the network structure in relationship with physico-chemical properties. Calorimetric and thermal measurements reveal that such glasses display an anomalous behavior across a range of compositions x{sub c1}=7.5% and Ge, Si) are increased. The structural manifestation of these anomalies is understood from  {sup 119}Sn Mössbauer spectroscopy and First Principles Molecular Dynamics at selected compositions (Ge{sub 20}Te{sub 80}, Si{sub 20}Te{sub 80}, and Ge{sub 10}Si{sub 10}Te{sub 80}). The numerical models reveal the quite different roles played by the modifier or network cross-linker Ge or Si atoms, Si being more tetrahedral in sp{sup 3} geometry, whereas Mössbauer spectroscopy shows that the nature of chemical bonding is dramatically changed around x≃ 8%. The precise evolution of the local structure and chemical bonding ultimately allows understanding the origin of the intermediate phase in these complex tellurides.

  5. In-beam studies of {sup 98}Cd and {sup 102}Sn

    SciTech Connect

    Lipoglavsek, M. |; Gorska, M.; Schubart, R.

    1996-12-31

    For the first time excited states of the neutron deficient nuclei {sup 98}Cd and {sup 102}Sn were identified using in-beam spectroscopy following fusion evaporation reactions. Half lives of long lived isomeric states in both nuclei were also measured. Due to very low cross sections for producing {sup 98}Cd and {sup 102}Sn with stable beams and targets, a special detector setup utilizing NORDBALL ancillary detectors and a recoil catcher device was used. High {gamma}-ray detection efficiency was achieved with two EUROBALL Ge cluster detectors.

  6. Reducing Staphylococcus aureus growth on Ti alloy nanostructured surfaces through the addition of Sn.

    PubMed

    Verissimo, Nathália C; Geilich, Benjamin M; Oliveira, Haroldo G; Caram, Rubens; Webster, Thomas J

    2015-12-01

    β-type Ti alloys containing Nb are exciting materials for numerous orthopedic and dental applications due to their exceptional mechanical properties. To improve their cytocompatibility properties (such as increasing bone growth and decreasing infection), the surfaces of such materials can be optimized by adding elements and/or nanotexturing through anodization. Because of the increasing prevalence of orthopedic implant infections, the objective of this in vitro study was to add Sn and create unique nanoscale surface features on β-type Ti alloys. Nanotubes and nanofeatures on Ti-35Nb and Ti-35Nb-4Sn alloys were created by anodization in a HF-based electrolyte and then heat treated in a furnace to promote amorphous structures and phases such as anatase, a mixture of anatase-rutile, and rutile. Samples were characterized by SEM, which indicated different morphologies dependent on the oxide content and method of modification. XPS experiments identified the oxide content which resulted in a phase transformation in the oxide layer formed onto Ti-35Nb and Ti-35Nb-4Sn alloys. Most importantly, regardless of the resulting nanostructures (nanotubes or nanofeatures) and crystalline phase, this study showed for the first time that adding Sn to β-type Ti alloys strongly decreased the adhesion of Staphylococcus aureus (S. aureus; a bacteria which commonly infects orthopedic implants leading to their failure). Thus, this study demonstrated that β-type Ti alloys with Nb and Sn have great promise to improve numerous orthopedic applications where infection may be a concern.

  7. Hf-W chronometry of primitive achondrites

    NASA Astrophysics Data System (ADS)

    Schulz, T.; Münker, C.; Mezger, K.; Palme, H.

    2010-03-01

    Metal segregation and silicate melting on asteroids are the most incisive differentiation events in the early evolution of planetary bodies. The timing of these events can be constrained using the short-lived 182Hf- 182W radionuclide system. Here we present new 182Hf- 182W data for major types of primitive achondrites including acapulcoites, winonaites and one lodranite. These meteorites are of particular interest because they show only limited evidence for partial melting of silicates and are therefore intermediate between chondrites and achondrites. For acapulcoites we derived a 182Hf- 182W age of Δ tCAI = 4.1 +1.2/ -1.1 Ma. A model age for winonaite separates calculated from the intercept of the isochron defines an age of Δ tCAI = 4.8 +3.1/ -2.6 Ma (assuming a bulk Hf/W ratio of ˜1.2). Both ages most likely define primary magmatic events on the respective parent bodies, such as melting of metal, although metal stayed in place and did not segregate to form a core. A later thermal event is responsible for resetting of the winonaite isochron, yielding an age of Δ tCAI = 14.3 +2.7/ -2.2 Ma, significantly younger than the model age. Assuming a co-genetic relationship between winonaites and silicates present in IAB iron meteorites (based on oxygen isotope composition) and including data by Schulz et al. (2009), a common parent body chronology can be established. Magmatic activity occurred between ˜1.5 and 5 Ma after CAIs. More than 5 Ma later, intensive thermal metamorphism has redistributed Hf-W. Average cooling rates calculated for the winonaite/IAB parent asteroid range between ˜35 and ˜4 K/Ma, most likely reflecting different burial depths. Cooling rates obtained for acapulcoites were ˜40 K/Ma to ˜720 K and then ˜3 K/Ma to ˜550 K. Accretion and subsequent magmatism on the acapulcoite parent body occurred slightly later if compared to most achondrite parent bodies (e.g., angrites, ureilites and eucrites), in this case supporting the concept of an inverse

  8. Ferroelectricity of nondoped thin HfO2 films in TiN/HfO2/TiN stacks

    NASA Astrophysics Data System (ADS)

    Nishimura, Tomonori; Xu, Lun; Shibayama, Shigehisa; Yajima, Takeaki; Migita, Shinji; Toriumi, Akira

    2016-08-01

    We report on the impact of TiN interfaces on the ferroelectricity of nondoped HfO2. Ferroelectric properties of nondoped HfO2 in TiN/HfO2/TiN stacks are shown in capacitance–voltage and polarization–voltage characteristics. The Curie temperature is also estimated to be around 500 °C. The ferroelectricity of nondoped HfO2 clearly appears by thinning HfO2 film down to ∼35 nm. We directly revealed in thermal treatments that the ferroelectric HfO2 film on TiN was maintained by covering the top surface of HfO2 with TiN, while it was followed by a phase transition to the paraelectric phase in the case of the open surface of HfO2. Thus, it is concluded that the ferroelectricity in nondoped HfO2 in this study was mainly driven by both of top and bottom TiN interfaces.

  9. Spectroscopic ellipsometric characterization of Si/Si(1-x)Ge(x) strained-layer superlattices

    NASA Technical Reports Server (NTRS)

    Yao, H.; Woollam, J. A.; Wang, P. J.; Tejwani, M. J.; Alterovitz, S. A.

    1993-01-01

    Spectroscopic ellipsometry (SE) was employed to characterize Si/Si(1-x)Ge(x) strained-layer superlattices. An algorithm was developed, using the available optical constants measured at a number of fixed x values of Ge composition, to compute the dielectric function spectrum of Si(1-x)Ge(x) at an arbitrary x value in the spectral range 17 to 5.6 eV. The ellipsometrically determined superlattice thicknesses and alloy compositional fractions were in excellent agreement with results from high-resolution x ray diffraction studies. The silicon surfaces of the superlattices were subjected to a 9:1 HF cleaning prior to the SE measurements. The HF solution removed silicon oxides on the semiconductor surface, and terminated the Si surface with hydrogen-silicon bonds, which were monitored over a period of several weeks, after the HF cleaning, by SE measurements. An equivalent dielectric layer model was established to describe the hydrogen-terminated Si surface layer. The passivated Si surface remained unchanged for greater than 2 h, and very little surface oxidation took place even over 3 to 4 days.

  10. Improved interfacial and electrical properties of Ge MOS capacitor by using TaON/LaON dual passivation interlayer

    NASA Astrophysics Data System (ADS)

    Cheng, Z. X.; Xu, J. P.; Liu, L.; Huang, Y.; Lai, P. T.; Tang, W. M.

    2016-07-01

    The effects of TaON/LaON dual passivation interlayer on the interfacial and electrical properties of Ge metal-oxide-semiconductor (MOS) capacitor with HfO2 gate dielectric are investigated. As compared to its counterpart with only LaON as passivation interlayer, the formation of HfGeOx and LaHfOx, which would degrade the interfacial quality, is effectively suppressed due to the strong blocking role of the TaON barrier layer against Hf diffusion. As a result, excellent interfacial and electrical properties are achieved for the Ge MOS device with the TaON/LaON dual passivation interlayer: high k value (20.9), low interface-state density (5.32 × 1011 cm-2 eV-1) and oxide-charge density (-3.90 × 1012 cm-2), low gate leakage current density (1.77 × 10-4 A/cm2 at Vg = Vfb + 1 V), and high reliability under high-field stress.

  11. Coulomb excitation of 107Sn

    NASA Astrophysics Data System (ADS)

    DiJulio, D. D.; Cederkall, J.; Fahlander, C.; Ekström, A.; Hjorth-Jensen, M.; Albers, M.; Bildstein, V.; Blazhev, A.; Darby, I.; Davinson, T.; De Witte, H.; Diriken, J.; Fransen, Ch.; Geibel, K.; Gernhäuser, R.; Görgen, A.; Hess, H.; Iwanicki, J.; Lutter, R.; Reiter, P.; Scheck, M.; Seidlitz, M.; Siem, S.; Taprogge, J.; Tveten, G. M.; Van de Walle, J.; Voulot, D.; Warr, N.; Wenander, F.; Wimmer, K.

    2012-07-01

    The radioactive isotope 107Sn was studied using Coulomb excitation at the REX-ISOLDE facility at CERN. This is the lightest odd-Sn nucleus examined using this technique. The reduced transition probability of the lowest-lying 3/2+ state was measured and is compared to shell-model predictions based on several sets of single-neutron energies relative to 100Sn . Similar to the transition probabilities for the 2+ states in the neutron-deficient even-even Sn nuclei, the measured value is underestimated by shell-model calculations. Part of the strength may be recovered by considering the ordering of the d_{5/2} and g_{7/2} single-neutron states.

  12. Parametric excitation of whistler waves by HF heater

    NASA Technical Reports Server (NTRS)

    Kuo, S. P.; Lee, M. C.

    1989-01-01

    Possible generation of whistler waves by Tromso HF heater is investigated. It is shown that the HF heater wave can parametrically decay into a whistler wave and a Langmuir wave. Since whistler waves may have a broad range of frequency, the simultaneously excited Langmuir waves can have a much broader frequency bandwidth than those excited by the parametric decay instability.

  13. Fractionation of Zr and Hf in surface processes

    SciTech Connect

    Chyi, L.L.; Garg, A.N.

    1985-01-01

    Zircons from a pegmatite near Tuxedo, North Carolina were crushed and treated with different reagents under different conditions. The treated and untreated samples were determined for Zr and Hf with radiochemical neutron activation analysis. Zircons treated with 50% sulfuric acid were having lowered Zr content and Zr/Hf ratio. The conclusions are that a portion of Zr and Hf in zircons is sensitive to leaching, and Zr appears to be selectively leached over Hf. The conclusions of this work support the observations of small dissolutions of Zr in both acidic podzolic soils and in alkaline laterites, of lower Zr content in soils on glacial drift, and of lower Zr/Hf ratios in loess deposits from various parts of the world. The fractionation of Zr and Hf in surface processes appears to be due to selective leaching. Weakening of Zr-O over Hf-O bonds in zircon by fission projectiles is postulated to be the viable process. The observed fractionation from leaching experiments suggest that areas receiving leachates such as swamps, lakes, and oceans should have high to very high Zr/Hf ratios preserved in rocks. High ratios are found in the Springfield (No. 9) Coal, the Green River Shale, and various limestones. High ratio is also found in orchard leaves, which grow by absorbing leachate from soil.

  14. Synthesis of Ge1-xSnx alloys by ion implantation and pulsed laser melting: Towards a group IV direct bandgap material

    NASA Astrophysics Data System (ADS)

    Tran, Tuan T.; Pastor, David; Gandhi, Hemi H.; Smillie, Lachlan A.; Akey, Austin J.; Aziz, Michael J.; Williams, J. S.

    2016-05-01

    The germanium-tin (Ge1-xSnx) material system is expected to be a direct bandgap group IV semiconductor at a Sn content of 6.5 - 11 at . % . Such Sn concentrations can be realized by non-equilibrium deposition techniques such as molecular beam epitaxy or chemical vapour deposition. In this report, the combination of ion implantation and pulsed laser melting is demonstrated to be an alternative promising method to produce a highly Sn concentrated alloy with a good crystal quality. The structural properties of the alloys such as soluble Sn concentration, strain distribution, and crystal quality have been characterized by Rutherford backscattering spectrometry, Raman spectroscopy, x ray diffraction, and transmission electron microscopy. It is shown that it is possible to produce a high quality alloy with up to 6.2 at . % Sn . The optical properties and electronic band structure have been studied by spectroscopic ellipsometry. The introduction of substitutional Sn into Ge is shown to either induce a splitting between light and heavy hole subbands or lower the conduction band at the Γ valley. Limitations and possible solutions to introducing higher Sn content into Ge that is sufficient for a direct bandgap transition are also discussed.

  15. Complexity of H-bonding between polar molecules on Si(100)-2 × 1 and Ge(100)-2 × 1 surfaces

    NASA Astrophysics Data System (ADS)

    Huang, Xiang; Tian, Ren-Yu; Yang, Xiao-Bao; Zhao, Yu-Jun

    2016-09-01

    The adsorption of various combinations of three polar molecules (NH3, H2O, and HF) on Si/Ge(100) surface is studied by first-principles calculations. On a given pre-adsorbed substrate, the H-bonding and dative bonding always show a synergistic effect, together with the electrostatic attraction, dominating the adsorption and dissociation of polar molecules on Si/Ge(100). Both H2O and HF are found to be energetically favored to cluster with the pre-adsorbed H2O molecule on Si/Ge(100) surface. Catalyzed by H2O, the dissociation barriers of H2O on Ge(100) decrease from ~ 0.7 to ~ 0.4 eV, in comparison with the nearly an order of magnitude reduction on Si(100). Furthermore, H2O molecule dissociates spontaneously on Si(100) and the barriers are lowered to ~ 0.2 eV on Ge(100) when catalyzed by HF, providing an efficient approach for dissociation of H2O on Si(100) and Ge(100) surfaces.

  16. The crystal structure, electronic, and magnetic properties of NaPd{sub 3}Ge{sub 2}

    SciTech Connect

    Ali, Mazhar N.; Rohr, Fabian von; Campana, C.; Schilling, Andreas; Cava, R.J.

    2015-10-15

    Highlights: • Correct crystal structure of NaPd{sub 3}Ge{sub 2} is solved by single crystal X-ray diffraction. • NaPd{sub 3}Ge{sub 2} is found to crystallize in the ErRh{sub 3}Si{sub 2} structure type. • NaPd{sub 3}Si{sub 2}, NaPd{sub 3}Ge{sub 2} and NaPd{sub 3}Sn{sub 2} are found to be metals down to 2 K. • All three compounds show a weak diamagnetic response down to 2 K. • Trend of p-block atom dimer breaking as function of size. - Abstract: Crystals of NaPd{sub 3}X{sub 2}, (X = Si, Ge, Sn) were synthesized and their crystal structures investigated by single crystal X-ray diffraction. The previously reported structures of NaPd{sub 3}Si{sub 2} and NaPd{sub 3}Sn{sub 2} were confirmed. NaPd{sub 3}Ge{sub 2} was found to have a different unit cell from that originally reported; therefore the structure was solved. It is an orthorhombically distorted version of the hexagonal CeCo{sub 3}Be{sub 2}-type structure, in space group Imma, with cell parameters a = 7.244(1) Å, b = 9.938(1) Å, c = 5.767(2) Å. The originally reported cell is explained through triple twinning of the true cell. The structure of NaPd{sub 3}Ge{sub 2} fits the trend of decreasing X–X dimerization as a function of increasing period from Si–Sn. All three compounds are metals showing weak diamagnetism with increasing resistivity from NaPd{sub 3}Si{sub 2}–NaPd{sub 3}Sn{sub 2}; no superconductivity is observed down to 2 K.

  17. Sub-Barrier Coulomb Excitation of 106,108,110Sn

    NASA Astrophysics Data System (ADS)

    Ekström, A.; Cederkäll, J.; Fahlander, C.; Hjorth-Jensen, M.; Ames, F.; Butler, P. A.; Davinson, T.; Eberth, J.; Georgiev, G.; Gorgen, A.; Górska, M.; Habs, D.; Huyse, M.; Ivanov, O.; Iwanicki, J.; Kester, O.; Köster, U.; Marsh, B. A.; Reiter, P.; Scheit, H.; Schwalm, D.; Siem, S.; Stefanescu, I.; Tveten, G. M.; van de Walle, J.; van Duppen, P.; Voulot, D.; Warr, N.; Weisshaar, D.; Wenander, F.; Zielinska, M.

    2008-05-01

    The reduced transition probabilities between the first excited 2+ state and the 0+ ground state, B(E20+-->2+), have been measured in 106,108,110Sn using sub-barrier Coulomb excitation in inverse kinematics at REX-ISOLDE. The results are, B(E20+-->2+) = 0.220(22), 0.226(17), and 0.228(32)e2b2, for 110Sn, 108Sn, and 106Sn, respectively. The results for 106,108Sn are preliminary. De-excitation γ-rays were detected by the MINIBALL Ge-array. The B(E2) reveals detailed information about the nuclear wave function. A shell model prediction based on an effective CD-Bonn interaction in the ν(0g7/2,2s,1d,0h11/2) model space using eeffν = 1.0 e follows the experimental values for the neutron rich Sn isotopes, but fails to reproduce the results presented here.

  18. Hydrogen Sensor Based on Pd/GeO{sub 2} Using a Low Cost Electrochemical Deposition

    SciTech Connect

    Jawad, M. J.; Hashim, M. R.; Ali, N. K.

    2011-05-25

    This work reports on a synthesis of sub micron germanium dioxide (GeO{sub 2}) on porous silicon (PS) by electrochemical deposition. n-type Si (100) wafer was used to fabricate (PS) using conventional method of electrochemical etching in HF based solution. A GeCl{sub 4} was directly hydrolyzed by hydrogen peroxide to produce pure GeO{sub 2}, and then electrochemically deposited on PS. Followed by palladium (Pd) contact on GeO{sub 2} /PS was achieved by using RF sputtering technique. The grown GeO{sub 2} crystals were characterized using SEM and EDX. I-V characteristics of Pd/ GeO{sub 2} were recorded before and after hydrogen gas exposure as well as with different H{sub 2} concentrations and different applied temperatures. The sensitivity of Pd/ GeO{sub 2} also has been investigated it could be seen to increase significantly with increased hydrogen concentration while it decreased with increase temperature.

  19. Environmental Hf-Nd isotopic decoupling in World river clays

    NASA Astrophysics Data System (ADS)

    Bayon, Germain; Skonieczny, Charlotte; Delvigne, Camille; Toucanne, Samuel; Bermell, Sylvain; Ponzevera, Emmanuel; André, Luc

    2016-03-01

    The hafnium and neodymium radiogenic isotope systems behave differently during Earth surface processes, causing a wide dispersion of Hf and Nd isotopic compositions in sediments and other sedimentary rocks. The decoupling between Hf and Nd isotopes in sediments is generally attributed to a combination of preferential sorting of zircon during sediment transport and incongruent weathering processes on continents. In this study, we analysed size-fractions of sediment samples collected near the mouth of 53 rivers worldwide to better understand the factors controlling the distribution of Hf and Nd isotopes in sediments. Our results for rivers draining old cratonic areas and volcanic provinces demonstrate that both granite and basalt weathering can lead to significant grain-size dependent Hf isotopic variability. While silt-size fractions mainly plot along the Terrestrial Array, World river clays are systematically shifted towards more radiogenic Hf isotopic compositions, defining together with published data a new Clay Array (εHf = 0.78 ×εNd + 5.23). The Hf-Nd isotope decoupling observed in volcanogenic sediments is best explained by selective alteration of Lu-rich mineral phases (e.g. olivine) and preferential enrichment of resistant unradiogenic minerals, such as spinel and ilmenite, in silt fractions. We also show that the extent to which World river clays deviate from the Clay Array (ΔεHf clay) is not linked to the presence of zircons. Instead, it correlates positively with weathering indices and climatic parameters (temperature, rainfall) of the corresponding drainage basins. Overall, these findings demonstrate that the distribution of Hf-Nd isotopes in clay-size sediments is related to a large extent to weathering conditions on continents, although the precise mechanisms controlling this relationship remain unclear. We finally propose that the Hf-Nd isotope pair proxy could be used in palaeoenvironmental studies to provide semi-quantitative information on

  20. The (178m2)Hf Controversy

    SciTech Connect

    Becker, J A; Gemmell, D S; Schiffer, J P; Wilhelmy, J B

    2003-07-24

    Since its discovery in the 1960's the {sup 178m2}Hf isomer has garnered high attention from both the basic and applied communities in nuclear science. It's combination of high spin (16+), long half life (31 yrs), and high excitation energy (2.446 MeV) offer unique possibilities as an energy storage medium. Interest in the isomer was rekindled beginning in 1999 when a series of publications began to appear from a group (referred to here as the ''Texas collaboration'') primarily based at the University of Texas, Dallas [1]. They reported observations that some of the stored energy could be released (''triggered'') when the isomer was exposed to a fluence of photons in the energy range {approx}10 to {approx}60 keV. The implications of this observation are profound. Even though the claimed cross section for the process was {approx}7 orders of magnitude greater than would be predicted from the known systematics of photon absorption by nuclei in this mass range [2], such a highly efficient method for triggering the isomeric deexcitation immediately suggested applications utilizing the explosive or the controlled gradual energy release from a very compact source. The prospect of such applications has focused considerable interest on realizing the promise that is implicit in the reported observations. However, two experiments performed by a group from ANL/LANL/LLNL at the Advanced Photon Source at Argonne (the ''APS collaboration'') reported negative results for the observation of any photon-triggered deexcitation of the {sup 178m2}Hf isomer [3]. This has led to a continued controversy, where both sides have adamantly defended their observations. At this point an outsider has difficulty determining whether there is indeed a triggering effect that should be pursued energetically with substantial resources, or whether the phenomenon consists of overly optimistic interpretation of data.

  1. SN 2009E: a faint clone of SN 1987A

    NASA Astrophysics Data System (ADS)

    Pastorello, A.; Pumo, M. L.; Navasardyan, H.; Zampieri, L.; Turatto, M.; Sollerman, J.; Taddia, F.; Kankare, E.; Mattila, S.; Nicolas, J.; Prosperi, E.; San Segundo Delgado, A.; Taubenberger, S.; Boles, T.; Bachini, M.; Benetti, S.; Bufano, F.; Cappellaro, E.; Cason, A. D.; Cetrulo, G.; Ergon, M.; Germany, L.; Harutyunyan, A.; Howerton, S.; Hurst, G. M.; Patat, F.; Stritzinger, M.; Strolger, L.-G.; Wells, W.

    2012-01-01

    Context.1987A-like events form a rare sub-group of hydrogen-rich core-collapse supernovae that are thought to originate from the explosion of blue supergiant stars. Although SN 1987A is the best known supernova, very few objects of this group have been discovered and, hence, studied. Aims: In this paper we investigate the properties of SN 2009E, which exploded in a relatively nearby spiral galaxy (NGC 4141) and that is probably the faintest 1987A-like supernova discovered so far. We also attempt to characterize this subgroup of core-collapse supernovae with the help of the literature and present new data for a few additional objects. Methods: The lack of early-time observations from professional telescopes is compensated by frequent follow-up observations performed by a number of amateur astronomers. This allows us to reconstruct a well-sampled light curve for SN 2009E. Spectroscopic observations which started about 2 months after the supernova explosion, highlight significant differences between SN 2009E and the prototypical SN 1987A. Modelling the data of SN 2009E allows us to constrain the explosion parameters and the properties of the progenitor star, and compare the inferred estimates with those available for the similar SNe 1987A and 1998A. Results: The light curve of SN 2009E is less luminous than that of SN 1987A and the other members of this class, and the maximum light curve peak is reached at a slightly later epoch than in SN 1987A. Late-time photometric observations suggest that SN 2009E ejected about 0.04 M⊙ of 56Ni, which is the smallest 56Ni mass in our sample of 1987A-like events. Modelling the observations with a radiation hydrodynamics code, we infer for SN 2009E a kinetic plus thermal energy of about 0.6 foe, an initial radius of ~7 × 1012 cm and an ejected mass of ~19 M⊙. The photospheric spectra show a number of narrow (v ≈ 1800 km s-1) metal lines, with unusually strong Ba II lines. The nebular spectrum displays narrow emission lines of

  2. Structures of tin cluster cations Sn3+ to Sn15+

    NASA Astrophysics Data System (ADS)

    Drebov, Nedko; Oger, Esther; Rapps, Thomas; Kelting, Rebecca; Schooss, Detlef; Weis, Patrick; Kappes, Manfred M.; Ahlrichs, Reinhart

    2010-12-01

    We employ a combination of ion mobility measurements and an unbiased systematic structure search with density functional theory methods to study structure and energetics of gas phase tin cluster cations, {Snn}^+, in the range of n = 3-15. For {Sn_{13}}^+ we also carry out trapped ion electron diffraction measurements to ascertain the results obtained by the other procedures. The structures for the smaller systems are most easily described by idealized point group symmetries, although they are all Jahn-Teller distorted: D_{3h} (trigonal bipyramid), D_{4h} (octahedron), D_{5h} (pentagonal bipyramid) for n = 5, 6, and 7. For the larger systems we find capped D_{5h} for {Sn8}^+ and {Sn9}^+, D_{3h} (tricapped trigonal prism) and D_{4d} (bicapped squared antiprism) plus adatoms for n = 10, 11, 14, and 15. A centered icosahedron with a peripheral atom removed is the dominant motif in {Sn_{12}}^+. For {Sn_{13}}^+ the calculations predict a family of virtually isoenergetic isomers, an icosahedron and slightly distorted icosahedra, which are about 0.25 eV below two C_1 structures. The experiments indicate the presence of two structures, one from the I_h family and a prolate C_1 isomer based on fused deltahedral moieties.

  3. Ferroelectricity-modulated resistive switching in Pt/Si:HfO2/HfO2-x /Pt memory

    NASA Astrophysics Data System (ADS)

    Ran, Jiang; Xianghao, Du; Zuyin, Han

    2016-08-01

    It is investigated for the effect of a ferroelectric Si:HfO2 thin film on the resistive switching in a stacked Pt/Si:HfO2/highly-oxygen-deficient HfO2-x /Pt structure. Improved resistance performance was observed. It was concluded that the observed resistive switching behavior was related to the modulation of the width and height of a depletion barrier in the HfO2-x layer, which was caused by the Si:HfO2 ferroelectric polarization field effect. Reliable switching reproducibility and long data retention were observed in these memory cells, suggesting their great potential in non-volatile memories applications with full compatibility and simplicity. Project supported by the National Natural Science Foundation of China (No. 11374182), the Natural Science Foundation of Shandong Province (No. ZR2012FQ012), and the Jinan Independent Innovation Projects of Universities (No. 201303019).

  4. Gas-phase NMR measurements, absolute shielding scales, and magnetic dipole moments of 29Si and 73Ge nuclei.

    PubMed

    Makulski, W; Jackowski, K; Antusek, A; Jaszuński, M

    2006-10-12

    New gas-phase NMR measurements of the shielding constants of 29Si, 73Ge, and 1H nuclei in SiH4 and GeH4 are reported. The results, extrapolated to zero density, provide accurate isolated molecule values, best suited for comparison with theoretical calculations. Using the recent ab initio results for these molecules and the measured chemical shifts, we determine the absolute shielding scales for 29Si and 73Ge. This allows us to provide new values of the nuclear magnetic dipole moments for these two nuclei; in addition, we examine the dipole moments of 13C and 119Sn.

  5. Site Dependency of the High Conductivity of Ga 2 In 6 Sn 2 O 16 : The Role of the 7-Coordinate Site

    SciTech Connect

    Rickert, Karl; Huq, Ashfia; Lapidus, Saul H.; Wustrow, Allison; Ellis, Donald E.; Poeppelmeier, Kenneth R.

    2015-11-11

    In 6-coordinated cation sites, we find that it is the fundamental building block of the most effective transparent conducting oxides. Ga2In6SnO16, however, maintains 4-, 6-, 7-, and 8-coordinated cation sites and still exhibits desirable transparency and high conductivity. To investigate the potential impact of these alternative sites, we partially replace the Sn in Ga2In6Sn2O16 with Ti, Zr, or Hf and use a combined approach of density functional theory-based calculations, X-ray diffraction, and neutron diffraction to establish that the substitution occurs preferentially on the 7-coordinate site. Conversely to Sn, the empty d orbitals of Ti, Zr, and Hf promote spd covalency with the surrounding oxygen, which decreases the conductivity. Pairing the substitutional site preference with the magnitude of this decrease demonstrates that the 7-coordinate site is the V major contributor to conductivity. The optical band gaps, in contrast, are shown to be site-independent and composition-dependent. After all 7-coordinate Sn has been replaced, the continued substitution of Sn results in the formation of a 7-coordinate In antisite or replacement of 6-coordinate Sn, depending on the identity of the d(0) substitute.

  6. Crystal structures of the new ternary stannides La3Mg4-xSn2+x and LaMg3-xSn2

    NASA Astrophysics Data System (ADS)

    Solokha, P.; De Negri, S.; Minetti, R.; Proserpio, D. M.; Saccone, A.

    2016-01-01

    Synthesis and structural characterization of the two new lanthanum-magnesium-stannides La3Mg4-xSn2+x (0.12≤x≤0.40) and LaMg3-xSn2 (0.33≤x≤0.78) are reported. The crystal structures of these intermetallics were determined by single crystal X-ray diffraction analysis and confirmed by Rietveld refinement of powder X-ray diffraction patterns of the corresponding samples. The La3Mg4-xSn2+x phase crystallizes in the hexagonal Zr3Cu4Si2 structure type (P6bar2m, hP9, Z=3, x=0.12(1), a=7.7974(7), c=4.8384(4) Å), which represents an ordered derivative of the hP9-ZrNiAl prototype, ubiquitous among equiatomic intermetallics. The LaMg3-xSn2 phase is the second representative of the trigonal LaMg3-xGe2 type, which is a superstructure of the LaLi3Sb2 structure type (P3bar1c, hP34-0.12, Z=6, x=0.35(1), a=8.3222(9), c=14.9546(16) Å). The scheme describing the symmetry reduction/coloring with respect to the parent type is reported here with the purpose to discuss the LaMg3-xSn2 off-stoichiometry from the geometrical point of view. Structural relationships between the La-Mg-Sn ternary phases, including the already known equiatomic LaMgSn compound (oP12-TiNiSi), are presented in the framework of the AlB2-related compounds family and discussed with the aid of group-subgroup relations in the Bärnighausen formalism.

  7. Improvement of thermoelectric properties for half-Heusler TiNiSn by interstitial Ni defects

    SciTech Connect

    Hazama, Hirofumi; Matsubara, Masato; Asahi, Ryoji; Takeuchi, Tsunehiro

    2011-09-15

    We have synthesized off-stoichiometric Ti-Ni-Sn half-Heusler thermoelectrics in order to investigate the relation between randomly distributed defects and thermoelectric properties. A small change in the composition of Ti-Ni-Sn causes a remarkable change in the thermal conductivity. An excess content of Ni realizes a low thermal conductivity of 2.93 W/mK at room temperature while keeping a high power factor. The low thermal conductivity originates in the defects generated by an excess content of Ni. To investigate the detailed defect structure, we have performed first-principles calculations and compared with x ray photoemission spectroscopy measurement. Based on these analyses, we conclude that the excess Ni atoms randomly occupy the vacant sites in the half-Heusler structure, which play as phonon scattering centers, resulting in significant improvement of the figure of merit without any substitutions of expensive heavy elements, such as Zr and Hf.

  8. Large Nd-Hf isotopic decoupling in Himalayan River Sediments

    NASA Astrophysics Data System (ADS)

    Garcon, M.; Chauvel, C.; France-Lanord, C.

    2011-12-01

    Nd isotopic compositions of river sediments are widely used to trace sediment provenance in the Himalayan mountain range. In contrast, Hf isotopic compositions are not used even though they are excellent proxies to record the history of continental areas (Hawkesworth and Kemp, Chem. Geol. 226, 2006). Here, we focus on the Hf isotopic message carried by Himalayan river sediments and combine it to the more classical Nd isotopes to better understand the behavior of the two systems during erosion. We report Nd-Hf isotopic compositions of bedloads and suspended loads sampled at different depths in the Narayani River in Nepal (upstream of the Ganga floodplain), in the Ganga River in Bangladesh (downstream of the Ganga floodplain) and in the Yamuna River, a major tributary of the Ganga in India. Nd-Hf isotopic compositions of bedloads span a small range of values (-18< ɛNd <-16 and -30< ɛHf <-23) and lie next to the terrestrial array in a ɛHf vs. ɛNd diagram. Nd isotopic compositions are similar to those of the main Himalayan sources. By contrast, suspended loads have much more variable ratios (-19< ɛNd <-10 and -25< ɛHf <-7) and plot well above the terrestrial array in a ɛHf vs. ɛNd diagram. Like oceanic sediments, they are characterized by high ɛHf compared to their ɛNd. We explain this Nd-Hf decoupling by mineralogical sorting, a process that enriches bottom sediments in coarse and dense minerals, such as unradiogenic zircons, while the surface sediments are enriched in fine material with radiogenic Hf signatures. Bedloads and suspended loads, collected at the same sampling site at different depths in the Narayani and Ganga Rivers, share similar ɛNd. However, differences of about 5 ɛNd and 15 ɛHf units are observed between bedload and surface samples in the Yamuna River. In this river, both Nd and Hf isotopic ratios decrease from surface to bottom. We believe that part of the Hf isotopic variability is due to mineralogical sorting but the rest of it

  9. Magnetic Properties of Liquid 3d Transition Metal-Ge Alloys

    NASA Astrophysics Data System (ADS)

    Ohno, Satoru; Shimakura, Hironori; Tahara, Shuta; Okada, Tatsuya

    2015-07-01

    The magnetic susceptibilities (χ) of liquid Ti-Ge and V-Ge alloys show a weak and positive temperature dependence in restricted regions of up to 30 at. % Ti and 40 at. % V, respectively. This suggests that the Ti and V ions in these liquid alloys are in a nonmagnetic state. The χ values of liquid TM-Ge (TM = Fe, Co, Ni) alloys on the Ge-rich side exhibit a similar temperature dependence. The data in the nonmagnetic state were analyzed using the Anderson model. In the nonmagnetic state, we found smooth variations in which both the effective intra-atomic d-d interaction and the density of 3d states at the Fermi level EF decrease with increasing EF of liquid TM0.1M0.9 (M = SnGe → Si) alloys. Liquid Cr1-cGec with c ≥ 0.7 and Mn1-cGec with c ≥ 0.3 obeyed the Curie-Weiss law with regard to the temperature dependence of their χ. The composition dependences of the χ of liquid Cr-Ge and Mn-Ge alloys show maxima at compositions of 50 at. % Cr and 70 at. % Mn, respectively. The magnetic susceptibilities of liquid Fe1-cGec with c ≤ 0.7, liquid Co1-cGec with c ≤ 0.3, and liquid Ni1-cGec with c ≤ 0.1 also exhibited a Curie-Weiss-type behavior. We compared the effective number of Bohr magnetons of liquid TM-Ge alloys with those of liquid TM-Sn and TM-Si alloys at the same TM composition and also investigated the relationship between χ3d and EF for liquid TM0.5M0.5 alloys.

  10. Power-Stepped HF Cross Modulation Experiments at HAARP

    NASA Astrophysics Data System (ADS)

    Greene, S.; Moore, R. C.; Langston, J. S.

    2013-12-01

    High frequency (HF) cross modulation experiments are a well established means for probing the HF-modified characteristics of the D-region ionosphere. In this paper, we apply experimental observations of HF cross-modulation to the related problem of ELF/VLF wave generation. HF cross-modulation measurements are used to evaluate the efficiency of ionospheric conductivity modulation during power-stepped modulated HF heating experiments. The results are compared to previously published dependencies of ELF/VLF wave amplitude on HF peak power. The experiments were performed during the March 2013 campaign at the High Frequency Active Auroral Research Program (HAARP) Observatory. HAARP was operated in a dual-beam transmission format: the first beam heated the ionosphere using sinusoidal amplitude modulation while the second beam broadcast a series of low-power probe pulses. The peak power of the modulating beam was incremented in 1-dB steps. We compare the minimum and maximum cross-modulation effect and the amplitude of the resulting cross-modulation waveform to the expected power-law dependence of ELF/VLF wave amplitude on HF power.

  11. Critical Questions about PARADIGM-HF and the Future

    PubMed Central

    Chen, Chen-Huan

    2016-01-01

    Cardiovascular (CV) diseases in general and heart failure (HF) in particular are major contributors to death and morbidity and are also recognized as important drivers of health care expenditure. The PARADIGM-HF trial was a pivotal trial designed to compare the long-term effects of LCZ696 with enalapril in patients with symptomatic HF with reduced ejection fraction (HFrEF). This review article presents an in-depth view of the PARADIGM-HF trial and the implications of the results in the management of patients with HF and is based on peer reviewed manuscripts, editorials, perspectives and opinions written about the PARADIGM-HF trial. The article presents the key safety and efficacy results of the trial with specific emphasis on the clinical implications of these findings. The review highlights the highly statistically significant, 20% reduction in the primary composite endpoint of cardiovascular death or HF hospitalization, and a 16% reduction in the risk of death from any cause. It also provides an overview of the design, clinical findings, limitations and special areas of clinical interest. The review discusses the future of LCZ696 and additional trials that seek to answer questions in other sub-populations of patients with HF. The article reiterates what has been concluded by many experts in the field of HF- the introduction of LCZ696 into routine clinical care, while dependent on the regulatory approvals in various countries as well as acceptance by physicians, payers and patients, will change the treatment landscape for patients with HFrEF. PMID:27471351

  12. Role of ITO electrode in the resistive switching behavior of TiN/HfO2/ITO memory devices at different annealing temperatures

    NASA Astrophysics Data System (ADS)

    Ye, Cong; Deng, Teng-fei; Wu, Jiaji; Zhan, Chao; Wang, Hao; Zhang, Jun

    2015-05-01

    TiN/HfO2/ITO memory devices were fabricated and annealed at 200, 300, and 400 °C. At room temperature (RT), 200 °C, and 300 °C, the devices show the self-compliance phenomenon and a low SET voltage of 0.2 V, while at 400 °C the SET voltage increases to 1.1 V and the low resistance state (LRS) current increases to 8 mA. We deduced that the impact of annealing temperature on the resistive switching behavior is mainly attributed to the indium tin oxide (ITO) electrode. Some Sn4+ ions in the ITO electrode drift towards the HfO2 layer owing to the electrical force, then an interfacial layer is formed and acts as an internal resistor. At 400 °C, the remarkable increase of LRS current is attributed to the decreases in both the ITO electrode resistance and the interface resistance.

  13. Structural and Optical Properties of SnxGe1-x thin films and Quantum Dots

    NASA Astrophysics Data System (ADS)

    Blacksberg, Jordana

    2005-03-01

    SnxGe1-x layers and quantum dots (QDs) are of great interest as materials that could provide tunable direct band gaps, allowing completely group IV-based optoelectronic devices. These materials could be used in a wide range of applications such as emitters, infrared detectors, and thermophotovoltaics. However, substantial challenges remain in the growth and processing of these materials. We have grown SnxGe1-x films by Molecular Beam Epitaxy (MBE), using low growth temperatures (<200^oC) in order to grow fully strained layers. X-ray diffraction, transmission electron microscopy, and Rutherford backscattering spectroscopy data indicate high-quality epitaxial films. Post-growth annealing was used to form QDs. Either QDs or quantum wires may be formed depending on annealing parameters. The effects of varying substrate temperature between 400C (wires) and 750C (QDs) on size and distribution of quantum structures were explored and will be discussed. Sn concentration (0-10%) and film thickness (40nm - 200nm) were also varied. Optical properties probed by Fourier transform infrared spectroscopy (FTIR) will be presented. FTIR spectra clearly show the decrease in band gap of SnxGe1-x layers with increasing Sn fraction up to 10%. Photomodulated reflectance (PR) is another sensitive method for probing critical points in SnxGe1-x band structure, and can detect both direct and indirect transitions. PR results for SnxGe1-x layers will also be discussed.

  14. Stratospheric HF and HCl observations /15 June 1981/

    NASA Technical Reports Server (NTRS)

    Traub, W. A.; Chance, K. V.

    1981-01-01

    Balloon measurements of the stratospheric HF/HCl ratio are reported. Seven far-infrared rotational lines of HF and HCl were observed at elevation angles of 25, 18 and 8 deg by a far-infrared Fourier-transform spectrometer on board a balloon platform at 28.5 km. Analysis of line intensities yields an average HF/HCl ratio of 0.18 + or - 0.02 at an effective altitude of 33 km, with a water vapor mixing ratio of about 4 ppmv. Results are noted to be in reasonable agreement with the calculated profile of Sze and Ko (1981) with 4.5 ppmv H2O.

  15. Pulsed HF laser ablation of dentin

    NASA Astrophysics Data System (ADS)

    Papagiakoumou, Eirini I.; Papadopoulos, Dimitris N.; Makropoulou, Mersini I.; Khabbaz, Maruan G.; Serafetinides, Alexander A.

    2005-03-01

    The interaction of a TEA (Transversally Excited Atmospheric pressure) corona preionized oscillator double amplifier HF (hydrogen fluoride) laser beam with dentin tissue is reported. Pulses of 39 ns in the wavelength range of 2.65-3.35 μm and output energies in the range of 10-45 mJ, in a predominantly TEM00 beam were used to interact with dentin tissue. Ablation experiments were conducted with the laser beam directly focused on the tissue. Several samples of freshly extracted human teeth were used, cut longitudinally in facets of about 1mm thick and stored in phosphate buffered saline after being cleaned from the soft tissue remains. The experimental data (ablation thresholds, ablation rates) are discussed with respect to the ablation mechanism(s). Adequate tissue removal was observed and the ablation behavior was, in the greates part of the available fluences, almost linear. From the microscopic examination of teh samples, in a scanning electron microscope (SEM), the irradiated surfaces displayed oval craters (reflecting the laser beam shape) with absence of any melting or carbonization zone. It is suggested that the specific laser removes hard tissue by a combined photothermal and plasma mediated ablation mechanism, leaving a surface free from thermal damage and with a well-shaped crater.

  16. Theoretical Assessment of 178m2Hf De-Excitation

    SciTech Connect

    Hartouni, E P; Chen, M; Descalle, M A; Escher, J E; Loshak, A; Navratil, P; Ormand, W E; Pruet, J; Thompson, I J; Wang, T F

    2008-10-06

    This document contains a comprehensive literature review in support of the theoretical assessment of the {sup 178m2}Hf de-excitation, as well as a rigorous description of controlled energy release from an isomeric nuclear state.

  17. Superconducting properties of the noncentrosymmetric superconductor Re6Hf

    NASA Astrophysics Data System (ADS)

    Singh, D.; Hillier, A. D.; Thamizhavel, A.; Singh, R. P.

    2016-08-01

    We report synthesis and detailed characterization of the noncentrosymmetric superconductor Re6Hf using powder x-ray diffraction (XRD), magnetization, transport, and thermodynamic measurements. XRD confirmed the noncentrosymmetric, α -Mn cubic structure in Re6Hf with the cubic cell parameter a =9.6850 (3 ) Å. Resistivity, DC, and AC magnetization measurements confirmed the type-II superconductivity in Re6Hf with the transition temperature Tconset˜5.96 K, having the lower critical field Hc 1(0 ) 5.6 mT and upper critical field Hc 2(0 ) 12.2 T. The electronic specific heat data fits well with the single-gap BCS model. The Sommerfeld coefficient (γ ) also shows linear relation with the magnetic field. All above results suggest s -wave superconductivity in Re6Hf .

  18. Low-Frequency Waves in HF Heating of the Ionosphere

    NASA Astrophysics Data System (ADS)

    Sharma, A. S.; Eliasson, B.; Milikh, G. M.; Najmi, A.; Papadopoulos, K.; Shao, X.; Vartanyan, A.

    2016-02-01

    Ionospheric heating experiments have enabled an exploration of the ionosphere as a large-scale natural laboratory for the study of many plasma processes. These experiments inject high-frequency (HF) radio waves using high-power transmitters and an array of ground- and space-based diagnostics. This chapter discusses the excitation and propagation of low-frequency waves in HF heating of the ionosphere. The theoretical aspects and the associated models and simulations, and the results from experiments, mostly from the HAARP facility, are presented together to provide a comprehensive interpretation of the relevant plasma processes. The chapter presents the plasma model of the ionosphere for describing the physical processes during HF heating, the numerical code, and the simulations of the excitation of low-frequency waves by HF heating. It then gives the simulations of the high-latitude ionosphere and mid-latitude ionosphere. The chapter also briefly discusses the role of kinetic processes associated with wave generation.

  19. Amorphous powders of Al-Hf prepared by mechanical alloying

    SciTech Connect

    Schwarz, R.B.; Hannigan, J.W.; Sheinberg, H.; Tiainen, T.

    1988-01-01

    We synthesized amorphous Al/sub 50/Hf/sub 50/ alloy powder by mechanically alloying an equimolar mixture of crystalline powders of Al and Hf using hexane as a dispersant. We characterized the powder as a function of mechanical-alloying time by scanning electron microscopy, x-ray diffraction, and differential scanning calorimetry. Amorphous Al/sub 50/Hf/sub 50/ powder heated at 10 K s/sup /minus/1/ crystallizes polymorphously at 1003 K into orthorhombic AlHf (CrB-type structure). During mechanical alloying, some hexane decomposes and hydrogen and carbon are incorporated into the amorphous alloy powder. The hydrogen can be removed by annealing the powder by hot pressing at a temperature approximately 30 K below the crystallization temperature. The amorphous compacts have a diamond pyramidal hardness of 1025 DPH. 24 refs., 7 figs., 1 tab.

  20. Lu-Hf constraints on the evolution of lunar basalts

    NASA Technical Reports Server (NTRS)

    Fujimaki, H.; Tatsumoto, M.

    1984-01-01

    It is shown that a cumulate-remelting model best explains the recently acquired data on the Lu-Hf systematics of lunar mare basalts. The model is constructed using Lu and Hf concentration data and is strengthened by Hf isotopic evidence of Unruh et al. (1984). It is shown that the similarity in MgO/FeO ratios and Cr2O3 content in high-Ti and low-Ti basalts are not important constraints on lunar basalt petrogenesis. The model demonstrates that even the very low Ti or green glass samples are remelting products of a cumulate formed after at least 80-90 percent of the lunar magma ocean had solidified. In the model, all the mare basalts and green glasses were derived from 100-150 km depth in the lunar mantle. The Lu-Hf systematics of KREEP basalts clearly indicate that they would be the final residual liquid of the lunar magma ocean.

  1. Application of HF radar currents to oil spill modelling.

    PubMed

    Abascal, Ana J; Castanedo, Sonia; Medina, Raul; Losada, Inigo J; Alvarez-Fanjul, Enrique

    2009-02-01

    In this work, the benefits of high-frequency (HF) radar currents for oil spill modeling and trajectory analysis of floating objects are analyzed. The HF radar performance is evaluated by means of comparison between a drifter buoy trajectory and the one simulated using a Lagrangian trajectory model. A methodology to optimize the transport model performance and to calculate the search area of the predicted positions is proposed. This method is applied to data collected during the Galicia HF Radar Experience. This experiment was carried out to explore the capabilities of this technology for operational monitoring along the Spanish coast. Two long-range HF radar stations were installed and operated between November 2005 and February 2006 on the Galician coast. In addition, a drifter buoy was released inside the coverage area of the radar. The HF radar currents, as well as numerical wind data were used to simulate the buoy trajectory using the TESEO oil spill transport model. In order to evaluate the contribution of HF radar currents to trajectory analysis, two simulation alternatives were carried out. In the first one, wind data were used to simulate the motion of the buoy. In the second alternative, surface currents from the HF radar were also taken into account. For each alternative, the model was calibrated by means of the global optimization algorithm SCEM-UA (Shuffled Complex Evolution Metropolis) in order to obtain the probability density function of the model parameters. The buoy trajectory was computed for 24h intervals using a Monte Carlo approach based on the results provided in the calibration process. A bivariate kernel estimator was applied to determine the 95% confidence areas. The analysis performed showed that simulated trajectories integrating HF radar currents are more accurate than those obtained considering only wind numerical data. After a 24h period, the error in the final simulated position improves using HF radar currents. Averaging the

  2. Phase control of HF chemical lasers for coherent optical recombination.

    PubMed

    Wang, C P; Smith, P L

    1979-05-01

    A servo system for phase-locking two HF chemical lasers has been designed and simulated. A steady-state phase error is achieved that is adequate for coherent optical recombination. The results are based on the measured frequency drift of a small HF chemical laser and the measured frequency response of a piezoelectric transducer (PZT) mirror driver. A major innovation is the use of rate feedback with a laser Doppler sensor to extend the useful frequency response of the PZT driver.

  3. Few-layer HfS2 transistors

    PubMed Central

    Kanazawa, Toru; Amemiya, Tomohiro; Ishikawa, Atsushi; Upadhyaya, Vikrant; Tsuruta, Kenji; Tanaka, Takuo; Miyamoto, Yasuyuki

    2016-01-01

    HfS2 is the novel transition metal dichalcogenide, which has not been experimentally investigated as the material for electron devices. As per the theoretical calculations, HfS2 has the potential for well-balanced mobility (1,800 cm2/V·s) and bandgap (1.2 eV) and hence it can be a good candidate for realizing low-power devices. In this paper, the fundamental properties of few-layer HfS2 flakes were experimentally evaluated. Micromechanical exfoliation using scotch tape extracted atomically thin HfS2 flakes with varying colour contrasts associated with the number of layers and resonant Raman peaks. We demonstrated the I-V characteristics of the back-gated few-layer (3.8 nm) HfS2 transistor with the robust current saturation. The on/off ratio was more than 104 and the maximum drain current of 0.2 μA/μm was observed. Moreover, using the electric double-layer gate structure with LiClO4:PEO electrolyte, the drain current of the HfS2 transistor significantly increased to 0.75 mA/μm and the mobility was estimated to be 45 cm2/V·s at least. This improved current seemed to indicate superior intrinsic properties of HfS2. These results provides the basic information for the experimental researches of electron devices based on HfS2. PMID:26926098

  4. Few-layer HfS2 transistors

    NASA Astrophysics Data System (ADS)

    Kanazawa, Toru; Amemiya, Tomohiro; Ishikawa, Atsushi; Upadhyaya, Vikrant; Tsuruta, Kenji; Tanaka, Takuo; Miyamoto, Yasuyuki

    2016-03-01

    HfS2 is the novel transition metal dichalcogenide, which has not been experimentally investigated as the material for electron devices. As per the theoretical calculations, HfS2 has the potential for well-balanced mobility (1,800 cm2/V·s) and bandgap (1.2 eV) and hence it can be a good candidate for realizing low-power devices. In this paper, the fundamental properties of few-layer HfS2 flakes were experimentally evaluated. Micromechanical exfoliation using scotch tape extracted atomically thin HfS2 flakes with varying colour contrasts associated with the number of layers and resonant Raman peaks. We demonstrated the I-V characteristics of the back-gated few-layer (3.8 nm) HfS2 transistor with the robust current saturation. The on/off ratio was more than 104 and the maximum drain current of 0.2 μA/μm was observed. Moreover, using the electric double-layer gate structure with LiClO4:PEO electrolyte, the drain current of the HfS2 transistor significantly increased to 0.75 mA/μm and the mobility was estimated to be 45 cm2/V·s at least. This improved current seemed to indicate superior intrinsic properties of HfS2. These results provides the basic information for the experimental researches of electron devices based on HfS2.

  5. 75 FR 47318 - GE Asset Management Incorporated and GE Investment Distributors, Inc.; Notice of Application and...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-08-05

    ... COMMISSION GE Asset Management Incorporated and GE Investment Distributors, Inc.; Notice of Application and.... Applicants: GE Asset Management Incorporated (``GEAM'') and GE Investment Distributors, Inc. (``GEID....\\3\\ The Commission alleged in the complaint (``Complaint'') that, from 2000 to 2003, four...

  6. Synthesis of freestanding HfO2 nanostructures

    PubMed Central

    2011-01-01

    Two new methods for synthesizing nanostructured HfO2 have been developed. The first method entails exposing HfTe2 powders to air. This simple process resulted in the formation of nanometer scale crystallites of HfO2. The second method involved a two-step heating process by which macroscopic, freestanding nanosheets of HfO2 were formed as a byproduct during the synthesis of HfTe2. These highly two-dimensional sheets had side lengths measuring up to several millimeters and were stable enough to be manipulated with tweezers and other instruments. The thickness of the sheets ranged from a few to a few hundred nanometers. The thinnest sheets appeared transparent when viewed in a scanning electron microscope. It was found that the presence of Mn enhanced the formation of HfO2 by exposure to ambient conditions and was necessary for the formation of the large scale nanosheets. These results present new routes to create freestanding nanostructured hafnium dioxide. PACS: 81.07.-b, 61.46.Hk, 68.37.Hk. PMID:21711786

  7. Thermal stability of HfO2 nanotube arrays

    SciTech Connect

    Qiu, Xiaofeng; Howe, Jane Y; Meyer III, Harry M; Tuncer, Enis; Paranthaman, Mariappan Parans

    2010-01-01

    Thermal stability of highly ordered hafnium oxide (HfO2) nanotube arrays prepared through an electrochemical anodization method in the presence of ammonium fluoride is investigated in a temperature range of room temperature to 900 C in flowing argon atmosphere. The formation of the HfO2 nanotube arrays was monitored by current density transient characteristics during anodization of hafnium metal foil. Morphologies of the as-grown and post-annealed HfO2 nanotube arrays were analyzed by powder Xray diffraction (XRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). Although monoclinic HfO2 is thermally stable up to 2000K in bulk, the morphology of HfO2 nanotube arrays degraded at 900 C. A detailed X-ray photoelectron spectroscopy (XPS) study revealed that the thermal treatment significantly impacted the composition and the chemical environment of the core elements (Hf and O), as well as F content coming from the electrolyte. Possible reasons for the degradation of the nanotube at high temperature were discussed based on XPS study and possible future improvements have also been suggested. Moreover, dielectric measurements were carried out on both the as-grown amorphous film and 500 C post-annealed crystalline film. This study will help us to understand the temperature impact on the morphology of nanotube arrays, which is important to its further applications at elevated temperatures.

  8. Tracking magmatic processes through Zr/Hf ratios in rocks and Hf and Ti zoning in zircons: An example from the Spirit Mountain batholith, Nevada

    USGS Publications Warehouse

    Lowery, Claiborne L.E.; Miller, C.F.; Walker, B.A.; Wooden, J.L.; Mazdab, F.K.; Bea, F.

    2006-01-01

    Zirconium and Hf are nearly identical geochemically, and therefore most of the crust maintains near-chondritic Zr/Hf ratios of ???35-40. By contrast, many high-silica rhyolites and granites have anomalously low Zr/Hf (15-30). As zircon is the primary reservoir for both Zr and Hf and preferentially incorporates Zr, crystallization of zircon controls Zr/ Hf, imprinting low Zr/Hf on coexisting melt. Thus, low Zr/Hf is a unique fingerprint of effective magmatic fractionation in the crust. Age and compositional zonation in zircons themselves provide a record of the thermal and compositional histories of magmatic systems. High Hf (low Zr/ Hf) in zircon zones demonstrates growth from fractionated melt, and Ti provides an estimate of temperature of crystallization (TTiZ) (Watson and Harrison, 2005). Whole-rock Zr/Hf and zircon zonation in the Spirit Mountain batholith, Nevada, document repeated fractionation and thermal fluctuations. Ratios of Zr/Hf are ???30-40 for cumulates and 18-30 for high-SiO2 granites. In zircons, Hf (and U) are inversely correlated with Ti, and concentrations indicate large fluctuations in melt composition and TTiZ (>100??C) for individual zircons. Such variations are consistent with field relations and ion-probe zircon geochronology that indicate a >1 million year history of repeated replenishment, fractionation, and extraction of melt from crystal mush to form the low Zr/Hf high-SiO2 zone. ?? 2006 The Mineralogical Society.

  9. SAO RAS SN candidates classifications

    NASA Astrophysics Data System (ADS)

    Fatkhullin, T. A.; Moskvitin, A. S.

    2016-08-01

    We observed SN candidates (AT 2016eow, AT 2016enu and AT 2016enf) with the BTA/Scorpio-I on August, 4. Direct images in the R band and long-slit spectra in the range of 3600-7600AA (resolution FWHM = 10A) were obtained.

  10. Multilayered Ge/SiGe Material in Microfabricated Thermoelectric Modules

    NASA Astrophysics Data System (ADS)

    Samarelli, A.; Llin, L. Ferre; Cecchi, S.; Chrastina, D.; Isella, G.; Etzelstorfer, T.; Stangl, J.; Gubler, E. Muller; Weaver, J. M. R.; Dobson, P.; Paul, D. J.

    2014-10-01

    Results for low dimensional p-type Ge/SiGe superlattices with Ge quantum wells of 3.43 nm are presented. A range of microfabricated test structures have been developed to characterise the cross-plane electrical and thermal properties of the Ge/SiGe heterostructures. These superlattices were directly grown on 100-mm-diameter silicon wafers by a chemical vapour deposition growth system with rates up to 6 nm/s. Quantum well and quantum mechanical tunnel barriers with dimensions down to nm have been designed, grown and tested; they demonstrate a ZT of 0.08 ± 0.011 and power factor of 1.34 ± 0.15 m W m-1 K-2 at 300 K. A complete microfabricated module using indium bump-bonding is reported together with preliminary results on unoptimised material and leg dimensions. Routes to optimise the material and modules are discussed.

  11. Geochemistry of tin (Sn) in Chinese coals.

    PubMed

    Qu, Qinyuan; Liu, Guijian; Sun, Ruoyu; Kang, Yu

    2016-02-01

    Based on 1625 data collected from the published literature, the geochemistry of tin (Sn) in Chinese coals, including the abundance, distribution, modes of occurrence, genetic types and combustion behavior, was discussed to make a better understanding. Our statistic showed the average Sn of Chinese coal was 3.38 mg/kg, almost two times higher than the world. Among all the samples collected, Guangxi coals occupied an extremely high Sn enrichment (10.46 mg/kg), making sharp contrast to Xinjiang coals (0.49 mg/kg). Two modes of occurrence of Sn in Chinese coals were found, including sulfide-bounded Sn and clay-bounded Sn. In some coalfields, such as Liupanshui, Huayingshan and Haerwusu, a response between REEs distribution and Sn content was found which may caused by the transportation of Sn including clay minerals between coal seams. According to the responses reflecting on REEs patterns of each coalfield, several genetic types of Sn in coalfields were discussed. The enrichment of Sn in Guangxi coals probably caused by Sn-rich source rocks and multiple-stage hydrothermal fluids. The enriched Sn in western Guizhou coals was probably caused by volcanic ashes and sulfide-fixing mechanism. The depletion of Sn in Shengli coalfield, Inner Mongolia, may attribute to hardly terrigenous input and fluids erosion. As a relative easily volatilized element, the Sn-containing combustion by-products tended to be absorbed on the fine particles of fly ash. In 2012, the emission flux of Sn by Chinese coal combustion was estimated to be 0.90 × 10(9) g. PMID:25686909

  12. Challenging the assumptions of Lu-Hf dating in spinel-peridotites

    NASA Astrophysics Data System (ADS)

    Byerly, B. L.; Lassiter, J. C.

    2013-12-01

    Lu-Hf 'pseudoisochrons' using peridotite-derived clinopyroxene separates are commonly used to constrain timing of melt depletion and lithosphere formation. However, cpx-based pseudoisochrons are only valid if 1) almost all Hf and Lu is hosted in the cpx, or 2) the system is below the mineral closure temperature. We tested these assumptions by examining Lu and Hf partitioning and Hf-isotope variations in cpx, opx, and bulk peridotite in xenoliths from the eastern Colorado Plateau and Rio Grande Rift. The samples primarily derive from Proterozoic SCLM, span a range of fertility (spinel Cr# range from 0.1-0.5), and have equilibration temperatures ranging from 950-1050°C, similar to temperatures reported for other xenoliths utilized in Lu-Hf isotope studies. Cpx have Hf and Lu concentrations ranging from 40-1000 ppb and 80-290 ppb, respectively. Opx have much lower Hf and Lu concentrations (5-60 ppb and 21-51 ppb). Concentrations of Lu, Hf, and other trace elements are well correlated between cpx and opx, indicating mineral equilibrium. DLucpx/opx and DHfcpx/opx range from 3.5-6.1 and 7.0-20, and are negatively correlated with cpx MgO content and other indices of peridotite fertility (e.g., spinel Cr#). Our results agree with (and extend the compositional range of) partition coefficients estimated following the formulation of [1]. The fraction of Lu and Hf hosted in opx increases in highly refractory samples. Although Lu/Hf in cpx is close to WR Lu/Hf in fertile samples, in refractory samples it is much lower. Hf isotopes in cpx are well correlated with cpx Lu/Hf (r2 = 0.998) and yield a pseudoisochron age of ~1.6 Ga (initial ɛHf of +30). Opx have systematically higher Lu/Hf than cpx, but in most samples have identical Hf isotopes. Some opx and WR have lower 176Hf/177Hf, similar to the host magma, likely reflecting melt contamination. The identical Hf isotopes in cpx and opx indicate that xenoliths evolved above the Lu-Hf closure temperature. Therefore, cpx (and opx

  13. Radio Observations of SN 2006fo

    NASA Astrophysics Data System (ADS)

    Soderberg, Alicia

    2006-09-01

    "I observed the Type Ibc SN 2006fo (IAUC 8750, CBET 643) with the Very Large Array on Sep 26.2 UT as part of an ongoing program to study the radio properties of SNe Ibc discovered through the SDSS SN survey. SN 2006fo is not detected at 8.5 or 22.5 GHz. At a distance of 88 Mpc, the radio luminosity of SN 2006fo is at least a factor of 100 lower than that of SN 1998bw at a similar epoch (Kulkarni et al., 1998, Nature, 395, 663).

  14. Role of Hf on Phase Formation in Ti45Zr(38-x)Hf(x)Ni17 Liquids and Solids

    NASA Technical Reports Server (NTRS)

    Wessels, V.; Sahu, K. K.; Gangopadhyay, A. K.; Huett, V. T.; Canepari, S.; Goldman, A. I.; Hyers, R. W.; Kramer, M. J.; Rogers, J. R.; Kelton, K. F.; Robinson, D.

    2008-01-01

    Hafnium and zirconium are very similar, with almost identical sizes and chemical bonding characteristics. However, they behave differently when alloyed with Ti and Ni. A sharp phase formation boundary near 18-21 at.% Hf is observed in rapidly-quenched and as-cast Ti45Zr38-xHfxNi17 alloys. Rapidly-quenched samples that contain less than 18 at.% Hf form the icosahedral quasicrystal phase, whiles samples containing more than 21 at.% form the 3/2 rational approximant phase. In cast alloys, a C14 structure is observed for alloys with Hf lower than the boundary concentration, while a large-cell (11.93 ) FCC Ti2Ni-type structure is found in alloys with Hf concentrations above the boundary. To better understand the role of Hf on phase formation, the structural evolution with supercooling and the solidification behavior of liquid Ti45Zr38-xHfxNi17 alloys (x=0, 12, 18, 21, 38) were studied using the Beamline Electrostatic Levitation (BESL) technique using 125keV x-rays on the 6ID-D beamline at the Advanced Photon Source, Argonne National Laboratory. For all liquids primary crystallization was to a BCC solid solution phase; interestly, an increase in Hf concentration leads to a decrease in the BCC lattice parameter in spite of the chemical similarity between Zr and Hf. A Reitveld analysis confirmed that as in the cast alloys, the secondary phase that formed was the C14 below the phase formation boundary and a Ti2Ni-type structure at higher Hf concentrations. Both the liquidus temperature and the reduced undercooling change sharply on traversing the phase formation boundary concentration, suggesting a change in the liquid structure. Structural information from a Honeycutt-Anderson index analysis of reverse Monte Carlo fits to the S(q) liquid data will be presented to address this issue.

  15. Serpentinization Changes Nd, but not Hf Isotopes of Abyssal Peridotites

    NASA Astrophysics Data System (ADS)

    Bizimis, M.; Frisby, C. P.; Mallick, S.

    2015-12-01

    Serpentinization of the oceanic lithosphere is a known sink for fluid mobile elements (B, Cl, Li, Sr, etc.), while high field strength elements (HFSE: e.g., Hf, Zr, Ti, Nb) are thought to be unaffected by it. In contrast, the fate of REE during serpentinization is equivocal. Correlations between REE and HFSE concentrations in abyssal peridotites suggest control by magmatic processes (Niu, 2004, J. Pet), while some LREE enrichments in serpentinized peridotites compared to their clinopyroxene (cpx) and Nd, Sr isotope data (Delacour et al., 2008, Chem. Geol.) imply seawater-derived REE addition to the mantle protolith (Paulick et al., 2006, Chem. Geol). To further constrain peridotite-seawater interaction during serpentinization we compare bulk rock and cpx Hf and Nd isotope data in partially (up to ~70%) serpentinized abyssal peridotites (9-16°E South West Indian Ridge). We also present a new method that improves yields in Hf, Nd and Pb separations from depleted (<0.03 ppm Hf) ultramafic rocks, which includes coprecipitation of metals with Al-Fe hydroxides and ether-HCl liquid-liquid exchange for Fe removal. Nd isotopes in the bulk peridotite are up to 7ɛNd units less radiogenic than their cpx (i.e., the magmatic value) while Hf isotopes remain equal to cpx within 1 ɛHf. Melt-rock reaction by the local lavas cannot generate this decoupling. The largest Nd isotopic difference between cpx and bulk is seen in the most LREE-depleted samples, while refertilized samples show little change. Leaching experiments show that 30-60% of REE are mobilized from the rock, but >90% of Hf, Zr, Ti are retained in the residue. LA-ICPMS data shows that serpentine after olivine typically has higher LREE/HREE ratios than cpx, pronounced negative Ce anomalies, high U, Sr concentrations and low HFSE, unlike the coexisting cpx. These data are consistent with some seawater-derived LREE addition to peridotite during serpentinization, localized in the serpentine and other secondary phases

  16. SN 1961V: From Alpha to Omega?

    NASA Astrophysics Data System (ADS)

    Van Dyk, Schuyler D.; Filippenko, Alexei V.; Cenko, Bradley S.; Shields, Joseph C.

    2013-06-01

    The extraordinary object SN 1961V in NGC 1058 remains controversial to this day. It has long been considered the prototypical "supernova impostor," i.e., the giant eruption of a highly massive star with energetics that rival true supernovae. However, a number of arguments have been put forward that SN 1961V actually was a true SN, and that the explosion followed a sustained powerful outburst from its precursor star, much like the amazing SN 2009ip and other recent events. We will briefly discuss the debate that has roiled over SN 1961V, and we will also present evidence, including from new observations, which may indicate that the precursor has survived. Determining the true nature of SN 1961V will inform our understanding of the late stages of pre-SN evolution for the most massive stars.

  17. Investigation and Development of Data-Driven D-Region Model for HF Systems Impacts

    NASA Technical Reports Server (NTRS)

    Eccles, J. V.; Rice, D.; Sojka, J. J.; Hunsucker, R. D.

    2002-01-01

    Space Environment Corporation (SEC) and RP Consultants (RPC) are to develop and validate a weather-capable D region model for making High Frequency (HF) absorption predictions in support of the HF communications and radar communities. The weather-capable model will assimilate solar and earth space observations from NASA satellites. The model will account for solar-induced impacts on HF absorption, including X-rays, Solar Proton Events (SPE's), and auroral precipitation. The work plan includes: I . Optimize D-region model to quickly obtain ion and electron densities for proper HF absorption calculations. 2. Develop indices-driven modules for D-region ionization sources for low, mid, & high latitudes including X-rays, cosmic rays, auroral precipitation, & solar protons. (Note: solar spectrum & auroral modules already exist). 3. Setup low-cost monitors of existing HF beacons and add one single-frequency beacon. 4. Use PENEX HF-link database with HF monitor data to validate D-region/HF absorption model using climatological ionization drivers. 5. Develop algorithms to assimilate NASA satellite data of solar, interplanetary, and auroral observations into ionization source modules. 6. Use PENEX HF-link & HF-beacon data for skill score comparison of assimilation versus climatological D-region/HF absorption model. Only some satellites are available for the PENEX time period, thus, HF-beacon data is necessary. 7. Use HF beacon monitors to develop HF-link data assimilation algorithms for regional improvement to the D-region/HF absorption model.

  18. Ge-Au eutectic bonding of Ge {100} single crystals

    NASA Astrophysics Data System (ADS)

    Knowlton, W. B.; Itoh, K. M.; Beeman, J. W.; Emes, J. H.; Loretto, D.; Haller, E. E.

    1993-11-01

    We present preliminary results on the eutectic bonding between two {100} Ge single crystal surfaces using thin films of Au ranging from 900Å/surface to 300Å/surface and Pd (10% the thickness of Au). Following bonding, plan view optical microscopy (OM) of the cleaved interface of samples with Au thicknesses ≤ 500Å/surface show a eutectic morphology more conducive to phonon transmission through the bond interface. High resolution transmission electron microscopy (HRTEM) cross sectional interface studies of a 300Å/surface Au sample show <100> epitaxial growth of Ge. In sections of the bond, lattice continuity of the Ge is apparent through the interface. TEM studies also reveal <110> heteroepitaxial growth of Au with a Au-Ge lattice mismatch of less than 2%. Eutectic bonds with 200Å/surface Au have been attained with characterization pending. An optical polishing technique for Ge has been optimized to insure intimate contact between the Ge surfaces prior to bonding. Interferometry analysis of the optically polished Ge surface shows that surface height fluctuations lie within ±150Å across an interval of 1mm. Characterization of phonon transmission through the interface is discussed with respect to low temperature detection of ballistic phonons.

  19. Hf-Zr anomalies in clinopyroxene from mantle xenoliths from France and Poland: implications for Lu-Hf dating of spinel peridotite lithospheric mantle

    NASA Astrophysics Data System (ADS)

    Downes, Hilary; de Vries, Caja; Wittig, Nadine

    2014-09-01

    Clinopyroxenes in some fresh anhydrous spinel peridotite mantle xenoliths from the northern Massif Central (France) and Lower Silesia (Poland), analysed for a range of incompatible trace elements by laser ablation inductively coupled plasma mass spectrometry, show unusually strong negative anomalies in Hf and Zr relative to adjacent elements Sm and Nd, on primitive mantle-normalised diagrams. Similar Zr-Hf anomalies have only rarely been reported from clinopyroxene in spinel peridotite mantle xenoliths worldwide, and most are not as strong as the examples reported here. Low Hf contents give rise to a wide range of Lu/Hf ratios, which over geological time would result in highly radiogenic ɛHf values, decoupling them from ɛNd ratios. The high 176Lu/177Hf could in theory produce an isochronous relationship with 176Hf/177Hf over time; an errorchron is shown by clinopyroxene from mantle xenoliths from the northern Massif Central. However, in a review of the literature, we show that most mantle spinel peridotites do not show such high Lu/Hf ratios in their constituent clinopyroxenes, because they lack the distinctive Zr-Hf anomaly, and this limits the usefulness of the application of the Lu-Hf system of dating to garnet-free mantle rocks. Nevertheless, some mantle xenoliths from Poland or the Czech Republic may be amenable to Hf-isotope dating in the future.

  20. Hf-Zr anomalies in clinopyroxene from mantle xenoliths from France and Poland: implications for Lu-Hf dating of spinel peridotite lithospheric mantle

    NASA Astrophysics Data System (ADS)

    Downes, Hilary; de Vries, Caja; Wittig, Nadine

    2015-01-01

    Clinopyroxenes in some fresh anhydrous spinel peridotite mantle xenoliths from the northern Massif Central (France) and Lower Silesia (Poland), analysed for a range of incompatible trace elements by laser ablation inductively coupled plasma mass spectrometry, show unusually strong negative anomalies in Hf and Zr relative to adjacent elements Sm and Nd, on primitive mantle-normalised diagrams. Similar Zr-Hf anomalies have only rarely been reported from clinopyroxene in spinel peridotite mantle xenoliths worldwide, and most are not as strong as the examples reported here. Low Hf contents give rise to a wide range of Lu/Hf ratios, which over geological time would result in highly radiogenic ɛHf values, decoupling them from ɛNd ratios. The high 176Lu/177Hf could in theory produce an isochronous relationship with 176Hf/177Hf over time; an errorchron is shown by clinopyroxene from mantle xenoliths from the northern Massif Central. However, in a review of the literature, we show that most mantle spinel peridotites do not show such high Lu/Hf ratios in their constituent clinopyroxenes, because they lack the distinctive Zr-Hf anomaly, and this limits the usefulness of the application of the Lu-Hf system of dating to garnet-free mantle rocks. Nevertheless, some mantle xenoliths from Poland or the Czech Republic may be amenable to Hf-isotope dating in the future.

  1. Nanostructured rocksalt-type solid solution series (Ge1-xSnxTe)nSb2Te3 (n=4, 7, 12; 0≤x≤1): Thermal behavior and thermoelectric properties

    NASA Astrophysics Data System (ADS)

    Rosenthal, Tobias; Neudert, Lukas; Ganter, Pirmin; de Boor, Johannes; Stiewe, Christian; Oeckler, Oliver

    2014-07-01

    Solid solutions (Ge1-xSnxTe)nSb2Te3 (n=4, 7, 12; 0≤x≤1) represent stable high-temperature phases and can be obtained as metastable compounds by quenching. High-resolution transmission electron microscopy reveals that the quenched (pseudo-)cubic materials exhibit parquet-like nanostructures comparable to, but especially for n=4 more pronounced than in (GeTe)nSb2Te3 (GST materials). The temperature-dependent phase transitions are comparable; however, substitution with Sn significantly lowers the transition temperatures between cubic high-temperature phase and the long range ordered layered phases that are stable at ambient conditions. In addition, the metrics of the quenched Sn-containing materials remains closer to cubic, especially for samples with n=7 or 12. For samples with high defect concentrations (n=4, 7), Sn-substituted samples exhibit electrical conductivities up to 3 times higher than those of corresponding GST materials. Since the difference in thermal conductivity is much less pronounced, this results in a doubling of the thermoelectric figure of merit (ZT) at high temperatures for (Ge0.5Sn0.5Te)4Sb2Te3 as compared to (GeTe)4Sb2Te3. Sn doping in (GeTe)7Sb2Te3 increases the ZT value by a factor of up to 4 which is also due to an increased Seebeck coefficient.

  2. Stellar laboratories: new Ge V and Ge VI oscillator strengths and their validation in the hot white dwarf RE 0503-289

    NASA Astrophysics Data System (ADS)

    Rauch, T.; Werner, K.; Biémont, É.; Quinet, P.; Kruk, J. W.

    2012-10-01

    Context. State-of-the-art spectral analysis of hot stars by means of non-LTE model-atmosphere techniques has arrived at a high level of sophistication. The analysis of high-resolution and high-S/N spectra, however, is strongly restricted by the lack of reliable atomic data for highly ionized species from intermediate-mass metals to trans-iron elements. Especially data for the latter has only been sparsely calculated. Many of their lines are identified in spectra of extremely hot, hydrogen-deficient post-AGB stars. A reliable determination of their abundances establishes crucial constraints for AGB nucleosynthesis simulations and, thus, for stellar evolutionary theory. Aims: In a previous analysis of the UV spectrum of RE 0503-289, spectral lines of highly ionized Ga, Ge, As, Se, Kr, Mo, Sn, Te, I, and Xe were identified. Individual abundance determinations are hampered by the lack of reliable oscillator strengths. Most of these identified lines stem from Ge V. In addition, we identified Ge VI lines for the first time. We calculated Ge V and Ge VI oscillator strengths in order to reproduce the observed spectrum. Methods: We newly calculated Ge V and Ge VI oscillator strengths to consider their radiative and collisional bound-bound transitions in detail in our non-LTE stellar-atmosphere models for the analysis of the Ge iv-vi spectrum exhibited in high-resolution and high-S/N FUV (FUSE) and UV (ORFEUS/BEFS, IUE) observations of RE 0503-289. Results: In the UV spectrum of RE 0503-289, we identify four Ge IV, 37 Ge V, and seven Ge VI lines. Most of these lines are identified for the first time in any star. We can reproduce almost all Ge IV, Ge V, and Ge VI lines in the observed spectrum of RE 0503-289 (Teff = 70 kK, log g = 7.5) at log Ge = -3.8 ± 0.3 (mass fraction, about 650 times solar). The Ge iv/v/vi ionization equilibrium, that is a very sensitive Teff indicator, is reproduced well. Conclusions: Reliable measurements and calculations of atomic data are a

  3. Latitudinal distributions and temporal changes of stratospheric HCl and HF

    NASA Technical Reports Server (NTRS)

    Mankin, W. G.; Coffey, M. T.

    1983-01-01

    Hydrogen chloride and hydrogen fluoride are important sinks in the stratosphere for free halogens. The major sources of chlorine and fluorine in the stratosphere are anthropogenic; therefore, a measurement of HCl and HF gives information about the magnitude of anthropogenic effects on stratospheric chemistry and may give some information about the stratospheric hydroxyl concentration as well. The total column amount of HCl and HF above 12 km has been determined by measuring infrared absorption spectra with a high-resolution Fourier transform spectrometer flown on a jet aircraft. The HCl column varies from 0.7 x 10 to the 15th molecules/ sq cm near the equator to 2.7 x 10 to the 15th molecules/sq cm at 70 N; the HF column is about a factor of 5 lower. The HCl:HF ratio is almost independent of latitude, and neither constituent shows substantial seasonal or diurnal variation. At mid-latitudes, the data from 1978 to 1982 show an annual increase of 5 percent per year for HCl and 12 percent per year for HF.

  4. Developments in HF equipment and systems mobile and portable terminals

    NASA Astrophysics Data System (ADS)

    Wilson, Q. C.

    1986-03-01

    Before the advent of satellite platforms, sophisticated high frequency (HF) propagation and system research promised improved capability during disturbed ionospheric propagation conditions. However, satellite relays captured the imaginations and pocketbooks of the communications community in the mid-1960s. Consequently, extant HF systems aged while satellite systems were implemented. During peacetime, satellite systems transmit quality low data rate communications and navigation aids to mobile users, but there is now renewed interest in the low cost and survivability attributes of HF radio. At this time, when old HF prime systems need replacement for logistical reasons, the need for low cost communications that can survive jamming, nuclear effects, and space warfare is not satisfied. The HF renaissance is the response to this challenge. Logistical replacement procurements that provide new capabilities are redressing the attrition of vacuum-tube radio equipment over the last decade. Procuring organizations typically compile specifications comprising state-of-the-art and new capabilities offered by competing vendors. Integrated circuits, which include microprocessors, synthesizer ele ments, and other evolving components, have led to new circuit architectures. The first of the following three sections describes: Receivers; Transceivers and Antenna Couplers; Antenna Kits; and Audio Channel Peripherals.

  5. Uniaxially stressed Ge:Ga and Ge:Be

    SciTech Connect

    Dubon, O.D. Jr.

    1992-12-01

    The application of a large uniaxial stress to p-type Ge single crystals changes the character of both the valence band and the energy levels associated with the acceptors. Changes include the splitting of the fourfold degeneracy of the valence band top and the reduction of the ionization energy of shallow acceptors. In order to study the effect of uniaxial stress on transport properties of photoexcited holes, a variable temperature photo-Hall effect system was built in which stressed Ge:Ga and Ge:Be could be characterized. Results indicate that stress increases the lifetime and Hall mobility of photoexcited holes. These observations may help further the understanding of fundamental physical processes that affect the performance of stressed Ge photoconductors including the capture of holes by shallow acceptors.

  6. SN X-ray Progenitor?

    NASA Technical Reports Server (NTRS)

    2008-01-01

    Identifying stars that explode, right before they explode, is a tricky proposition since the end of starlife comes swiftly: in thermonuclear deflagrations, in nuclear exhaustion, or maybe in a rapid swirling merger of two dead stellar cores. On the right in the image above is an image of the galaxy NGC 1404 taken by the UV/optical Telescope (UVOT) on the Swift observatory. The circle surrounds SN 2007on, a supernova of Type Ia produced by the explosion of a white dwarf star in a binary system. These types of supernovae are important since they are believed to be 'standard candles', events which have the same intrinsic brightness which can serve as an important yardstick to measure cosmic distances. On the left is an image of the same galaxy taken by the Chandra X-ray observatory four years before the supernova. Conspicuous in the SN source circle is a bright source in the Chandra image, believed to be emission from a compact object+normal star companion: a similar system to the supposed precursor of SN 2007on. If true this would be the first time a Type Ia supernova precursor has ever been seen. But astronomers are still debating whether the Chandra source really is the precursor or not; it seems there's a slight but significant difference in the location of the Chandra source and the supernova. Stay tuned for more developments.

  7. Effect of Remote Oxygen Scavenging on Electrical Properties of Ge-Based Metal-Oxide-Semiconductor Capacitors

    NASA Astrophysics Data System (ADS)

    Fadida, Sivan; Nyns, Laura; Van Elshocht, Sven; Eizenberg, Moshe

    2016-08-01

    Remote oxygen scavenging has been studied in a metal/high-k dielectric/GeO2/Ge stack, where a thin Ti layer inserted into the metal/high-k dielectric interface serves as the scavenger. First, we established that remote oxygen scavenging indeed occurs specifically in the studied HfO2/Al2O3/GeO2/Ge stack. It was also established that the source for oxygen is decomposition of the GeO2 layer. Then, the effect of remote oxygen scavenging of the GeO2 layer on the electrical characteristics of the metal/oxide/Ge capacitors was investigated. The electrical properties were studied in comparison with identical gate stacks with a Pt electrode, before and after annealing. Although a decrease in effective oxide thickness was demonstrated as a result of this process, clear degradation of the interface electrical quality was observed after scavenging. Initiation of the scavenging process was witnessed upon deposition of Ti at room temperature, emphasizing that this process could not be controlled.

  8. Dry-wet digital etching of Ge1-xSnx

    NASA Astrophysics Data System (ADS)

    Shang, Colleen K.; Wang, Vivian; Chen, Robert; Gupta, Suyog; Huang, Yi-Chiau; Pao, James J.; Huo, Yijie; Sanchez, Errol; Kim, Yihwan; Kamins, Theodore I.; Harris, James S.

    2016-02-01

    The development of a precise micromachining process for Ge1-xSnx has the potential to enable both the fabrication and optimization of Ge1-xSnx-based devices in photonics and microelectromechanical systems. We demonstrate a digital etching scheme for Ge0.922Sn0.078 based on a two-stage, highly selective CF4 plasma dry etch and HCl wet etch. Using X-Ray Reflectivity, we show consistent etch control as low as 1.5 nm per cycle, which is defined as one dry etch step followed by one wet etch step. The etch rate increases to 3.2 nm per cycle for a longer dry etch time due to physical sputtering contributions, accompanied by an increase in RMS surface roughness. By operating within a regime with minimal sputtering, we demonstrate that good digital etch depth control and surface quality can be achieved using this technique.

  9. Research into the microstructure and mechanical behavior of eutectic Bi-Sn and In-Sn

    SciTech Connect

    Goldstein, J.L.F.; Mei, Z.; Morris, J.W. Jr. |

    1993-08-01

    This manuscript reports on research into two low-melting, lead-free solder alloys, eutectic Bi-Sn and eutectic In-Sn. The microstructures were found to depend on both cooling rate and substrate, with the greatest variability in the In-Sn alloy. The nature of the intermetallic layer formed at the solder-substrate interface depends on both the solder and the substrate (Cu versus Ni). Also, the microstructure of the Bi-Sn can recrystallize during deformation, which is not the case with In-Sn. Data from creep and constant strain rate tests are given for slowly cooled samples. The creep behavior of In-Sn is constant with temperature, but the creep seems to be controlled by the In-rich phase in In-Sn on Cu and by the Sn-rich phase in In-Sn on Ni. Bi-Sn exhibits different creep behavior at temperatures above 40 {degrees}C than at 20 {degrees}C or lower. Stress-strain curves of Bi-Sn on Cu and In-Sn on Cu are similar, while In-Sn on Ni behaves differently. This is explained in terms of the deformation patterns in the alloys.

  10. LA-ICP-MS analyses of minor and trace elements and bulk Ge isotopes in zoned Ge-rich sphalerites from the Noailhac - Saint-Salvy deposit (France): Insights into incorporation mechanisms and ore deposition processes

    NASA Astrophysics Data System (ADS)

    Belissont, Rémi; Boiron, Marie-Christine; Luais, Béatrice; Cathelineau, Michel

    2014-02-01

    The increasing worldwide demand in germanium (Ge) is driving renewed research for understanding its geological cycle and the factors controlling its concentration in minerals. The advent of accurate, high-resolution trace element analysis by LA-ICP-MS, as well as the advances in MC-ICP-MS technique for Ge isotopes in sulphides, has enhanced studies in this field. Ge isobaric interferences, standard calibration and data interpretation remain outstanding issues needing to be addressed for more precise and comprehensive LA-ICP-MS analyses. An integrated mineralogical and geochemical study was carried out on typical sphalerite (ZnS) samples from the main Ge deposit in western Europe: the vein-type Zn-Ge-Ag-(Pb-Cd) deposit of Noailhac - Saint-Salvy (Tarn, France). In situ coupled measurements of trace elements and S isotopes were performed using LA-ICP-MS and SIMS, respectively, together with bulk Ge isotopes by MC-ICP-MS. Principal component analyses revealed element clusters antithetically distributed within distinct zoning types in sphalerite: sector zonings are enriched in Cu, Ge, Ga, Sb and As, whereas rhythmic bandings (dark brown bands primarily) are enriched in Fe, Cd, In and Sn. This typical distribution points to crystallographic controls on trace element uptake during sphalerite growth, occurring with concomitant microscale variations in fluid compositions at the fluid-crystal interface. Regardless of the zoning type, in all spots, Cu contents approach the sum of tri- and tetravalent cations (Ge, Ga, In, etc.) so that Cu could provide charge-balance for the entire set of coupled substitution mechanisms responsible for the incorporation of the whole range of trace elements in this sphalerite. Strong binary correlations suggest direct substitutions as Zn2+ ↔ (Fe2+, Cd2+) and coupled substitutions as 2Zn2+ ↔ Cu+ + Sb3+, 3Zn2+ ↔ Ge4+ + 2Ag+, and 3Zn2+ ↔ In3+ + Sn3+ + □ (vacancy) despite no clear evidence for the presence of Sn4+. δ74GeNIST3120a in bulk

  11. A Luminous Peculiar Type Ia Supernova SN 2011hr: More Like SN 1991T or SN 2007if?

    NASA Astrophysics Data System (ADS)

    Zhang, Ju-Jia; Wang, Xiao-Feng; Sasdelli, Michele; Zhang, Tian-Meng; Liu, Zheng-Wei; Mazzali, Paolo A.; Meng, Xiang-Cun; Maeda, Keiichi; Chen, Jun-Cheng; Huang, Fang; Zhao, Xu-Lin; Zhang, Kai-Cheng; Zhai, Qian; Pian, Elena; Wang, Bo; Chang, Liang; Yi, Wei-Min; Wang, Chuan-Jun; Wang, Xue-Li; Xin, Yu-Xin; Wang, Jian-Guo; Lun, Bao-Li; Zheng, Xiang-Ming; Zhang, Xi-Liang; Fan, Yu-Feng; Bai, Jin-Ming

    2016-02-01

    Photometric and spectroscopic observations of a slowly declining, luminous Type Ia supernova (SN Ia) SN 2011hr in the starburst galaxy NGC 2691 are presented. SN 2011hr is found to peak at {M}B\\=\\-19.84+/- 0.40 {mag}, with a postmaximum decline rate Δm15(B) = 0.92 ± 0.03 mag. From the maximum-light bolometric luminosity, L\\=\\(2.30+/- 0.90)× {10}43 {erg} {{{s}}}-1, we estimate the mass of synthesized 56Ni in SN 2011hr to be M{(}56{Ni})\\=\\1.11+/- 0.43 {M}⊙ . SN 2011hr appears more luminous than SN 1991T at around maximum light, and the absorption features from its intermediate-mass elements (IMEs) are noticeably weaker than those of the latter at similar phases. Spectral modeling suggests that SN 2011hr has IMEs of ˜0.07 {M}⊙ in the outer ejecta, which is much lower than the typical value of normal SNe Ia (i.e., 0.3-0.4 {M}⊙ ) and is also lower than the value of SN 1991T (i.e., ˜0.18 {M}⊙ ). These results indicate that SN 2011hr may arise from a Chandrasekhar-mass white dwarf progenitor that experienced a more efficient burning process in the explosion. Nevertheless, it is still possible that SN 2011hr may serve as a transitional object connecting the SN 1991T-like SNe Ia with a superluminous subclass like SN 2007if given that the latter also shows very weak IMEs at all phases.

  12. A Luminous Peculiar Type Ia Supernova SN 2011hr: More Like SN 1991T or SN 2007if?

    NASA Astrophysics Data System (ADS)

    Zhang, Ju-Jia; Wang, Xiao-Feng; Sasdelli, Michele; Zhang, Tian-Meng; Liu, Zheng-Wei; Mazzali, Paolo A.; Meng, Xiang-Cun; Maeda, Keiichi; Chen, Jun-Cheng; Huang, Fang; Zhao, Xu-Lin; Zhang, Kai-Cheng; Zhai, Qian; Pian, Elena; Wang, Bo; Chang, Liang; Yi, Wei-Min; Wang, Chuan-Jun; Wang, Xue-Li; Xin, Yu-Xin; Wang, Jian-Guo; Lun, Bao-Li; Zheng, Xiang-Ming; Zhang, Xi-Liang; Fan, Yu-Feng; Bai, Jin-Ming

    2016-02-01

    Photometric and spectroscopic observations of a slowly declining, luminous Type Ia supernova (SN Ia) SN 2011hr in the starburst galaxy NGC 2691 are presented. SN 2011hr is found to peak at {M}B\\=\\-19.84+/- 0.40 {mag}, with a postmaximum decline rate Δm15(B) = 0.92 ± 0.03 mag. From the maximum-light bolometric luminosity, L\\=\\(2.30+/- 0.90)× {10}43 {erg} {{{s}}}-1, we estimate the mass of synthesized 56Ni in SN 2011hr to be M{(}56{Ni})\\=\\1.11+/- 0.43 {M}ȯ . SN 2011hr appears more luminous than SN 1991T at around maximum light, and the absorption features from its intermediate-mass elements (IMEs) are noticeably weaker than those of the latter at similar phases. Spectral modeling suggests that SN 2011hr has IMEs of ∼0.07 {M}ȯ in the outer ejecta, which is much lower than the typical value of normal SNe Ia (i.e., 0.3–0.4 {M}ȯ ) and is also lower than the value of SN 1991T (i.e., ∼0.18 {M}ȯ ). These results indicate that SN 2011hr may arise from a Chandrasekhar-mass white dwarf progenitor that experienced a more efficient burning process in the explosion. Nevertheless, it is still possible that SN 2011hr may serve as a transitional object connecting the SN 1991T-like SNe Ia with a superluminous subclass like SN 2007if given that the latter also shows very weak IMEs at all phases.

  13. Investigation of the Phase Equilibria of Sn-Cu-Au Ternary and Ag-Sn-Cu-Au Quaternary Systems and Interfacial Reactions in Sn-Cu/Au Couples

    NASA Astrophysics Data System (ADS)

    Yen, Yee-Wen; Jao, Chien-Chung; Hsiao, Hsien-Ming; Lin, Chung-Yung; Lee, Chiapyng

    2007-02-01

    The phase equilibria of the Sn-Cu-Au ternary, Ag-Sn-Cu-Au quaternary systems and interfacial reactions between Sn-Cu alloys and Au were experimentally investigated at specific temperatures in this study. The experimental results indicated that there existed three ternary intermetallic compounds (IMCs) and a complete solid solubility between AuSn and Cu6Sn5 phases in the Sn-Cu-Au ternary system at 200°C. No quaternary IMC was found in the isoplethal section of the Ag-Sn-Cu-Au quaternary system. Three IMCs, AuSn, AuSn2, and AuSn4, were found in all couples. The same three IMCs and (Au,Cu)Sn/(Cu,Au)6Sn5 phases were found in all Sn-Cu/Au couples. The thickness of these reaction layers increased with increasing temperature and time. The mechanism of IMC growth can be described by using the parabolic law. In addition, when the reaction time was extended and the Cu content of the alloy was increased, the AuSn4 phase disappeared gradually. The (Au, Cu)Sn and (Cu,Au)6Sn5 layers played roles as diffusion barriers against Sn in Sn-Cu/Au reaction couple systems.

  14. Ge/graded-SiGe multiplication layers for low-voltage and low-noise Ge avalanche photodiodes on Si

    NASA Astrophysics Data System (ADS)

    Miyasaka, Yuji; Hiraki, Tatsurou; Okazaki, Kota; Takeda, Kotaro; Tsuchizawa, Tai; Yamada, Koji; Wada, Kazumi; Ishikawa, Yasuhiko

    2016-04-01

    A new structure is examined for low-voltage and low-noise Ge-based avalanche photodiodes (APDs) on Si, where a Ge/graded-SiGe heterostructure is used as the multiplication layer of a separate-absorption-carrier-multiplication structure. The Ge/SiGe heterojunction multiplication layer is theoretically shown to be useful for preferentially enhancing impact ionization for photogenerated holes injected from the Ge optical-absorption layer via the graded SiGe, reflecting the valence band discontinuity at the Ge/SiGe interface. This property is effective not only for the reduction of operation voltage/electric field strength in Ge-based APDs but also for the reduction of excess noise resulting from the ratio of the ionization coefficients between electrons and holes being far from unity. Such Ge/graded-SiGe heterostructures are successfully fabricated by ultrahigh-vacuum chemical vapor deposition. Preliminary pin diodes having a Ge/graded-SiGe multiplication layer act reasonably as photodetectors, showing a multiplication gain larger than those for diodes without the Ge/SiGe heterojunction.

  15. Constraints on magnetic field strength in the remnant SN 1006 from its non-thermal images

    NASA Astrophysics Data System (ADS)

    Petruk, O.; Kuzyo, T.; Bocchino, F.

    2012-01-01

    Images of SN 1006 have a number of important properties. For instance, the bright limbs coincide spatially in various bands, they have different brightnesses, and the contrast of brightness varies from radio to gamma rays. The reasons for such properties and the role of the magnetic field strength are discussed. Simple, almost model-independent methods and analytical approximations for the derivation of the strength of the magnetic field from the comparison of radio, X-ray and TeV images of the supernova remnant are presented. The methods require the TeV image to be well resolved and accurate, at least to the level of the radio and X-ray maps, so that reasonable constraints can be placed on the magnetic field. If we apply the methods to the present HESS data, they limit the strength of the magnetic field in the limbs of SN 1006 to values lower than a few hundred micro-gauss. If applied to the Fermi-LAT band, the model predicts the same position and same ratio of the surface brightness for GeV photons as for the radio band. We conclude that future TeV and GeV high-resolution data may prove to be very informative about the magnetic field of SN 1006.

  16. Forward physics in CMS: Simulation of PMT hits in HF and Higgs mass reconstruction methods with a focus on forward jet tagging

    NASA Astrophysics Data System (ADS)

    Moeller, Anthony Richard

    Abnormally high energy events were seen in the Hadronic Forward (HF) calorimeter for pion and muon data during testbeam in 2004. Analysis of testbeam data suggested that such events were caused by particles traveling the entire length of HF and striking the photomultiplier (PMT) windows in the readout box behind HF. Charged particles traversing the window of the PMT emit cerenkov radiation, which creates abnormally high energy events in the data. To further study these events, a modification of the existing official CMS HF simulation was created that added the PMT windows to the simulation as sensitive detectors. In agreement with testbeam data, abnormally high energy events in the PMTs were seen in the simulation for muons and pions. The simulation was then extended to jets simulated with Pythia, and then for collision like events as well. PMT hits were seen in both of these cases. Energy sharing between PMTs for long and short fibers in HF as well as timing differences between normal HF events and PMT events were investigated as methods to tag such abnormal events. While both methods were somewhat successful, it was determined that they were not sufficient. The simulation was also modified to use thinner PMT windows. Reducing the thickness of the window reduced the number of PMT hits, and drastically reduced the energy of these hits, bringing most of them below standard jet energy thresholds. These results led to the replacement of the existing PMTs with new PMTs with a smaller, thinner window. Higgs mass reconstruction methods were applied to Monte Carlo datasets for 115 and 130 GeV Higgs produced through vector boson fusion. In these datasets, the Higgs boson decayed to two tau particles, each of which decayed leptonically. The mass reconstruction methods successfully created a peak at the proper mass for both datasets. In addition to creating a Higgs, the vector boson fusion signal also has two forward jets. These jets are not found in the signal of the

  17. Effect of HF leaching on 14C dates of pottery

    NASA Astrophysics Data System (ADS)

    Goslar, Tomasz; Kozłowski, Janusz; Szmyt, Marzena; Czernik, Justyna

    2013-01-01

    This paper presents the experiments with 14C dating of two potsherds, which contained carbon dispersed rather homogeneously in their clay fabric. After AAA treatment, the potsherds still appeared to be contaminated with young carbon, presumably connected with humic acids. To make removal of humic acids more effective, we treated the sherds with HF acid of different concentration. The 14C results obtained demonstrate that HF treatment indeed helps to remove humic contaminants, but it also mobilizes carbon bound to raw clay, which may make 14C dates too old. We conclude therefore, that using a simple combination of HF and AAA treatment seems insufficient in reliable 14C dating of carbon homogeneously dispersed in the volume of potsherds.

  18. Feature Modeling of HfO2 Atomic Layer Deposition Using HfCl4/H2O

    NASA Astrophysics Data System (ADS)

    Stout, Phillip J.; Adams, Vance; Ventzek, Peter L. G.

    2003-03-01

    A Monte Carlo based feature scale model (Papaya) has been applied to atomic layer deposition (ALD) of HfO2 using HfCl_4/H_20. The model includes physical effects of transport to surface, specular and diffusive reflection within feature, adsorption, surface diffusion, deposition and etching. Discussed will be the 3D feature modeling of HfO2 deposition in assorted features (vias and trenches). The effect of feature aspect ratios, pulse times, cycle number, and temperature on film thickness, feature coverage, and film Cl fraction (surface/bulk) will be discussed. Differences between HfO2 ALD on blanket wafers and in features will be highlighted. For instance, the minimum pulse times sufficient for surface reaction saturation on blanket wafers needs to be increased when depositing on features. Also, HCl products created during the HfCl4 and H_20 pulses are more likely to react within a feature than at the field, reducing OH coverage within the feature (vs blanket wafer) thus limiting the maximum coverage attainable for a pulse over a feature.

  19. Updated Physical Parameters of SN 2012cg

    NASA Astrophysics Data System (ADS)

    Marion, G. H.; Challis, P.; Hicken, M.; Mandel, K.; Meyer, S.; Kirshner, R. P.; Foley, R. J.; Friedman, A.; Irwin, J.; Wood-Vasey, W. M.; Wheeler, J. C.; Vinko, J.; Rines, K.; Wilhelmy, S.; Macri, L.

    2012-06-01

    The Harvard-Smithsonian Center for Astrophysics Supernova Group reports photometric and spectroscopic observations of SN 2012cg (ATEL #4115, #4159). We find that SN 2012cg has a slow decline rate and low expansion velocities. BayeSN fits to the data show that SN 2012cg has significant dust extinction (A_v ~ 0.67 mag). We find R_v = 2.7 +/- 0.5, which is consistent with the Milky Way value of 3.1 and mildly inconsistent with the extremely low values reported for some highly reddened SN (e.g., R_v = 1.59 +/- 0.07 for SN 2002cv; Elias-Rosa et al.

  20. Direct bandgap cross-over point of Ge1-ySny grown on Si estimated through temperature-dependent photoluminescence studies

    NASA Astrophysics Data System (ADS)

    Harris, Thomas R.; Ryu, Mee-Yi; Yeo, Yung Kee; Wang, Buguo; Senaratne, C. L.; Kouvetakis, John

    2016-08-01

    Epitaxial Ge1-ySny (y = 0%-7.5%) alloys grown on either Si or Ge-buffered Si substrates by chemical vapor deposition were studied as a function of Sn content using temperature-dependent photoluminescence (PL). PL emission peaks from both the direct bandgap (Γ-valley) and the indirect bandgap (L-valley) to the valence band (denoted by ED and EID, respectively) were clearly observed at 125 and 175 K for most Ge1-ySny samples studied. At 300 K, however, all of the samples exhibited dominant ED emission with either very weak or no measureable EID emission. At 10 K, ED is dominant only for Ge1-ySny with y > 0.052. From the PL spectra taken at 125 and 175 K, the unstrained indirect and direct bandgap energies were calculated and are plotted as a function of Sn concentration, the results of which show that the indirect-to-direct bandgap transition occurs at ˜6.7% Sn. It is believed that the true indirect-to-direct bandgap cross-over of unstrained Ge1-ySny might also take place at about the same Sn content at room temperature. This observation suggests that these Ge1-ySny alloys could become very promising direct bandgap semiconductor materials, which will be very useful for the development of various new novel Si- and Ge-based infrared optoelectronic devices that can be fully integrated with current technology on a single Si chip.

  1. Importance of the Lu-Hf isotopic system in studies of planetary chronology and chemical evolution

    USGS Publications Warehouse

    Patchett, P.J.

    1983-01-01

    The 176Lu-176Hf isotope method and its applications in earth sciences are discussed. Greater fractionation of Lu/Hf than Sm/Nd in planetary magmatic processes makes 176Hf 177Hf a powerful geochemical tracer. In general, proportional variations of 176Hf 177Hf exceed those of 143Nd l44Nd by factors of 1.5-3 in terrestrial and lunar materials. Lu-Hf studies therefore have a major contribution to make in understanding of terrestrial and other planetary evolution through time, and this is the principal importance of Lu-Hf. New data on basalts from oceanic islands show unequivocally that whereas considerable divergences occur in 176Hf 177Hf- 87Sr 86Sr and 143Nd l44Nd- 87Sr 86Sr diagrams, 176Hf 177Hf and 143Nd 144Nd display a single, linear isotopic variation in the suboceanic mantle. These discordant 87Sr 86Sr relationships may allow, with the acquisition of further Hf-Nd-Sr isotopic data, a distinction between processes such as mantle metasomatism, influence of seawater-altered material in the magma source, or recycling of sediments into the mantle. In order to evaluate the Hf-Nd isotopic correlation in terms of mantle fractionation history, there is a need for measurements of Hf distribution coefficients between silicate minerals and liquids, and specifically for a knowledge of Hf behavior in relation to rareearth elements. For studying ancient terrestrial Hf isotopic variations, the best quality Hf isotope data are obtained from granitoid rocks or zircons. New data show that very U-Pb discordant zircons may have upwardly-biased 176Hf 177Hf, but that at least concordant to slightly discordant zircons appear to be reliable carriers of initial 176Hf 177Hf. Until the controls on addition of radiogenic Hf to zircon are understood, combined zircon-whole rock studies are recommended. Lu-Hf has been demonstrated as a viable tool for dating of ancient terrestrial and extraterrestrial samples, but because it offers little advantage over existing methods, is unlikely to find

  2. SN1987A's Twentieth Anniversary

    NASA Astrophysics Data System (ADS)

    2007-02-01

    Looking back at 20 Years of Observations of this Supernova with ESO telescopes The unique supernova SN 1987A has been a bonanza for astrophysicists. It provided several observational 'firsts,' like the detection of neutrinos from an exploding star, the observation of the progenitor star on archival photographic plates, the signatures of a non-spherical explosion, the direct observation of the radioactive elements produced during the blast, observation of the formation of dust in the supernova, as well as the detection of circumstellar and interstellar material. ESO PR Photo 08a/07 ESO PR Photo 08a/07 SN1987A in the Large Magellanic Cloud Today, it is exactly twenty years since the explosion of Supernova 1987A in the Large Magellanic Cloud was first observed, at a distance of 163,000 light-years. It was the first naked-eye supernova to be seen for 383 years. Few events in modern astronomy have met with such an enthusiastic response by the scientists and now, after 20 years, it continues to be an extremely exciting object that is further studied by astronomers around the world, in particular using ESO's telescopes. When the first signs of Supernova 1987A, the first supernova of the year 1987, were noticed early on 24 February of that year, it was clear that this would be an unusual event. It was discovered by naked-eye and on a panoramic photographic plate taken with a 10-inch astrograph on Las Campanas in Chile by Oscar Duhalde and Ian Shelton, respectively. A few hours earlier, still on 23 February, two large underground detectors - in Japan and the USA - had registered the passage of high-energy neutrinos. Since SN 1987A exploded in the Large Magellanic Cloud (LMC), it was only accessible to telescopes in the Southern Hemisphere, more particularly in Australia, South Africa, and South America. In Chile, ESO's observatory at La Silla with its armada of telescopes with sizes between 0.5 and 3.6-m, played an important role. ESO PR Photo 08c/07 ESO PR Photo 08c/07 The

  3. Hydrogen sensing under ambient conditions using SnO₂ nanowires: synergetic effect of Pd/Sn codeposition.

    PubMed

    Jeong, Seung Ho; Kim, Sol; Cha, Junho; Son, Min Soo; Park, Sang Han; Kim, Ha-Yeong; Cho, Man Ho; Whangbo, Myung-Hwan; Yoo, Kyung-Hwa; Kim, Sung-Jin

    2013-01-01

    Semiconducting SnO2 nanowires deposited with Pd and Sn nanoparticles on their surface are shown to be a highly sensitive hydrogen sensor with fast response time at room temperature. Compared with the SnO2 nanowire deposited with Pd or Sn nanoparticles alone, the Pd/Sn-deposited SnO2 nanowire exhibits a significant improvement in the sensitivity and reversibility of sensing hydrogen gas in the air at room temperature. Our investigation indicates that two factors are responsible for the synergistic effect of Pd/Sn codeposition on SnO2 nanowires. One is that in the presence of Pd the oxidation of Sn nanoparticles on the surface of the SnO2 nanowire is incomplete leading only to suboxides SnOx (1 ≤ x < 2), and the other is that the surface of the Pd/Sn-deposited SnO2 nanowire is almost perfectly hydrophobic. PMID:24224874

  4. Asiago spectroscopic classification of SN 2016eob

    NASA Astrophysics Data System (ADS)

    Ochner, P.; Tomasella, G. Terreran L.; Pastorello, A.; Benetti, S.; Cappellaro, E.; Elias-Rosa, N.; Turatto, M.; Yang, S.

    2016-08-01

    The Asiago Transient Classification Program (Tomasella et al. 2014, AN, 335, 841) reports the spectroscopic classification of SN 2016eob. The transient was discovered by Leonini et al. 2016, TNS Astronomical Transient Report No. 3994, Italian Supernovae Search Project (ISSP), on UT 2016-08-03.11 in the galaxy UGC00005 (2 other supernovae exploded in this host: SN 2000da, SN 2003lq).

  5. Field operations with cesium clocks in HF navigation systems

    NASA Technical Reports Server (NTRS)

    Christy, E. H.; Clayton, D. A.

    1982-01-01

    Networks of HF phase comparison marine navigation stations employing cesium clocks are discussed. The largest permanent network is in the Gulf of Mexico where some fourteen base stations are continuously active and others are activated as needed. These HF phase comparison systems, which operate on a single transmission path, require a clock on the mobile unit as well. Inventory consists of upwards of 70 clocks from two different manufacturers. The maintenance of this network as an operating system requires a coordinated effort involving clock preparation, clock environment control, station performance monitoring and field service.

  6. European coordination for coastal HF radar data in EMODnet Physics

    NASA Astrophysics Data System (ADS)

    Mader, Julien; Novellino, Antonio; Gorringe, Patrick; Griffa, Annalisa; Schulz-Stellenfleth, Johannes; Montero, Pedro; Montovani, Carlo; Ayensa, Garbi; Vila, Begoña; Rubio, Anna; Sagarminaga, Yolanda

    2015-04-01

    Historically, joint effort has been put on observing open ocean, organizing, homogenizing, sharing and reinforcing the impact of the acquired information based on one technology: ARGO with profilers Argo floats, EuroSites, ESONET-NoE, FixO3 for deep water platforms, Ferrybox for stations in ships of opportunities, and GROOM for the more recent gliders. This kind of networking creates synergies and makes easier the implementation of this source of data in the European Data exchange services like EMODnet, ROOSs portals, or any applied services in the Blue economy. One main targeted improvement in the second phase of EMODnet projects is the assembling of data along coastline. In that sense, further coordination is recommended between platform operators around a specific technology in order to make easier the implementation of the data in the platforms (4th EuroGOOS DATAMEQ WG). HF radar is today recognized internationally as a cost-effective solution to provide high spatial and temporal resolution current maps (depending on the instrument operation frequency, covering from a few kilometres offshore up to 200 km) that are needed for many applications for issues related to ocean surface drift or sea state characterization. Significant heterogeneity still exists in Europe concerning technological configurations, data processing, quality standards and data availability. This makes more difficult the development of a significant network for achieving the needed accessibility to HF Radar data for a pan European use. EuroGOOS took the initiative to lead and coordinate activities within the various observation platforms by establishing a number of Ocean Observing Task Teams such as HF-Radars. The purpose is to coordinate and join the technological, scientific and operational HF radar communities at European level. The goal of the group is on the harmonization of systems requirements, systems design, data quality, improvement and proof of the readiness and standardization of

  7. Concerted hydrogen atom exchange between three HF molecules

    NASA Technical Reports Server (NTRS)

    Komornicki, Andrew; Dixon, David A.; Taylor, Peter R.

    1992-01-01

    The termolecular reaction involving concerted hydrogen-atom exchange between three HF molecules was investigated with particular attention given to the effects of correlation at the various stationary points along the reaction. Using large segmented Gaussian basis sets to locate the (HF)3 stationary points at the SCF level, the geometries of the stable hydrogen-bonded trimer, which is of C(3h) symmetry, were located, together with the transition state for hydrogen exchange, which is of D(3h) symmetry. Then, using a large atomic natural orbital basis and correlating all valence electrons, the energetics of the exchange reaction were evaluated at the correlated level.

  8. Ca + HF - The anatomy of a chemical insertion reaction

    NASA Technical Reports Server (NTRS)

    Jaffe, R. L.; Pattengill, M. D.; Mascarello, F. G.; Zare, R. N.

    1987-01-01

    A comprehensive first-principles theoretical investigation of the gas phase reaction Ca + HF - CaF + H is reported. Ab initio potential energy calculations are first discussed, along with characteristics of the computed potential energy surface. Next, the fitting of the computed potential energy points to a suitable analytical functional form is described, and maps of the fitted potential surface are displayed. The methodology and results of a classical trajectory calculation utilizing the fitted potential surface are presented. Finally, the significance of the trajectory study results is discussed, and generalizations concerning dynamical aspects of Ca + HF scattering are drawn.

  9. Direct preparation of Cu2ZnSnSe4 films by microwave irradiation and its dependence on the Sn/(Sn + Zn) ratio

    NASA Astrophysics Data System (ADS)

    Kaigawa, Ryuji; Hashimoto, Shintaro; Irago, Tomoki; Klenk, Reiner

    2015-08-01

    Cu2ZnSnSe4 (CZTSe) films with various Sn/(Sn + Zn) ratios were directly prepared on metallic Ti foils by microwave irradiation and their properties were investigated. The Sn/(Sn + Zn) ratio and Cu/(Sn + Zn) ratio of the precursor could be preserved by using a sealed container filled with 0.15 atm of Ar. Single-phase CZTSe crystals with a kesterite (stannite) structure and without by-products were observed with Sn/(Sn + Zn) ratios between 0.4 and 0.6. The hole densities of the Cu-Zn-Sn-Se films are minimal (<1017/cm3) with Sn/(Sn + Zn) ratios ranging from 0.5 to 0.6.

  10. SN 1987A Transforms into SN Remnant 1987A

    NASA Astrophysics Data System (ADS)

    Crotts, Arlin; Heathcote, Stephen; Lawrence, Stephen

    2014-08-01

    The ejecta and circumstellar ring of SN 1987A are colliding violently. Over several years, we have seen radical changes in the circumstellar nebula as it is overrun by high-speed ejecta, giving birth to a supernova remnant (SNR). We have already discovered (and published), via this observational program, new interactions between ejecta and nebula, as several hot spots appearing every year, and see now the whole innermost nebula interacting. This means that observations, especially spectroscopy, of SNR 1987A have entered a new phase in which ground-based observations can reveal the collective behavior of the SNR, especially when combined with HST data. The collision is predicted (and observed) to produce intense IR/optical emission, in new and previously-observed lines. Depending on whether these arise in the ejecta or nebula, and whether shock or EUV-excited, they have linewidths ~10 to 15,000 km/s; frequent moderate- dispersion spectra are required. With the interaction region now enveloping the inner ring, ionizing radiation has started flooding the entire structure. SOAR/Goodman is ideal for this, covering velocity scales, wavelengths and time intervals unavailable to HST, allowing the first ever study of the creation of a nearby SNR. In particular we need timely, good-seeing Goodman spectra of the reverse shock of SN 1987A's circumstellar/ejecta interaction this semester to combine with our scheduled HST/STIS spectra and WFC3 images (in August 2014) and thereby measure of the compositon of deep layers in the SN progenitor star by studying ionic species measurements not seen by HST data alone.

  11. Radio Observations of SN 2006jc

    NASA Astrophysics Data System (ADS)

    Soderberg, Alicia

    2006-10-01

    "I observed the Type Ib SN 2006jc (CBET 666) with the Very Large Array on Oct 14.7 and Oct 15.7 UT as part of an ongoing program to study the radio properties of Type Ibc supernovae. SN 2006jc is not detected at 4.9, 8.5 or 22.5 GHz. At a distance of 24 Mpc, the radio luminosity of SN 2006jc is at least a factor of 100 lower than that of SN 1998bw at a similar epoch (Kulkarni et al., 1998, Nature, 395, 663).

  12. Crystallographic and optical properties of Cu2Zn(Sn1-xGex)Se4 solid solution

    NASA Astrophysics Data System (ADS)

    Morihama, Masaru; Gao, Feng; Maeda, Tsuyoshi; Wada, Takahiro

    2014-01-01

    Cu2Zn(Sn1-xGex)Se4 (CZTGSe) solid solution powders with x = 0.0-1.0 were synthesized by mixing the elemental powders and heating at 600 °C for 5 h in an N2 gas atmosphere. Crystal structures of all CZTGSe samples were analyzed by Rietveld analysis of X-ray diffraction data on the basis of the tetragonal kesterite structure. Rietveld analysis showed that the lattice parameters, a and c, linearly decreased with increasing Ge content. The band gap energies of the CZTGSe solid solutions were determined by diffuse-reflectance spectra. The band gap energy (Eg) linearly increased from 0.99 eV for Cu2ZnSnSe4 (CZTSe) (x = 0.0) to 1.35 eV for Cu2ZnGeSe4 (CZGSe) (x = 1.0) by increased Ge content. We fabricated Cu2Zn(Sn,Ge)Se4 films by a screen printing and high-pressure sintering (PHS) process. The CZTGSe films were post-annealed at 550 °C for 10 min under H2S gas atmosphere. The Cu2Zn(Sn1-xGex)(S,Se)4 (CZTGSSe) solar cells with the device structure of Ag/ITO/i-ZnO/CdS/CZTGSSe/Mo/soda-lime glass showed an efficiency of 2.68%, with a Voc of 268 mV, a Jsc of 22.1 mA/cm2, and an FF of 45.2%.

  13. Comprehensive study and design of scaled metal/high-k/Ge gate stacks with ultrathin aluminum oxide interlayers

    SciTech Connect

    Asahara, Ryohei; Hideshima, Iori; Oka, Hiroshi; Minoura, Yuya; Hosoi, Takuji Shimura, Takayoshi; Watanabe, Heiji; Ogawa, Shingo; Yoshigoe, Akitaka; Teraoka, Yuden

    2015-06-08

    Advanced metal/high-k/Ge gate stacks with a sub-nm equivalent oxide thickness (EOT) and improved interface properties were demonstrated by controlling interface reactions using ultrathin aluminum oxide (AlO{sub x}) interlayers. A step-by-step in situ procedure by deposition of AlO{sub x} and hafnium oxide (HfO{sub x}) layers on Ge and subsequent plasma oxidation was conducted to fabricate Pt/HfO{sub 2}/AlO{sub x}/GeO{sub x}/Ge stacked structures. Comprehensive study by means of physical and electrical characterizations revealed distinct impacts of AlO{sub x} interlayers, plasma oxidation, and metal electrodes serving as capping layers on EOT scaling, improved interface quality, and thermal stability of the stacks. Aggressive EOT scaling down to 0.56 nm and very low interface state density of 2.4 × 10{sup 11 }cm{sup −2}eV{sup −1} with a sub-nm EOT and sufficient thermal stability were achieved by systematic process optimization.

  14. A routine high-precision method for Lu-Hf isotope geochemistry and chronology

    USGS Publications Warehouse

    Patchett, P.J.; Tatsumoto, M.

    1981-01-01

    A method for chemical separation of Lu and Hf from rock, meteorite and mineral samples is described, together with a much improved mass spectrometric running technique for Hf. This allows (i) geo- and cosmochronology using the176Lu???176Hf+??- decay scheme, and (ii) geochemical studies of planetary processes in the earth and moon. Chemical yields for the three-stage ion-exchange column procedure average 90% for Hf. Chemical blanks are <0.2 ng for Lu and Hf. From 1 ??g of Hf, a total ion current of 0.5??10-11 Ampere can be maintained for 3-5 h, yielding 0.01-0.03% precision on the ratio176Hf/177Hf. Normalisation to179Hf/177Hf=0.7325 is used. Extensive results for the Johnson Matthey Hf standard JMC 475 are presented, and this sample is urged as an international mass spectrometric standard; suitable aliquots, prepared from a single batch of JMC 475, are available from Denver. Lu-Hf analyses of the standard rocks BCR-1 and JB-1 are given. The potential of the Lu-Hf method in isotope geochemistry is assessed. ?? 1980 Springer-Verlag.

  15. Infrared overtone spectroscopy of hydrogen fluoride van der Waals complexes at upsilon (HF) = 3

    NASA Astrophysics Data System (ADS)

    Tsang, Susy Ngan Ping

    1998-11-01

    The dependence of weak intermolecular forces on valence bond excitations is investigated by the spectroscopy and vibrational predissociation dynamics of four hydrogen fluoride van der Waals complexes, N2HF, (HF)2, Ar2HF and Ar3HF, at the second overtone vibrational excitation of the hydrogen bonded HF intramolecular stretch, v HF=3. The formation and detection of these weakly bound complexes are achieved by the unique combination of slit supersonic jet expansion and intracavity Ti:sapphire laser-induced fluorescence. For the four complexes studied, an increase in the red- shift as a function of v HF was observed in the hydrogen bonded HF valence stretch as a result of the strengthening of the hydrogen bond. In addition, changes in the anisotropies of the intermolecular potentials of these weakly bound systems are in accord with those observed in the prototypical studies of ArHF at v HF=3 in this laboratory. However, the van der Waals soft modes have only been completely characterized for N2HF at v HF=3. Moreover, the frequencies of these intermolecular modes were experimentally determined for the first time in the N2HF complex. Of major interest in the N2HF studies is the intermolecular state dependence of the vibrational predissociation in this complex at v HF=3. Intermolecular state dependent vibrational predissociation dynamics is also observed in the (HF)2 studies. In order to further understand the complex internal dynamics in N2HF, ab initio calculations for a highly accurate four-dimensional potential energy surface using the symmetry adapted perturbation theory (SAPT) method were performed at v HF=0 and at v HF=3. A preliminary analysis of the ab initio data for both vibrational states and bound state calculations for the ground state potential energy surface are presented. The work on the Ar2HF and Ar3HF clusters tests the accuracy of pairwise additive intermolecular potentials for these two systems at v HF=3. In particular, the data obtained on these

  16. Kinetic study of GeO disproportionation into a GeO{sub 2}/Ge system using x-ray photoelectron spectroscopy

    SciTech Connect

    Wang Shengkai; Liu Honggang; Toriumi, Akira

    2012-08-06

    GeO disproportionation into GeO{sub 2} and Ge is studied through x-ray photoelectron spectroscopy. Direct evidence for the reaction 2GeO {yields} GeO{sub 2} + Ge after annealing in ultra-high vacuum is presented. Activation energy for GeO disproportionation is found to be about 0.7 {+-} 0.2 eV through kinetic and thermodynamic calculations. A kinetic model of GeO disproportionation is established by considering oxygen transfer in the GeO network. The relationship between GeO disproportionation and GeO desorption induced by GeO{sub 2}/Ge interfacial reaction is discussed, and the apparent contradiction between GeO desorption via interfacial redox reaction and GeO disproportionation into Ge and GeO{sub 2} is explained by considering the oxygen vacancy.

  17. Photon scattering experiments off 176Hf and the systematics of low-lying dipole modes in the stable even-even Hf isotopes 176,178,180Hf

    NASA Astrophysics Data System (ADS)

    Scheck, M.; Belic, D.; von Brentano, P.; Carroll, J. J.; Fransen, C.; Gade, A.; von Garrel, H.; Kneissl, U.; Kohstall, C.; Linnemann, A.; Pietralla, N.; Pitz, H. H.; Stedile, F.; Toman, R.; Werner, V.

    2003-06-01

    The low-lying dipole strength distribution in the rare isotope 176Hf was studied in nuclear resonance fluorescence experiments performed at the Stuttgart Dynamitron facility using bremsstrahlung beams with end- point energies of 4.1 and 2.4 MeV. In total, about 55 excited spin-1 states, unknown so far, were observed in the excitation energy range up to 4 MeV. Detailed spectroscopic information has been obtained on excitation energies, spins, decay widths, decay branchings, and transition probabilities. Ascribing a positive parity to all observed K=1 states, the detected total B(M1)↑ strength in the energy range of the scissors mode amounts to 2.56(6) μ2N, nearly as much as for well-deformed midshell rare-earth nuclei. The total strength is higher than in the heavier Hf isotopes 178,180Hf, but fits well into the systematics. The observed low-lying ΔK=0 transitions (with probable E1 character) lie in the energy range around 2 MeV, as expected from the systematics. The excitation probabilities correspond to values which are characteristic for nuclei in the transitional region from deformed rotors to more γ-soft nuclei.

  18. Orientation epitaxy of Ge1–xSnx films grown on single crystal CaF2 substrates

    DOE PAGES

    A. J. Littlejohn; Zhang, L. H.; Lu, T. -M.; Kisslinger, K.; and Wang, G. -C.

    2016-03-15

    Ge1–xSnx films were grown via physical vapor deposition below the crystallization temperature of Ge on single crystal (111) and (100) CaF2 substrates to assess the role of Sn alloying in Ge crystallization. By studying samples grown at several growth temperatures ranging from 250 °C to 400 °C we report temperature-dependent trends in several of the films' properties. X-ray diffraction theta vs. two-theta (θ/2θ) scans indicate single orientation Ge1–xSnx(111) films are grown on CaF2(111) substrates at each temperature, while a temperature-dependent superposition of (111) and (100) orientations are exhibited in films grown on CaF2(100) above 250 °C. This is the firstmore » report of (111) oriented Ge1–xSnx grown on a (100) oriented CaF2 substrate, which is successfully predicted by a superlattice area matching model. These results are confirmed by X-ray diffraction pole figure analysis. θ/2θ results indicate substitutional Sn alloying in each film of about 5%, corroborated by energy dispersive spectroscopy. In addition, morphological and electrical properties are measured by scanning electron microscopy, atomic force microscopy and Hall mobility measurements and are also shown to be dependent upon growth temperature.« less

  19. High-resolution photoluminescence spectroscopy of Sn-doped ZnO single crystals

    SciTech Connect

    Kumar, E. Senthil; Mohammadbeigi, F.; Boatner, Lynn A.; Watkins, S. P.

    2016-01-01

    Here, Group IV donors in ZnO are poorly understood, despite evidence that they are effective n-dopants. We present high-resolution photoluminescence spectroscopy studies of unintentionally doped and Sn doped ZnO single crystals grown by the chemical vapor transport method. Doped samples showed greatly increased emission from the I10 bound exciton transition which was recently proven to be related to the incorporation of Sn impurities based on radio-isotope studies. PL linewidths are exceptionally sharp for these samples, enabling clear identification of several donor species. Temperature dependent PL measurements of the I10 line emission energy and intensity dependence reveal a behavior similar to other shallow donors in ZnO. Ionized donor bound exciton and two electron satellite transitions of the I10 transition are unambiguously identified and yield a donor binding energy of 71 meV. In contrast to recent reports of Ge-related donors in ZnO, the spectroscopic binding energy for the Sn-related donor bound exciton follows a linear relationship with donor binding energy (Haynes rule), confirming the shallow nature of this defect center, which we attribute to a SnZn double donor compensated by an unknown single acceptor.

  20. High-resolution photoluminescence spectroscopy of Sn-doped ZnO single crystals

    DOE PAGES

    Kumar, E. Senthil; Mohammadbeigi, F.; Boatner, Lynn A.; Watkins, S. P.

    2016-01-01

    Here, Group IV donors in ZnO are poorly understood, despite evidence that they are effective n-dopants. We present high-resolution photoluminescence spectroscopy studies of unintentionally doped and Sn doped ZnO single crystals grown by the chemical vapor transport method. Doped samples showed greatly increased emission from the I10 bound exciton transition which was recently proven to be related to the incorporation of Sn impurities based on radio-isotope studies. PL linewidths are exceptionally sharp for these samples, enabling clear identification of several donor species. Temperature dependent PL measurements of the I10 line emission energy and intensity dependence reveal a behavior similar tomore » other shallow donors in ZnO. Ionized donor bound exciton and two electron satellite transitions of the I10 transition are unambiguously identified and yield a donor binding energy of 71 meV. In contrast to recent reports of Ge-related donors in ZnO, the spectroscopic binding energy for the Sn-related donor bound exciton follows a linear relationship with donor binding energy (Haynes rule), confirming the shallow nature of this defect center, which we attribute to a SnZn double donor compensated by an unknown single acceptor.« less

  1. Processing and crystallographic structure of non-equilibrium Si-doped HfO{sub 2}

    SciTech Connect

    Hou, Dong; Fancher, Chris M.; Esteves, Giovanni; Jones, Jacob L.; Zhao, Lili

    2015-06-28

    Si-doped HfO{sub 2} was confirmed to exist as a non-equilibrium state. The crystallographic structures of Si-doped HfO{sub 2} were studied using high-resolution synchrotron X-ray diffraction and the Rietveld refinement method. Incorporation of Si into HfO{sub 2} and diffusion of Si out of (Hf,Si)O{sub 2} were determined as a function of calcination temperature. Higher thermal energy input at elevated calcination temperatures resulted in the formation of HfSiO{sub 4}, which is the expected major secondary phase in Si-doped HfO{sub 2}. The effect of SiO{sub 2} particle size (nano- and micron-sized) on the formation of Si-doped HfO{sub 2} was also determined. Nano-crystalline SiO{sub 2} was found to incorporate into HfO{sub 2} more readily.

  2. Composition effects on mechanical properties of HfC-strengthened molybdenum alloys

    NASA Technical Reports Server (NTRS)

    Witzke, W. R.

    1976-01-01

    The mechanical properties of swaged rod thermomechanically processed from arc-melted Mo-2Re-Hf-C alloys containing as much as 0.9 mol pct HfC have been evaluated. The low temperature ductilities of these alloys were not influenced by the amount of HfC present but by the amount of Hf in excess of stoichiometry. Maximum ductility occurred at 0.2 to 0.3 at. pct excess Hf. At 0.3 to 0.5 mol pct HfC, alloy strength varied directly with the Mo content of extracted carbide particles, both decreasing as the amount of excess Hf increased. Additions of 2 at. pct Re had little effect on strength or ductility. Tensile and creep strengths of Mo-2Re-0.7Hf-0.5C alloy equaled or exceeded those of other high strength Mo alloys.

  3. Exploring space plasmas - The WISP/HF experiment

    SciTech Connect

    James, H.G.; Darlington, T.R.; Hersom, C.H.; Gruno, R.S.; Gore, J.V.

    1987-02-01

    WISP/HF is the high-frequency part of the collaborative U.S.-Canada investigation, Waves in Space Plasmas. Instrumentation is being developed that will be flown on NASA's Space Shuttle starting with the Space Plasma Lab missions in the 1990s. Using a high-inclination orbit at heights near the maximum density of the ionospheric F region, active experiments will be carried out on antennas, electromagnetic and electrostatic wave propagation, problems in linear and nonlinear plasma physics, large-scale ionospheric structures, ionospheric irregularities, and the interaction of charged-particle beams with the ionospheric plasma. The WISP/HF equipment will generate, receive, and process signals in the 0.1-to 30-MHz range. The Orbiter-based transmitter will have variable pulse-power levels up to 0.5 kW and will use a dipole of variable length up to 300 m tip-to-tip. WISP/HF receivers will be located both on the Orbiter and on a subsatellite. A high level of operational flexibility in the WISP/HF instrument design has been achieved through programmable digital control. The design also permits human control of experiments, both from the Orbiter and from the ground.

  4. Single source noise reduction of received HF audio: experimental study

    NASA Astrophysics Data System (ADS)

    Campbell, Eric C.; Alva, Carlos O.

    2014-05-01

    This paper visits the application of single-source noise reduction on received audio over a HF channel. The noise reduction algorithm is typically used in vocoder noise processing at the transmitter before encoding. This study presents the results of the algorithm effects by objectively measuring audio quality through the use of industry standard PESQ analysis.

  5. A Coupled Ionosphere-Raytrace Model for Artificial HF Heating

    NASA Astrophysics Data System (ADS)

    Zawdie, K.; Huba, J. D.; Drob, D. P.; Bernhardt, P. A.

    2015-12-01

    The first self-consistent 3D model of artificial HF ionospheric heating has been developed. The model combines the first principles ionosphere model SAMI3/ESF and the ray trace code MoJo-15. The location of HF heating is calculated by simulating the ray path through the ionosphere and determining the average heating location. This new model has been used to successfully simulate the snapback effect discovered in a Arecibo HF heating experiment described by Bernhardt et al. [1988]. The simulations provide new insight into the physical mechanism for snapback. As Bernhardt et al. [1988] hypothesized, the heater wave is refracted by the density cavity, thus causing the location of heating to drift in longitude. The cause of snapback, however, is not that the ray snaps back to its original configuration once the density cavity has convected out of range. Instead, the density cavity convects into the path of the refracted ray such that only a small portion of the ray near the original heating location is above the threshold for HF heating. The heating location thus suddenly snaps back to the original location but the ray itself is still refracted in longitude.

  6. First 100 ms of HF modification at Tromso, Norway

    NASA Astrophysics Data System (ADS)

    Djuth, F. T.; Isham, B.; Rietveld, M. T.; Hagfors, T.; La Hoz, C.

    Experiments were performed with the high-power high-frequency HF facility at Troms o Norway to test theoretical predictions for the excitation of ion and Langmuir oscillations in the ionosphere The principal diagnostic of wave-plasma interactions was the VHF radar at the European Incoherent Scatter EISCAT facility High resolution radar techniques were used to monitor the temporal development of the ion and Langmuir oscillations HF pulses 100 ms in duration were periodically transmitted into a smooth background F region plasma Measurements of the radar backscatter spectra show that all key spectral features predicted by strong Langmuir turbulence SLT theory modified Zakharov model are simultaneously present in the plasma and that their evolution is in agreement with theoretical expectations However several new features have been observed that cannot be anticipated by current theory because of limitations in the electric field strength within the simulations The experimental results reinforce the notion that new theoretical developments are needed to accommodate the large HF electric fields produced at Troms o and HAARP Gakona Alaska and to treat the electron acceleration process in a self-consistent fashion The F region response to two HF effective radiated power levels sim 58 MW and sim 125 MW was investigated at Troms o These ERP values include absorptive losses resulting from the sunlit D region In general the results at 58 MW ERP and 125 MW ERP are consistent with many of the SLT

  7. HF wire antennas over real ground: Computer simulation and measurement

    NASA Astrophysics Data System (ADS)

    Belrose, John S.; Royer, G. M.; Petrie, L. E.

    1989-09-01

    The considerable combined experience with numerical and experimental modeling, with fabricating, with measuring performance of and with using practical HF antennas for the low HF band (2 to 8 MHz) is examined. The antenna poses a particularly difficult problem for this frequency band, particularly if a broad-band antenna is wanted for frequency agile systems, because of the four-to-one change in wavelength over the band. A further complication is that as the frequency is reduced so is the electrical height of the antenna above the ground, and since the ground is an imperfect conductor, the finite conductivity of the ground introduces loss of gain, and detuning. There is great concern with antennas at low (electrical) heights, even with antennas very near to or actually lying on the ground. Antennas lying on or near the ground are of particular interest for military tactical communicators, since low profile antenna systems that require no support mast or masts are operationally and logistically an advantage for use in a tactical environment. HF radio operators in the Canadian north have frequently reported success with using HF dipoles lying on the ground. The reason that antennas perform at all under the circumstances is because of the very low ground conductivities found in the Canadian north. It is shown what gain to expect under such circumstances. The comparison between computer simulation with measurement is emphasized, and with the application of computers for both numerical modeling, measurement, and data analysis and presentation.

  8. Noble gas encapsulation: clathrate hydrates and their HF doped analogues.

    PubMed

    Mondal, Sukanta; Chattaraj, Pratim Kumar

    2014-09-01

    The significance of clathrate hydrates lies in their ability to encapsulate a vast range of inert gases. Although the natural abundance of a few noble gases (Kr and Xe) is poor their hydrates are generally abundant. It has already been reported that HF doping enhances the stability of hydrogen hydrates and methane hydrates, which prompted us to perform a model study on helium, neon and argon hydrates with their HF doped analogues. For this purpose 5(12), 5(12)6(8) and their HF doped analogues are taken as the model clathrate hydrates, which are among the building blocks of sI, sII and sH types of clathrate hydrate crystals. We use the dispersion corrected and gradient corrected hybrid density functional theory for the calculation of thermodynamic parameters as well as conceptual density functional theory based reactivity descriptors. The method of the ab initio molecular dynamics (AIMD) simulation is used through atom centered density matrix propagation (ADMP) techniques to envisage the structural behaviour of different noble gas hydrates on a 500 fs timescale. Electron density analysis is carried out to understand the nature of Ng-OH2, Ng-FH and Ng-Ng interactions. The current results noticeably demonstrate that the noble gas (He, Ne, and Ar) encapsulation ability of 5(12), 5(12)6(8) and their HF doped analogues is thermodynamically favourable. PMID:25047071

  9. ORIGIN OF EXCESS {sup 176}Hf IN METEORITES

    SciTech Connect

    Thrane, Kristine; Connelly, James N.; Bizzarro, Martin; Meyer, Bradley S.; The, Lih-Sin

    2010-07-10

    After considerable controversy regarding the {sup 176}Lu decay constant ({lambda}{sup 176}Lu), there is now widespread agreement that (1.867 {+-} 0.008) x 10{sup -11} yr{sup -1} as confirmed by various terrestrial objects and a 4557 Myr meteorite is correct. This leaves the {sup 176}Hf excesses that are correlated with Lu/Hf elemental ratios in meteorites older than {approx}4.56 Ga meteorites unresolved. We attribute {sup 176}Hf excess in older meteorites to an accelerated decay of {sup 176}Lu caused by excitation of the long-lived {sup 176}Lu ground state to a short-lived {sup 176m}Lu isomer. The energy needed to cause this transition is ascribed to a post-crystallization spray of cosmic rays accelerated by nearby supernova(e) that occurred after 4564.5 Ma. The majority of these cosmic rays are estimated to penetrate accreted material down to 10-20 m, whereas a small fraction penetrate as deep as 100-200 m, predicting decreased excesses of {sup 176}Hf with depth of burial at the time of the irradiation event.

  10. Insight into unusual impurity absorbability of GeO(2) in GeO(2)∕Ge stacks.

    PubMed

    Ogawa, Shingo; Suda, Taichi; Yamamoto, Takashi; Kutsuki, Katsuhiro; Hideshima, Iori; Hosoi, Takuji; Shimura, Takayoshi; Watanabe, Heiji

    2011-10-01

    Adsorbed species and its diffusion behaviors in GeO(2)∕Ge stacks, which are future alternative metal-oxide-semiconductor (MOS) materials, have been investigated using various physical analyses. We clarified that GeO(2) rapidly absorbs moisture in air just after its exposure. After the absorbed moisture in GeO(2) reaches a certain limit, the GeO(2) starts to absorb some organic molecules, which is accompanied by a structural change in GeO(2) to form a partial carbonate or hydroxide. We also found that the hydrogen distribution in GeO(2) shows intrinsic characteristics, indicative of different diffusion behaviors at the surface and at the GeO(2)∕Ge interface. Because the impurity absorbability of GeO(2) has a great influence on the electrical properties in Ge-MOS devices, these results provide valuable information in realizing high quality GeO(2)∕Ge stacks for the actual use of Ge-MOS technologies.

  11. Very low temperature epitaxy of Ge and Ge rich SiGe alloys with Ge2H6 in a Reduced Pressure - Chemical Vapour Deposition tool

    NASA Astrophysics Data System (ADS)

    Aubin, J.; Hartmann, J. M.; Bauer, M.; Moffatt, S.

    2016-07-01

    We have studied the very low temperature epitaxy of pure Ge and of Ge-rich SiGe alloys in a 200 mm industrial reduced pressure chemical vapour deposition tool. We have, first of all, benchmarked germane (GeH4) and digermane (Ge2H6) for the growth of pure Ge. Used Ge2H6 instead of GeH4 enabled us to dramatically increase the Ge growth rate at temperatures 425 °C and lower (5.6 nm min-1 compared to 0.14 nm min-1 at 350 °C with a Ge2H6 mass-flow one fourth that of GeH4). We have also evaluated at 400 °C, 100 Torr, the impact of the GeH4 or Ge2H6 mass-flow on the Ge growth rate. For a given Ge atomic flow, the higher surface reactivity of digermane yielded roughly five times higher growth rates than with germane. We have then combined digermane with disilane (Si2H6) or dichlorosilane (SiH2Cl2) in order to study the GeSi growth kinetics at 475 °C, 100 Torr. While the SiH2Cl2 mass-flow did not have any clear influence on the GeSi growth rate (with a 14 nm min-1 mean value, then), a Si2H6 mass-flow increase resulted in a slight GeSi growth rate increase (from 11 nm min-1 up to 14 nm min-1). Significantly higher Ge concentrations were otherwise accessed with dichlorosilane than with disilane, in the 77-82% range compared to the 39-53% range, respectively.

  12. Calorimetric studies of Cu-Li, Li-Sn, and Cu-Li-Sn.

    PubMed

    Fürtauer, S; Tserenjav, E; Yakymovych, A; Flandorfer, H

    2013-06-01

    Integral molar enthalpies of mixing were determined by drop calorimetry for Cu-Li-Sn at 1073 K along five sections xCu/xSn ≈ 1:1, xCu/xSn ≈ 2:3, xCu/xSn ≈ 1:4, xLi/xSn ≈ 1:1, and xLi/xSn ≈ 1:4. The integral and partial molar mixing enthalpies of Cu-Li and Li-Sn were measured at the same temperature, for Li-Sn in addition at 773 K. All binary data could be described by Redlich-Kister-polynomials. Cu-Li shows an endothermic mixing effect with a maximum in the integral molar mixing enthalpy of ∼5300 J · mol(-1) at xCu = 0.5, Li-Sn an exothermic minimum of ∼ -37,000 J · mol(-1) at xSn ∼ 0.2. For Li-Sn no significant temperature dependence between 773 K and 1073 K could be deduced. Our measured ternary data were fitted on the basis of an extended Redlich-Kister-Muggianu model for substitutional solutions. Additionally, a comparison of these results to the extrapolation model of Chou is given.

  13. Calorimetric studies of Cu–Li, Li–Sn, and Cu–Li–Sn

    PubMed Central

    Fürtauer, S.; Tserenjav, E.; Yakymovych, A.; Flandorfer, H.

    2013-01-01

    Integral molar enthalpies of mixing were determined by drop calorimetry for Cu–Li–Sn at 1073 K along five sections xCu/xSn ≈ 1:1, xCu/xSn ≈ 2:3, xCu/xSn ≈ 1:4, xLi/xSn ≈ 1:1, and xLi/xSn ≈ 1:4. The integral and partial molar mixing enthalpies of Cu–Li and Li–Sn were measured at the same temperature, for Li–Sn in addition at 773 K. All binary data could be described by Redlich–Kister-polynomials. Cu–Li shows an endothermic mixing effect with a maximum in the integral molar mixing enthalpy of ∼5300 J · mol−1 at xCu = 0.5, Li–Sn an exothermic minimum of ∼ −37,000 J · mol−1 at xSn ∼ 0.2. For Li–Sn no significant temperature dependence between 773 K and 1073 K could be deduced. Our measured ternary data were fitted on the basis of an extended Redlich–Kister–Muggianu model for substitutional solutions. Additionally, a comparison of these results to the extrapolation model of Chou is given. PMID:23814314

  14. Quadrupole Collectivity in Neutron Deficient Sn Isotopes

    NASA Astrophysics Data System (ADS)

    Gade, Alexandra

    2014-03-01

    One of the overarching goals of nuclear physics is the development of a comprehensive model of the atomic nucleus with predictive power across the nuclear chart. Of particular importance for the development of nuclear models is experimental data that consistently track the effect of isospin and changed binding, for example. The chain of Sn isotopes has been a formidable testing ground for nuclear models as some spectroscopic data is available from N = Z = 50 100Sn in the proximity of the proton dripline to 134Sn, beyond the very neutron-rich doubly magic nucleus 132Sn. In even-even nuclei, the electromagnetic quadrupole excitation strength is a measure of quadrupole collectivity, sensitive to the presence of shell gaps, nuclear deformation, and nucleon-nucleon correlations, for example. In the Sn isotopes, this transition strength has been reported from 104Sn to 130Sn, spanning a chain of 14 even-even Sn isotopes. The trend is asymmetric with respect to midshell and not even the largest-scale shell-model calculations have been able to describe the evolution of transition strength across the isotopic chain without varying effective charges. Implications will be discussed. This work was supported by the National Science Foundation under Grant No. PHY-1102511.

  15. Effects of Zr impurity on microscopic behavior of Hf metal

    NASA Astrophysics Data System (ADS)

    Dey, S. K.; Dey, C. C.; Saha, S.

    2016-08-01

    Hf metal with ∼ 3 wt% Zr impurity has been reinvestigated by perturbed angular correlation (PAC) spectroscopy using a LaBr3(Ce)-BaF2 detector set up to understand the microscopic behavior of this metal with temperature. From present measurements, five quadrupole interaction frequencies have been found at room temperature where both pure hcp fraction (∼33%) with 12 nearest neighbor Hf surrounding the probe 181Hf atom and the probe-impurity fraction (∼33%) corresponding to 11 nearest neighbor Hf plus one dissimilar Zr atom are clearly distinguished. At room temperature, the results for quadrupole frequency and asymmetry parameter are found to be ωQ=51.6(4) Mrad/s, η=0.20(4) for the impurity fraction and ωQ=46.8(2) Mrad/s, η=0 for the pure fraction with values of frequency distribution width δ=0 for both components. At 77 K, only 1 NN Zr impurity (∼93%) and pure hcp (∼7%) components have been found with a value of δ ∼ 10% for the impurity fraction. A drastic change in microstructural configuration of Hf metal is observed at 473 K where the impurity fraction increases to ∼ 50% and the pure hcp fraction reduces to ∼ 15% with abrupt changes in quadrupole frequencies for both components. The pure fraction then increases with temperature and enhances to ∼50% at 973 K. In the temperature range 473-973 K, quadrupole frequencies for both components are found to decrease slowly with temperature. Using the Arrhenius relation, binding energy (B) for the probe-impurity pair and the entropy of formation are measured from temperature dependent fractions of probe-impurity and pure hcp in the temperature range 473-773 K. The three other minor components found at different temperatures are attributed to crystalline defects.

  16. Structural and electronic properties of Sn overlayers and {Pd}/{Sn} surface alloys on Pd(111)

    NASA Astrophysics Data System (ADS)

    Lee, Adam F.; Baddeley, Christopher J.; Tikhov, Mintcho S.; Lambert, Richard M.

    1997-03-01

    The first two layers of Sn deposited on Pd(111) at 300 K grow in layer-by-layer fashion after which crystallite formation commences. The electronic properties of these overlayers are dependent on the size of the 3D Sn islands. The occurrence of Sn→Pd valence charge-transfer is inferred, due allowance being made for initial and final state effects in the photoemission data. Evidence is presented for a significant Pd surface core-level shift enhancement by Sn of ≈0.7 eV. Depending on the initial Sn loading, heating generates stable monolayer (Pd 2Sn) or multilayer (Pd 3Sn) surface alloys exhibiting √3 and (2 × 2) periodicities, respectively. The very different CO adsorption capacity of these two phases indicates that on {Pd}/{Sn} alloy surfaces, only pure Pd threefold hollow-sites are capable of strongly chemisorbing CO.

  17. Broadband Ge/SiGe quantum dot photodetector on pseudosubstrate

    PubMed Central

    2013-01-01

    We report the fabrication and characterization of a ten-period Ge quantum dot photodetector grown on SiGe pseudosubstrate. The detector exhibits tunable photoresponse in both 3- to 5- μm and 8- to 12- μm spectral regions with responsivity values up to about 1 mA/W at a bias of −3 V and operates under normal incidence radiation with background limited performance at 100 K. The relative response in the mid- and long-wave atmospheric windows could be controlled through the applied voltage. PMID:23651470

  18. Improvement of voltage deficit of Ge-incorporated kesterite solar cell with 12.3% conversion efficiency

    NASA Astrophysics Data System (ADS)

    Kim, Shinho; Kim, Kang Min; Tampo, Hitoshi; Shibata, Hajime; Niki, Shigeru

    2016-10-01

    We demonstrate the improved efficiency of a Cu2Zn(Sn1- x Ge x )Se4 (CZTGSe) thin-film solar cell with a conversion efficiency of 12.3%; this cell exhibits a greatly improved open-circuit voltage (V OC) deficit of 0.583 V and a fill factor (FF) of 0.73 compared with previously reported CZTGSe cells. The V OC deficit was found to be improved through a reduced band tailing via the control of the Ge/(Sn + Se) ratio. In addition, the high FF was mainly induced by a reduced carrier recombination at the absorber/buffer interface and/or in the space charge region, whereas parasitic resistive effects on FF were very small.

  19. Band structure in 113Sn

    NASA Astrophysics Data System (ADS)

    Banerjee, P.; Ganguly, S.; Pradhan, M. K.; Sharma, H. P.; Muralithar, S.; Singh, R. P.; Bhowmik, R. K.

    2016-07-01

    The structure of collective bands in 113Sn, populated in the reaction 100Mo(19F,p 5 n ) at a beam energy of 105 MeV, has been studied. A new positive-parity sequence of eight states extending up to 7764.9 keV and spin (39 /2+) has been observed. The band is explained as arising from the coupling of the odd valence neutron in the g7 /2 or the d5 /2 orbital to the deformed 2p-2h proton configuration of the neighboring even-A Sn isotope. Lifetimes of six states up to an excitation energy of 9934.9 keV and spin 47 /2-belonging to a Δ I =2 intruder band have been measured for the first time, including an upper limit for the last state, from Doppler-shift-attenuation data. A moderate average quadrupole deformation β2=0.22 ±0.02 is deduced from these results for the five states up to spin 43 /2- . The transition quadrupole moments decrease with increase in rotational frequency, indicating a reduction of collectivity with spin, a feature common for terminating bands. The behavior of the kinematic and dynamic moments of inertia as a function of rotational frequency has been studied and total Routhian surface calculations have been performed in an attempt to obtain an insight into the nature of the states near termination.

  20. Photoluminescence and Cathodoluminescence Characterization of Ge/GeO2 Nanostructure Synthesized by Thermal Evaporation of Ge Powder

    NASA Astrophysics Data System (ADS)

    Pham, V. H.; Trung, D. Q.; Kien, N. D. T.; Tam, P. D.; Huy, P. T.

    2016-09-01

    This paper reports the first attempt to characterize the light-emission from Ge/GeO2 nanostructure synthesized by thermal evaporation. The synthesized Ge/GeO2 was observed to have a nanowire structure. Photoluminescence (PL) results show that the emission center of the PL peak at about 410 and 485 nm depends on the excitation wavelength. Experimental XRD, EDS and spectral analyses suggest that the 410 nm emission can be attributed to the Ge core; however, 485 nm is attributed to the GeO2 sheath.

  1. The stability of the bifluoride ion (HF - 2) in the gas phase

    NASA Astrophysics Data System (ADS)

    Heni, Martin; Illenberger, Eugen

    1985-12-01

    The bifluoride ion (HF-2) has been generated by dissociative electron attachment to trans-1,2-difluorethylene and cis-1,2-difluoroethylene. Evaluation of the energetics for these reactions leads to ΔH0f (HF-2) ≤-6.9 eV and E. A. (HF2)≥4.8 eV.

  2. 75 FR 10186 - Beauveria bassiana HF23; Amendment of Exemption from the Requirement of a Tolerance

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-03-05

    ... granting a tolerance exemption for Beauveria bassiana HF23 (Unit III.A. and B., 72 FR 1177, January 10... AGENCY 40 CFR Part 180 Beauveria bassiana HF23; Amendment of Exemption from the Requirement of a... the need to establish a maximum permissible level for residues of Beauveria bassiana HF23. DATES:...

  3. 40 CFR 180.1273 - Beauveria bassiana HF23; exemption from the requirement of a tolerance.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 24 2011-07-01 2011-07-01 false Beauveria bassiana HF23; exemption... FOOD Exemptions From Tolerances § 180.1273 Beauveria bassiana HF23; exemption from the requirement of a tolerance. Residues of Beauveria bassiana HF23 are exempt from the requirement of a tolerance on all...

  4. 40 CFR 180.1273 - Beauveria bassiana HF23; exemption from the requirement of a tolerance.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Beauveria bassiana HF23; exemption... FOOD Exemptions From Tolerances § 180.1273 Beauveria bassiana HF23; exemption from the requirement of a tolerance. Residues of Beauveria bassiana HF23 are exempt from the requirement of a tolerance on all...

  5. Investigation of Coulomb scattering on sSi/Si0.5Ge0.5/sSOI quantum-well p-MOSFETs

    NASA Astrophysics Data System (ADS)

    Jiao, Wen; Qiang, Liu; Chang, Liu; Yize, Wang; Bo, Zhang; Zhongying, Xue; Zengfeng, Di; Wenjie, Yu; Qingtai, Zhao

    2016-09-01

    sSi/Si0.5Ge0.5/sSOI quantum-well (QW) p-MOSFETs with HfO2/TiN gate stack were fabricated and characterized. According to the low temperature experimental results, carrier mobility of the strained Si0.5Ge0.5 QW p-MOSFET was mainly governed by phonon scattering from 300 to 150 K and Coulomb scattering below 150 K, respectively. Coulomb scattering was intensified by the accumulated inversion charges in the Si cap layer of this Si/SiGe heterostructure, which led to a degradation of carrier mobility in the SiGe channel, especially at low temperature. Project supported by the National Natural Science Foundation of China (Nos. 61306126, 61306127, 61106015) and the CAS International Collaboration and Innovation Program on High Mobility Materials Engineering.

  6. Observed and simulated time evolution of HCl, ClONO2, and HF total columns

    NASA Astrophysics Data System (ADS)

    Ruhnke, Roland; Geomon, Ndacc Infrared, Modelling Working Group

    2010-05-01

    GEOmon, NDACC Infrared, and Modelling Working Group: M.P. Chipperfield (2), M. De Mazière (3), J. Notholt (4), S. Barthlott (1), R.L. Batchelor (5,17), R.D. Blatherwick (16), Th. Blumenstock (1), M.T. Coffey (17), P. Duchatelet (6), H. Fast (7), W. Feng (2), A. Goldman (16), D.W.T. Griffith (8), K. Hamann (1), J.W. Hannigan (17), F. Hase (1), N.B. Jones (8), A. Kagawa (9,10), Y. Kasai (9), O. Kirner (19), R. Kohlhepp (1), W. Kouker (1), I. Kramer (1), R. Lindenmaier (5), E. Mahieu (6), R.L. Mittermeier (7), B. Monge-Sanz (2), I. Murata (12), H. Nakajima (13), I. Morino (11), M. Palm (4), C. Paton-Walsh (8), Th. Reddmann (1), M. Rettinger (15), C.P. Rinsland (18), M. Schneider (1), C. Senten (3), B.-M. Sinnhuber (4), D. Smale (14), K. Strong (5), R. Sussmann (15), J.R. Taylor (5), G. Vanhaelewyn (3), T. Warneke (4), C. Whaley (5), M. Wiehle (1), and S.W. Wood (14) (1) Karlsruhe Institute of Technology (KIT), IMK-ASF, Karlsruhe, Germany, (2) University of Leeds, Leeds, United Kingdom, (3) Belgian Institute for Space Aeronomy (BIRA-IASB), Brussels, Belgium, (4) University of Bremen, Institute of Environmental Physics, Bremen, Germany, (5) Department of Physics, University of Toronto, Toronto, Ontario, Canada, (6) University of Liège, Institute of Astrophysics and Geophysics, Liège, Belgium, (7) Environment Canada, Toronto, Ontario, Canada, (8) Centre for Atmospheric Chemistry, University of Wollongong, Wollongong, Australia, (9) National Institute of Information and Communications Technology, Tokyo, Japan, (10) Fujitsu FIP Corporation, Tokyo, Japan, (11) Center for Global Environmental Research, National Institute for Environmental Studies (NIES), Japan, (12) Department of Environmental Studies, Graduate School of Environmental Studies, Tohoku University, Japan, (13) Atmospheric Environment Division, National Institute for Environmental Studies, Japan, (14) National Institute of Water and Atmospheric Research Ltd (NIWA), Lauder, New Zealand, (15) Karlsruhe

  7. Electrodeposition of nanostructured Sn-Zn coatings

    NASA Astrophysics Data System (ADS)

    Salhi, Y.; Cherrouf, S.; Cherkaoui, M.; Abdelouahdi, K.

    2016-03-01

    The electrodeposition of Sn-Zn coating at ambient temperature was investigated. The bath consists of metal salts SnCl2·2H2O and ZnSO4·7H2O and sodium citrate (NaC6H5Na3O7·2H2O) as complexing agent. To prevent precipitation, the pH is fixed at 5. Reducing tin and zinc through Sncit2- and ZnHcit- complex respectively is confirmed by the presence of two cathodic peaks on the voltammogram. The kinetic of tin (II) reduction process is limited by the SnCit2- dissociation. The SEM and TEM observations have showed that the coating consists of a uniform Sn-Zn layer composed of fine grains on which tin aggregates grow up. XRD revealed peaks corresponding to the hexagonal Zn phase and the tetragonal β-Sn phase.

  8. On the Nb-Ge Binary System

    NASA Astrophysics Data System (ADS)

    Papadimitriou, Ioannis; Utton, Claire; Tsakiropoulos, Panos

    2015-12-01

    First-principles calculations were used to study intermetallic compounds in the Nb-Ge system, to gain a better understanding of the phase diagram and resolve conflicts reported in the literature. The enthalpy of formation with regard to temperature was calculated for all the intermetallic compounds, to investigate phase stabilities and phase equilibria at low and elevated temperatures. These results, combined with the electronic DOS, suggest that the tI32 (W5Si3-type) Nb5Ge3 and NbGe2 compounds are stable over the whole temperature range. The stoichiometric cP8 Nb3Ge becomes stable close to its melting temperature. Regarding different compositions of the cP8 Nb3Ge, the calculations suggest the (Nb)0.75(Nb,Ge)0.25 model for the Nb3Ge phase instead of the proposed model, (Nb)0.75(Nb,Ge,Va)0.25, where Va represents vacancy. The calculations show that the tI32 (Cr5B3-type) Nb5Ge3, hP16 (Mn5Si3-type) Nb5Ge3 and Nb10Ge7 compounds should be considered metastable. The elastic constants, bulk, shear, and Young's modulus, Poisson's ratio, and Debye temperature of the Nb, Ge, cP8 Nb3Ge, tP32 Nb3Ge, tI32 (Cr5B3-type) Nb5Ge3, tI32 (W5Si3-type) Nb5Ge3, hP16 (Mn5Si3-type) Nb5Ge3, Nb10Ge7 and NbGe2 were calculated. These phases were found to be mechanically stable. Using the Cauchy pressure, Pugh's index of ductility, and the Poisson's ratio as criteria, the calculations suggest that the tI32 (Cr5B3-type) Nb5Ge3 and NbGe2 intermetallics should be brittle (with the latter being the most brittle) and the cP8 Nb3Ge, tP32 Nb3Ge, hP16 Nb5Si3 and Nb10Ge7 ductile (with cP8 Nb3Ge being the most ductile).

  9. Anuglar distribution of shower particles produced in the collisions of 20-GeV/c and 300-GeV negative pions with emulsion nuclei

    NASA Technical Reports Server (NTRS)

    Kim, C. O.; Kim, S. N.; Park, I. G.; Yoon, C. S.

    1983-01-01

    For 435 accelerator produced antipions jets of 20 GeV/c and 300 GeV, in nuclear emulsion, eta(theta)'s have been individually calculated for each jet, where eta(theta) is a kinematic parameter introduced in order to approximate the LS (laboratory system) rapidity, eta = arctan h (beta cos theta). By taking further averages by dividing the samples into groupings of the LS energy E sub pi = m cos h eta sub pi N sub h, the number of heavy prongs with LS velocity beta 0.7, and n , the number of charged shower particles with LS velocity beta 0.7, much less than eta (theta) much greater than are obtained. By use of the KNO (Koba-Nielsen-Olesen) scaling variable, xi = n sub s/,n sub s. good fit is found of data to regression function.

  10. Neutron emission following muon capture in Ce-142, Ce-140, Ba-138, and Sn-120.

    NASA Technical Reports Server (NTRS)

    Lucas, G. R., Jr.; Martin, P.; Welsh, R. E.; Jenkins, D. A.; Powers, R. J.; Kunselman, A. R.; Miller, G. H.

    1973-01-01

    Branching ratios to excited nuclear states formed after muon capture have been measured with Ge(Li) detectors. The delayed gamma rays were observed in studies of muonic Ce-142, Ce-140, Ba-138, and Sn-120, using separated isotopes. The resulting isotopes formed indicate at least a 60% probability of neutron emission upon muon capture, with the most likely product resulting from single-neutron emission. No evidence for delayed proton emission with a probability higher than 2% was found. Using our more precise energies for the observed nuclear transitions, we present revised energy levels schemes for La-141, La-139, Cs-137, and In-119.

  11. Two-dimensional semiconductor HfSe{sub 2} and MoSe{sub 2}/HfSe{sub 2} van der Waals heterostructures by molecular beam epitaxy

    SciTech Connect

    Aretouli, K. E.; Tsipas, P.; Tsoutsou, D.; Marquez-Velasco, J.; Xenogiannopoulou, E.; Giamini, S. A.; Vassalou, E.; Kelaidis, N.; Dimoulas, A.

    2015-04-06

    Using molecular beam epitaxy, atomically thin 2D semiconductor HfSe{sub 2} and MoSe{sub 2}/HfSe{sub 2} van der Waals heterostructures are grown on AlN(0001)/Si(111) substrates. Details of the electronic band structure of HfSe{sub 2} are imaged by in-situ angle resolved photoelectron spectroscopy indicating a high quality epitaxial layer. High-resolution surface tunneling microscopy supported by first principles calculations provides evidence of an ordered Se adlayer, which may be responsible for a reduction of the measured workfunction of HfSe{sub 2} compared to theoretical predictions. The latter reduction minimizes the workfunction difference between the HfSe{sub 2} and MoSe{sub 2} layers resulting in a small valence band offset of only 0.13 eV at the MoSe{sub 2}/HfSe{sub 2} heterointerface and a weak type II band alignment.

  12. Noncentrosymmetric selenide Ba4Ga4GeSe12: Synthesis, structure, and optical properties

    NASA Astrophysics Data System (ADS)

    Yin, Wenlong; Iyer, Abishek K.; Li, Chao; Lin, Xinsong; Yao, Jiyong; Mar, Arthur

    2016-09-01

    The selenide Ba4Ga4GeSe12, synthesized by reaction of BaSe, Ga2Se3, and GeSe2 at 1173 K, adopts a noncentrosymmetric tetragonal structure (space group P 4 bar21 c , Z=2, a=13.5468(4) Å, c=6.4915(2) Å) consisting of a three-dimensional network built from two types of corner-sharing MSe4 tetrahedra, with Ba cations occupying the intervening voids. It is isostructural to Pb4Ga4GeS12, Pb4Ga4GeSe12, and Ba4Ga4SnSe12, but differs subtly in site ordering. Structural refinements and bond valence sum analysis suggest partial disorder manifested by mixing of 0.75 Ga and 0.25 Ge within one tetrahedral site, and occupation of exclusively Ga within the other tetrahedral site. The optical band gap of 2.18(2) eV, measured from the UV/VIS/NIR diffuse reflectance spectrum, agrees with a calculated gap of 2.35 eV between valence and conduction bands and is consistent with the orange-yellow color of the crystals. Nonlinear optical measurements on powder samples revealed a weak second harmonic generation signal using 2.09 μm as the fundamental laser wavelength.

  13. 176Lu-176Hf geochronology of garnet I: experimental determination of the diffusion kinetics of Lu3+ and Hf4+ in garnet, closure temperatures and geochronological implications

    NASA Astrophysics Data System (ADS)

    Bloch, Elias; Ganguly, Jibamitra; Hervig, Richard; Cheng, Weiji

    2015-02-01

    The 176Lu-176Hf and 147Sm-143Nd decay systems are routinely used to determine garnet (Grt)-whole-rock (WR) ages; however, the 176Lu-176Hf age of garnet is typically older than the 147Sm-143Nd age determined from the same aliquots. Here we present experimental data for Lu3+ and Hf4+ diffusion in garnet as functions of temperature, pressure and oxygen fugacity and show that the diffusivity of Hf4+ in almandine/spessartine garnet is significantly slower than that of Lu3+. The diffusive closure temperature ( T C) of Hf4+ is significantly higher than that of Nd3+, and although this property is partly responsible for the observed 176Lu-176Hf and 147Sm-143Nd Grt-WR age discrepancies, the difference between the T C-s of Lu3+ and Hf4+ could lead to apparent Grt-WR 176Lu-176Hf ages that are skewed from the age of Hf4+ closure in garnet. In addition, the slow diffusivity of Hf4+ indicates that the bulk of metamorphic garnets retain a substantial fraction of prograde radiogenic 176Hf throughout peak metamorphic conditions, a phenomenon that further complicates the interpretation of 176Lu-176Hf garnet ages and invalidates the use of analytical T C expressions. We argue that the diffusion of trivalent rare earth elements in garnet becomes much faster when their concentration level falls below a few hundred ppm, as in the experiments of Tirone et al. (Geochim Cosmochim Acta 69: 2385-2398, 2005), and further argue that this low-concentration mechanism is appropriate for modeling the susceptibility of 147Sm-143Nd garnet ages to diffusive resetting.

  14. Direct observation of Sn crystal growth during the lithiation and delithiation processes of SnO(2) nanowires.

    PubMed

    Zhang, Li Qiang; Liu, Xiao Hua; Perng, Ya-Chuan; Cho, Jea; Chang, Jane P; Mao, Scott X; Ye, Zhi Zhen; Huang, Jian Yu

    2012-11-01

    Tin (Sn) crystal growth on Sn-based anodes in lithium ion batteries is hazardous for reasons such as possible short-circuit failure by Sn whiskers and Sn-catalyzed electrolyte decomposition, but the growth mechanism of Sn crystals during battery cycling is not clear. Here we report different growth mechanisms of Sn crystal during the lithiation and delithiation processes of SnO(2) nanowires revealed by in situ transmission electron microscopy (TEM). Large spherical Sn nanoparticles with sizes of 20-200nm grew instantaneously upon lithiation of a single-crystalline SnO(2) nanowire at large current density (j>20A/cm(2)), which suppressed formation of the Li(x)Sn alloy but promoted agglomeration of Sn atoms. Control experiments of Joule-heating (j≈2400A/cm(2)) the pristine SnO(2) nanowires resulted in melting of the SnO(2) nanowires but not Sn particle growth, indicating that the abnormal Sn particle growth was induced by both chemical reduction (i.e., breaking the SnO(2) lattice to produce Sn atoms) and agglomeration of the Sn atoms assisted by Joule heating. Intriguingly, Sn crystals grew out of the nanowire surface via a different "squeeze-out" mechanism during delithiation of the lithiated SnO(2) nanowires coated with an ultra-thin solid electrolyte LiAlSiO(x) layer. It is attributed to the negative stress gradient generated by the fast Li extraction in the surface region through the Li(+)-conducting LiAlSiO(x) layer. Our previous studies showed that Sn precipitation does not occur in the carbon-coated SnO(2) nanowires, highlighting the effect of nanoengineering on tailoring the electrochemical reaction kinetics to suppress the hazardous Sn whiskers or nanoparticles formation in a lithium ion battery. PMID:22770619

  15. SN1987A's Twentieth Anniversary

    NASA Astrophysics Data System (ADS)

    2007-02-01

    Looking back at 20 Years of Observations of this Supernova with ESO telescopes The unique supernova SN 1987A has been a bonanza for astrophysicists. It provided several observational 'firsts,' like the detection of neutrinos from an exploding star, the observation of the progenitor star on archival photographic plates, the signatures of a non-spherical explosion, the direct observation of the radioactive elements produced during the blast, observation of the formation of dust in the supernova, as well as the detection of circumstellar and interstellar material. ESO PR Photo 08a/07 ESO PR Photo 08a/07 SN1987A in the Large Magellanic Cloud Today, it is exactly twenty years since the explosion of Supernova 1987A in the Large Magellanic Cloud was first observed, at a distance of 163,000 light-years. It was the first naked-eye supernova to be seen for 383 years. Few events in modern astronomy have met with such an enthusiastic response by the scientists and now, after 20 years, it continues to be an extremely exciting object that is further studied by astronomers around the world, in particular using ESO's telescopes. When the first signs of Supernova 1987A, the first supernova of the year 1987, were noticed early on 24 February of that year, it was clear that this would be an unusual event. It was discovered by naked-eye and on a panoramic photographic plate taken with a 10-inch astrograph on Las Campanas in Chile by Oscar Duhalde and Ian Shelton, respectively. A few hours earlier, still on 23 February, two large underground detectors - in Japan and the USA - had registered the passage of high-energy neutrinos. Since SN 1987A exploded in the Large Magellanic Cloud (LMC), it was only accessible to telescopes in the Southern Hemisphere, more particularly in Australia, South Africa, and South America. In Chile, ESO's observatory at La Silla with its armada of telescopes with sizes between 0.5 and 3.6-m, played an important role. ESO PR Photo 08c/07 ESO PR Photo 08c/07 The

  16. A Chemical Approach to 3-D Lithographic Patterning of Si and GeNanocrystals

    SciTech Connect

    Sharp, I.D.; Xu, Q.; Yi, D.O.; Liao, C.Y.; Ager III, J.W.; Beeman, J.W.; Yu, K.M.; Robinson, J.T.; Dubon, O.D.; Chrzan, D.C.; Haller, E.E.

    2005-12-12

    Ion implantation into silica followed by thermal annealingis an established growth method for Si and Ge nanocrystals. Wedemonstrate that growth of Group IV semiconductor nanocrystals can besuppressed by co-implantation of oxygen prior to annealing. For Sinanocrystals, at low Si/O dose ratios, oxygen co-implantation leads to areduction of the average nanocrystal size and a blue-shift of thephotoluminescence emission energy. For both Si and Ge nanocrystals, atlarger Si/O or Ge/O dose ratios, the implanted specie is oxidized andnanocrystals do not form. This chemical deactivation was utilized toachieve patterned growth of Si and Ge nanocrystals. Si was implanted intoa thin SiO2 film on a Si substrate followed by oxygen implantationthrough an electron beam lithographically defined stencil mask. Thermalannealing of the co-implanted structure yields two-dimensionallypatterned growth of Si nanocrystals under the masked regions. We applieda previously developed process to obtain exposed nanocrystals byselective HF etching of the silica matrix to these patterned structures.Atomic force microscopy (AFM) of etched structures revealed that exposednanocrystals are not laterally displaced from their original positionsduring the etching process. Therefore, this process provides a means ofachieving patterned structures of exposed nanocrystals. The possibilitiesfor scaling this chemical-based lithography process to smaller featuresand for extending it to 3-D patterning is discussed.

  17. Thermal conductivity of bulk and nanowire Mg2SixSn1-x alloys from first principles

    NASA Astrophysics Data System (ADS)

    Li, Wu; Lindsay, L.; Broido, D. A.; Stewart, Derek A.; Mingo, Natalio

    2012-11-01

    The lattice thermal conductivity (κ) of the thermoelectric materials, Mg2Si, Mg2Sn, and their alloys, are calculated for bulk and nanowires, without adjustable parameters. We find good agreement with bulk experimental results. For large nanowire diameters, size effects are stronger for the alloy than for the pure compounds. For example, in 200 nm diameter nanowires κ is lower than its bulk value by 30%, 20%, and 20% for Mg2Si0.6Sn0.4, Mg2Si, and Mg2Sn, respectively. For nanowires less than 20 nm thick, the relative decrease surpasses 50%, and it becomes larger in the pure compounds than in the alloy. At room temperature, κ of Mg2SixSn1-x is less sensitive to nanostructuring size effects than SixGe1-x, but more sensitive than PbTexSe1-x. This suggests that further improvement of Mg2SixSn1-x as a nontoxic thermoelectric may be possible.

  18. Recalibrating the Sunspot Number (SN): The 3rd and 4th SN Workshops

    NASA Astrophysics Data System (ADS)

    Cliver, E. W.; Clette, F.; Svalgaard, L.; Vaquero, J. M.

    At the XIIth Hvar Astrophysical Colloquium in 2012, we reviewed the progress of an effort begun in 2011 to recalibrate the sunspot number (SN). That work is now nearing completion and we review the motivation, approach, and results of this process which was conducted via a series of four international workshops. Previously we discussed the principal results of workshops at Sunspot in 2011 and Brussels in 2012. These involved the identification of discontinuities circa 1885 in the Hoyt and Schatten Group SN and 1945 in the International SN. Subsequently, workshops were held in Tucson (2013) and Locarno (2014). Key results during the time of these two workshops included: (1) development of an independent ''backbone'' method for determining the Group sunspot number; (2) identification of post-1970 inhomogeneities in the Group SN and the International SN; (3) construction of preliminary revisions of the Group SN from 1610-present and the International SN from 1700--present; (4) reassessment (ongoing) of the Hoyt and Schatten Group SN data base from 1610-present; and (5) establishment of a SN archive at the University of Extremadura. The release of the new International and Group SN series is anticipated during the second half of 2015 and procedures are being put in place both to maintain the calibration of these two series and to produce subsequent revisions should more historical data be unearthed or new inhomogeneities in the series be uncovered or arise.

  19. Characterization of nanostructured HfO 2 films using RBS and PAC

    NASA Astrophysics Data System (ADS)

    Cavalcante, F. H. M.; Gomes, M. R.; Carbonari, A. W.; Pereira, L. F. D.; Rossetto, D. A.; Costa, M. S.; Alves, E.; Barradas, N. P.; Franco, N.; Redondo, L. M.; Lopes, A. M. L.; Soares, J. C.

    2012-02-01

    The hyperfine field at 181Ta lattice sites in a nanostructured HfO 2 thin film doped with Fe was studied using Rutherford Backscattering Spectrometry and Perturbed Angular Correlation techniques. The 409 nm Hf film was deposited by Electron Beam Evaporation on a silicon substrate. The radioactive 181Hf ions were produced by neutron activation of the nanofilm in the Brazilian Research Reactor (IPEN IEA-R1) by the reaction 180Hf(n,γ) 181Hf. These studies provided an excellent opportunity to obtain unique information regarding local arrangement of the grains, structure, phase transformations of nanoparticles and interfaces of nanostructured materials and the thin film.

  20. Effect of substitutional carbon-doping in BNNTs on HF adsorption: DFT study

    NASA Astrophysics Data System (ADS)

    Kaur, Jasleen; Singhal, Sonal; Goel, Neetu

    2014-11-01

    We employed density functional calculations to investigate the adsorption behavior of HF gas on the side walls of pure and carbon-doped boron nitride nanotubes (BNNTs). The HF adsorption over the pure BNNT opens a door for its functionalization without causing significant changes in its electronic properties. The substitutional doping of carbon atom on the BNNT considerably enhances its affinity towards HF where the effect of the dopant concentration plays a vital role. The change in electronic properties of the doped BNNT on HF adsorption is significant enough to consider it a potential sensor for HF detection.