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Sample records for ge hf sn

  1. (29)Si, (47)Ti, (49)Ti and (195)Pt solid state MAS NMR spectroscopic investigations of ternary silicides TPtSi, germanides TPtGe (T = Ti, Zr, Hf) and stannide TiPtSn.

    PubMed

    Benndorf, Christopher; Eckert, Hellmut; Pöttgen, Rainer

    2016-05-10

    Eight ternary tetrelides TPtX (T = Ti, Zr, Hf; X = Si, Ge, Sn) were synthesized from the elements by arc-melting and subsequent annealing. TiPtSi, ZrPtSi, ZrPtGe, HfPtSi and HfPtGe crystallize with the orthorhombic TiNiSi type structure, in the space group Pnma. The structures of HfPtSi (a = 654.44(9), b = 387.97(6), c = 750.0(1) pm, wR2 = 0.0592, 411 F(2) values, 20 variables) and HfPtGe (a = 660.36(7), b = 395.18(4), c = 763.05(8) pm, wR2 = 0.0495, 430 F(2) values, 20 variables) were refined from single crystal X-ray diffractometer data. TiPtSn adopts the cubic MgAgAs type. TiPtGe is dimorphic with a TiNiSi type high-temperature modification which transforms to cubic LT-TiPtGe (MgAgAs type). All phases were investigated by high resolution (29)Si, (47)Ti, (49)Ti and (195)Pt solid state MAS NMR spectroscopy. In the cubic compounds, the (47/49)Ti NMR signals are easily detected owing to the absence of quadrupolar broadening effects. The (195)Pt resonances of the orthorhombic compounds are characterized by strongly negative isotropic Knight shifts and large Knight shift anisotropies, whereas positive isotropic Knight shifts and no anisotropies are observed for the cubic compounds. These results indicate that the phase transition in TiPtGe is associated with dramatic changes in the electronic properties. Within each group of isotypic compounds the isotropic (29)Si, (47/49)Ti and (195)Pt Knight shifts show systematic dependences on the transition metal or tetrel atomic number, suggesting that the numerical values are influenced by the electronegativities of the metallic (or metalloid) neighbours.

  2. Synthesis of Epitaxial Films Based on Ge-Si-Sn Materials with Ge/GeSn, Ge/GeSiSn, and GeSn/GeSiSn Heterojunctions

    NASA Astrophysics Data System (ADS)

    Timofeev, V. A.; Kokhanenko, A. P.; Nikiforov, A. I.; Mashanov, V. I.; Tuktamyshev, A. R.; Loshkarev, I. D.

    2015-11-01

    Results of investigations into the synthesis of heterostructures based on Ge-Si-Sn materials by the method of low-temperature molecular beam epitaxy are presented. The formation of epitaxial films during structure growth has been controlled by the reflection high-energy electron diffraction method. Films with Ge/GeSn, Ge/GeSiSn, and GeSn/GeSiSn heterojunctions are grown with Sn content changing from 2 to 10 % at temperatures in the interval 150-350°C. The stressed state, the composition, and the lattice parameter are studied by the x-ray diffraction method using Omega-scan curves and reciprocal space maps. A tensile strain in the Ge film during Ge/Ge0.9Sn0.1/Si structure growth has reached 0.86%.

  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.

  4. GeSn/SiGeSn photonic devices for mid-infrared applications: experiments and calculations

    NASA Astrophysics Data System (ADS)

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

    2016-11-01

    In this work, a fully strained GeSn photodetector with Sn atom percent of 8% is fabricated on Ge buffer on Si(001) substrate. The wavelength λ of light signals with obvious optical response for Ge0.92Sn0.08 photodetector is extended to 2 μm. The impacts of compressive strain introduced during the epitaxial growth of GeSn on Ge/Si are studied by simulation. Besides, the tensile strain engineering of GeSn photonic devices is also investigated. Lattice-matched GeSn/SiGeSn double heterostructure light emitting diodes (LEDs) with Si3N4 tensile liner stressor are designed to promote the further mid-infrared applications of GeSn photonic devices. With the releasing of the residual stress in Si3N4 liner, a large biaxial tensile strain is induced in GeSn active layer. Under biaxial tensile strain, the spontaneous emission rate rsp and internal quantum efficiency ηIQE for GeSn/SiGeSn LED are significantly improved.

  5. 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.

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

    SciTech Connect

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

    2016-08-29

    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 Al{sub 2}O{sub 3}/SiO{sub 2} passivation due to the field effect. The electroluminescence of the direct bandgap emission of strained GeSn is also observed from the Ni/Al{sub 2}O{sub 3}/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 Al{sub 2}O{sub 3} and recombine radiatively with electrons. The emission wavelength of photoluminescence and electroluminescence can be tuned by the Sn content.

  7. 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.

  8. 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.

  9. Process modules for GeSn nanoelectronics with high Sn-contents

    NASA Astrophysics Data System (ADS)

    Schulte-Braucks, C.; Glass, S.; Hofmann, E.; Stange, D.; von den Driesch, N.; Hartmann, J. M.; Ikonic, Z.; Zhao, Q. T.; Buca, D.; Mantl, S.

    2017-02-01

    This paper systematically studies GeSn n-FETs, from individual process modules to a complete device. High-k gate stacks and NiGeSn metallic contacts for source and drain are characterized in independent experiments. To study both direct and indirect bandgap semiconductors, a range of 0-14.5 at.% Sn-content GeSn alloys are investigated. Special emphasis is placed on capacitance-voltage (C-V) characteristics and Schottky-barrier optimization. GeSn n-FET devices are presented including temperature dependent I-V characteristics. Finally, as an important step towards implementing GeSn in tunnel-FETs, negative differential resistance in Ge0.87Sn0.13 tunnel-diodes is demonstrated at cryogenic temperatures. The present work provides a base for further optimization of GeSn FETs and novel tunnel FET devices.

  10. Infrared photoresponse of GeSn/n-Ge heterojunctions grown by molecular beam epitaxy.

    PubMed

    Kim, Sangcheol; Bhargava, Nupur; Gupta, Jay; Coppinger, Matthew; Kolodzey, James

    2014-05-05

    Heterojunction devices of Ge(1-x)Sn(x) / n-Ge were grown by solid source molecular beam epitaxy (MBE), and the mid-infrared (IR) photocurrent response was measured. With increasing Sn composition from 4% to 12%, the photocurrent spectra became red-shifted, suggesting that the bandgap of Ge(1-x)Sn(x) alloys was lowered compared to pure Ge. At a temperature of 100 K, the wavelengths of peak photocurrent were shifted from 1.42 µm for pure Ge (0% Sn) to 2.0 µm for 12% Sn. The bias dependence of the device response showed that the optimum reverse bias was > 0.5 volts for saturated photocurrent. The responsivity of the Ge(1-x)Sn(x) devices was estimated to be 0.17 A/W for 4% Sn. These results suggest that Ge(1-x)Sn(x) photodetectors may have practical applications in the near/mid IR wavelength regime.

  11. 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.

  12. GeSn/Ge quantum well photodetectors for short-wave infrared photodetection: experiments and modeling

    NASA Astrophysics Data System (ADS)

    Tsai, Chia-Ho; Chang, Guo-En

    2017-05-01

    Group-IV GeSn material systems have recently considered as a new material for sensitive photodetection in the short-wave infrared (SWIR) region. The introduction of Sn into Ge can effectively narrow the bandgap energies, thereby extending the absorption edges toward the longer wavelengths and enabling effective photodetection in SWIR region. Here we present an experimental and modeling study of GeSn/Ge quantum well (QW) photodetectors on silicon substrates for effective SRIW photodetection. Epitaxial growth of pseudomorphic GeSn/Ge QW structures was realized on Ge-buffered silicon substrates using low-temperature molecular beam epitaxy. Normal incident GeSn/Ge QW photodetectors were then fabricated and characterized. The optical responsivity experiments demonstrate that the photodetection cutoff wavelengths is extended to beyond 1800 nm, enabling effective photodetection in SWIR spectral region. We then develop theoretical models to calculate the composition-dependent strained electron band structures, oscillation strengths, and optical absorption spectra for the pseudomorphic GeSn/Ge QW structures. The results show that Ge1-xSnx well sandwiched by Ge barriers can achieve a critical type-I alignment at Γ point to provide necessary quantum confinement of carriers. With an increase in the Sn content, the band offsets between the GeSn well and Ge barreirs increases, thus enhancing the oscillation strengths of direct interband transitions. In addition, despite stronger quantum confinement with increasing Sn content, the absorption edge can be effectively shifted to longer wavelengths due to the direct bandgap reduction caused by Sn-alloying. These results suggest that GeSn/Ge QW photodetectors are promising for low-cost, high-performance SWIR photodetection applications.

  13. Electrical and Optical Characterization of Si-Ge-Sn

    DTIC Science & Technology

    2012-03-01

    found to be comparable to Ge, SiGeSn does appear to have promising uses as a photo- detector or solar cell . This is especially true if it possible...this type of efficiency , strain engineering had to be employed. Strain engineering can lead to several issues in making device quality structures...grown on Ge, Si, and GaAs substrates. Since Ge-Sn and Si-Ge-Sn are lattice matched [3] and have shown response in the entire telecom band [4], these all

  14. Ge interactions on HfO{sub 2} surfaces and kinetically driven patterning of Ge nanocrystals on HfO{sub 2}

    SciTech Connect

    Stanley, Scott K.; Joshi, Sachin V.; Banerjee, Sanjay K.; Ekerdt, John G.

    2006-01-15

    Germanium interactions are studied on HfO{sub 2} surfaces, which are prepared through physical vapor deposition (PVD) and by atomic layer deposition. X-ray photoelectron spectroscopy and temperature-programed desorption are used to follow the reactions of germanium on HfO{sub 2}. Germanium chemical vapor deposition at 870 K on HfO{sub 2} produces a GeO{sub x} adhesion layer, followed by growth of semiconducting Ge{sup 0}. PVD of 0.7 ML Ge (accomplished by thermally cracking GeH{sub 4} over a hot filament) also produces an initial GeO{sub x} layer, which is stable up to 800 K. PVD above 2.0 ML deposits semiconducting Ge{sup 0}. Temperature programed desorption experiments of {approx}1.0 ML Ge from HfO{sub 2} at 400-1100 K show GeH{sub 4} desorption below 600 K and GeO desorption above 850 K. These results are compared to Ge on SiO{sub 2} where GeO desorption is seen at 550 K. Exploiting the different reactivity of Ge on HfO{sub 2} and SiO{sub 2} allows a kinetically driven patterning scheme for high-density Ge nanoparticle growth on HfO{sub 2} surfaces that is demonstrated.

  15. 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. %.

  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. Growth and structural properties of step-graded, high Sn content GeSn layers on Ge

    NASA Astrophysics Data System (ADS)

    Aubin, J.; Hartmann, J. M.; Gassenq, A.; Rouviere, J. L.; Robin, E.; Delaye, V.; Cooper, D.; Mollard, N.; Reboud, V.; Calvo, V.

    2017-09-01

    Two approaches have been compared for the low temperature epitaxy of thick, partially relaxed GeSn layers on top of Ge strain relaxed buffers. The benefit of using step-graded instead of constant composition layers when targeting really high Sn contents (16%, here) was conclusively demonstrated. Digermane (Ge2H6) and tin-tetrachloride (SnCl4) were used as Ge and Sn precursors, respectively. The growth pressure (100 Torr) and the F(Ge2H6)/F(SnCl4) mass-flow ratio being constant, it was through a temperature lowering that the Sn concentration in the graded structure was increased. X-ray diffraction, atomic force microscopy and transmission electron microscopy were used to gain access to the Sn concentration, the strain state, the surface morphology and thicknesses of the heterostructures. Using a step-graded approach allowed us to gradually relax the strain in the GeSn layers. It helped us obtain high crystalline quality and avoid Sn segregation/precipitation for high Sn contents.

  18. 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.

  19. 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.

  20. Band alignments at strained Ge1‑x Sn x /relaxed Ge1‑y Sn y heterointerfaces

    NASA Astrophysics Data System (ADS)

    Lan, H.-S.; Liu, C. W.

    2017-04-01

    Type-I, type-II, reverse type-I, and reverse type-II band alignments are found theoretically in strained Ge1‑x Sn x (0  ⩽  x  ⩽  0.3) grown on relaxed Ge1‑y Sn y substrates (0  ⩽  y  ⩽  0.3) using the model-solid theory. The prerequisite bandgaps, and energy difference between the top valence band edge and the average valence band position of GeSn are obtained by the nonlocal empirical pseudopotential method. For the indirect-gap (L valleys) Ge1‑x Sn x on relaxed Ge1‑y Sn y , the band alignments are type-I and reverse type-I under biaxial compressive strain (x  >  y) and biaxial tensile strain (x  <  y), respectively. For the direct-gap (Γ valley) Ge1‑x Sn x on relaxed Ge1‑y Sn y , the biaxial compressive strain yields type-I and type-II alignment, while the biaxial tensile strain yields reverse type-I and reverse type-II alignments.

  1. Raman spectral shift versus strain and composition in GeSn layers with 6%-15% Sn content

    NASA Astrophysics Data System (ADS)

    Gassenq, A.; Milord, L.; Aubin, J.; Pauc, N.; Guilloy, K.; Rothman, J.; Rouchon, D.; Chelnokov, A.; Hartmann, J. M.; Reboud, V.; Calvo, V.

    2017-03-01

    GeSn alloys are the subject of intense research activities as these group IV semiconductors present direct bandgap behaviors for high Sn contents. Today, the control of strain becomes an important challenge to improve GeSn devices. Strain micro-measurements are usually performed by Raman spectroscopy. However, different relationships linking the Raman spectral shifts to the built-in strain can be found in the literature. They were deduced from studies on low Sn content GeSn layers (i.e., xSn < 8%) or on GeSiSn layers. In this work, we have calibrated the GeSn Raman relationship for really high Sn content GeSn binaries (6 < xSn < 15%). We have used fully strained GeSn layers and fully relaxed GeSn under-etched microstructures to clearly differentiate the contributions of strain and chemical composition on the Ge-Ge Raman spectral shift. We have shown that the GeSn Raman-strain coefficient for high Sn contents is higher compared with that for pure Ge.

  2. Epitaxial Technologies for SiGeSn High Performance Optoelectronic Devices

    DTIC Science & Technology

    2015-04-29

    includes i) Growth of mid-IR GeSn/SiGeSn materials using Ultra-high- vacuum Chemical Vapor Deposition , ii) In-depth characterizations of GeSn materials...for SiGeSn varies from 2% to 5%. The reciprocal space map shows that the as-grown GeSn layers are relaxed. The TEM image shows that the misfit...dislocations are localized at the interface between Si and epitaxy layer . Room temperature photoluminescence (PL) from GeSn and SiGeSn samples have

  3. Disproportionation phenomena on free and strained Sn/Ge(111) and Sn/Si(111) surfaces.

    PubMed

    Ballabio, G; Profeta, G; de Gironcoli, S; Scandolo, S; Santoro, G E; Tosatti, E

    2002-09-16

    Distortions of the sqrt[3]x sqrt[3] Sn/Ge(111) and Sn/Si(111) surfaces are shown to reflect a disproportionation of an integer pseudocharge, Q, related to the surface band occupancy. A novel understanding of the (3 x 3)-1U ("1 up, 2 down") and 2U ("2 up, 1 down") distortions of Sn/Ge(111) is obtained by a theoretical study of the phase diagram under strain. Positive strain keeps the unstrained value Q=3 but removes distortions. Negative strain attracts pseudocharge from the valence band causing first a (3 x 3)-2U distortion (Q=4) on both Sn/Ge and Sn/Si, and eventually a (sqrt[3] x sqrt[3])-3U ("all up") state with Q=6. The possibility of a fluctuating phase in unstrained Sn/Si(111) is discussed.

  4. Graphene contacts to a HfSe2/SnS2 heterostructure

    NASA Astrophysics Data System (ADS)

    Su, Shanshan; Das, Protik; Ge, Supeng; Lake, Roger K.

    2017-02-01

    Two-dimensional (2D) heterostructures and all-2D contacts are of high interest for electronic device applications, and the SnS2/HfSe2 bilayer heterostructure with graphene contacts has some unique, advantageous properties. The SnS2/HfSe2 heterostructure is interesting because of the strong intermixing of the two conduction bands and the large work function of the SnS2. The band lineup of the well separated materials indicates a type II heterostructure, but the conduction band minimum of the SnS2/HfSe2 bilayer is a coherent superposition of the orbitals from the two layers with a spectral weight of 60% on the SnS2 and 40% on the HfSe2 for AA stacking. These relative weights can be either increased or reversed by an applied vertical field. A 3 ×3 supercell of graphene and a 2 ×2 supercell of SnS2/HfSe2 have a lattice mismatch of 0.1% and both the SnS2/HfSe2 conduction band at M and the graphene Dirac point at K are zone-folded to Γ . Placing graphene on the SnS2/HfSe2 bilayer results in large n-type charge transfer doping of the SnS2/HfSe2 bilayer, on the order of 1013/cm2, and the charge transfer is accompanied by a negative Schottky barrier contact for electron injection from the graphene into the SnS2/HfSe2 bilayer conduction band. Binding energies and the anti-crossing gaps of the graphene and the SnS2/HfSe2 electronic bands both show that the coupling of graphene to the HfSe2 layer is significantly larger than its coupling to the SnS2 layer. A tunneling Hamiltonian estimate of the contact resistance of the graphene to the SnS2/HfSe2 heterostructure predicts an excellent low-resistance contact.

  5. Graphene contacts to a HfSe2/SnS2 heterostructure.

    PubMed

    Su, Shanshan; Das, Protik; Ge, Supeng; Lake, Roger K

    2017-02-14

    Two-dimensional (2D) heterostructures and all-2D contacts are of high interest for electronic device applications, and the SnS2/HfSe2 bilayer heterostructure with graphene contacts has some unique, advantageous properties. The SnS2/HfSe2 heterostructure is interesting because of the strong intermixing of the two conduction bands and the large work function of the SnS2. The band lineup of the well separated materials indicates a type II heterostructure, but the conduction band minimum of the SnS2/HfSe2 bilayer is a coherent superposition of the orbitals from the two layers with a spectral weight of 60% on the SnS2 and 40% on the HfSe2 for AA stacking. These relative weights can be either increased or reversed by an applied vertical field. A 3×3 supercell of graphene and a 2×2 supercell of SnS2/HfSe2 have a lattice mismatch of 0.1% and both the SnS2/HfSe2 conduction band at M and the graphene Dirac point at K are zone-folded to Γ. Placing graphene on the SnS2/HfSe2 bilayer results in large n-type charge transfer doping of the SnS2/HfSe2 bilayer, on the order of 10(13)/cm(2), and the charge transfer is accompanied by a negative Schottky barrier contact for electron injection from the graphene into the SnS2/HfSe2 bilayer conduction band. Binding energies and the anti-crossing gaps of the graphene and the SnS2/HfSe2 electronic bands both show that the coupling of graphene to the HfSe2 layer is significantly larger than its coupling to the SnS2 layer. A tunneling Hamiltonian estimate of the contact resistance of the graphene to the SnS2/HfSe2 heterostructure predicts an excellent low-resistance contact.

  6. 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.

  7. Chemically Resolved Structure of the Sn/Ge(111) Surface

    NASA Astrophysics Data System (ADS)

    Lee, Tien-Lin; Warren, Samantha; Cowie, Bruce C. C.; Zegenhagen, Jörg

    2006-02-01

    The structure and chemical states of the Sn/Ge(111) surface are characterized by x-ray standing waves combined with photoemission. For the room temperature 3×3 phase two chemical components, approximately 0.4 eV apart, are observed for both Sn 3d and 4d core levels. Our model-independent, x-ray standing wave analysis shows unambiguously that the two components originate from Sn adatoms located at two different heights separated vertically by 0.23 Å, in favor of a model composed of a fluctuating Sn layer. Contrary to the most accepted scenario, the stronger Sn 3d and 4d components, which appear at the lower binding-energy sides and account for 2/3 of the Sn adatoms, are identified to be associated with the higher Sn position, manifesting their filled valence state character.

  8. 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.

  9. Single layer of Ge quantum dots in HfO2 for floating gate memory capacitors.

    PubMed

    Lepadatu, A M; Palade, C; Slav, A; Maraloiu, A V; Lazanu, S; Stoica, T; Logofatu, C; Teodorescu, V S; Ciurea, M L

    2017-04-28

    High performance trilayer memory capacitors with a floating gate of a single layer of Ge quantum dots (QDs) in HfO2 were fabricated using magnetron sputtering followed by rapid thermal annealing (RTA). The layer sequence of the capacitors is gate HfO 2/floating gate of single layer of Ge QDs in HfO 2/tunnel HfO 2/p-Si wafers. Both Ge and HfO2 are nanostructured by RTA at moderate temperatures of 600-700 °C. By nanostructuring at 600 °C, the formation of a single layer of well separated Ge QDs with diameters of 2-3 nm at a density of 4-5 × 10(15) m(-2) is achieved in the floating gate (intermediate layer). The Ge QDs inside the intermediate layer are arranged in a single layer and are separated from each other by HfO2 nanocrystals (NCs) about 8 nm in diameter with a tetragonal/orthorhombic structure. The Ge QDs in the single layer are located at the crossing of the HfO2 NCs boundaries. In the intermediate layer, besides Ge QDs, a part of the Ge atoms is segregated by RTA at the HfO2 NCs boundaries, while another part of the Ge atoms is present inside the HfO2 lattice stabilizing the tetragonal/orthorhombic structure. The fabricated capacitors show a memory window of 3.8 ± 0.5 V and a capacitance-time characteristic with 14% capacitance decay in the first 3000-4000 s followed by a very slow capacitance decrease extrapolated to 50% after 10 years. This high performance is mainly due to the floating gate of a single layer of well separated Ge QDs in HfO2, distanced from the Si substrate by the tunnel oxide layer with a precise thickness.

  10. Single layer of Ge quantum dots in HfO2 for floating gate memory capacitors

    NASA Astrophysics Data System (ADS)

    Lepadatu, A. M.; Palade, C.; Slav, A.; Maraloiu, A. V.; Lazanu, S.; Stoica, T.; Logofatu, C.; Teodorescu, V. S.; Ciurea, M. L.

    2017-04-01

    High performance trilayer memory capacitors with a floating gate of a single layer of Ge quantum dots (QDs) in HfO2 were fabricated using magnetron sputtering followed by rapid thermal annealing (RTA). The layer sequence of the capacitors is gate HfO 2/floating gate of single layer of Ge QDs in HfO 2/tunnel HfO 2/p-Si wafers. Both Ge and HfO2 are nanostructured by RTA at moderate temperatures of 600-700 °C. By nanostructuring at 600 °C, the formation of a single layer of well separated Ge QDs with diameters of 2-3 nm at a density of 4-5 × 1015 m-2 is achieved in the floating gate (intermediate layer). The Ge QDs inside the intermediate layer are arranged in a single layer and are separated from each other by HfO2 nanocrystals (NCs) about 8 nm in diameter with a tetragonal/orthorhombic structure. The Ge QDs in the single layer are located at the crossing of the HfO2 NCs boundaries. In the intermediate layer, besides Ge QDs, a part of the Ge atoms is segregated by RTA at the HfO2 NCs boundaries, while another part of the Ge atoms is present inside the HfO2 lattice stabilizing the tetragonal/orthorhombic structure. The fabricated capacitors show a memory window of 3.8 ± 0.5 V and a capacitance-time characteristic with 14% capacitance decay in the first 3000-4000 s followed by a very slow capacitance decrease extrapolated to 50% after 10 years. This high performance is mainly due to the floating gate of a single layer of well separated Ge QDs in HfO2, distanced from the Si substrate by the tunnel oxide layer with a precise thickness.

  11. Low-temperature formation of GeSn nanocrystallite thin films by sputtering Ge on self-assembled Sn nanodots on SiO2/Si substrate

    NASA Astrophysics Data System (ADS)

    Chen, Ningli; Lin, Guangyang; Zhang, Lu; Li, Cheng; Chen, Songyan; Huang, Wei; Xu, Jianfang; Wang, Jianyuan

    2017-05-01

    A simple method to form GeSn nanocrystallite thin films with high Sn composition at low temperature by sputtering Ge on self-assembled Sn nanodots is proposed. During the sputtering process, Ge atoms diffuse into Sn nanodots and then nanocrystalline GeSn freezes out as temperature is above 150 °C. GeSn nanocrystallite thin films with high Sn composition of 27.3% are achieved at 150 °C and Sn composition decreases gradually with elevation of temperature. The hole mobility of the GeSn nanocrystallite thin film of 14.0 cm2·V-1·s-1 is achieved with the process temperature of less than 275 °C, which is suitable for flexible electronics.

  12. Chemical states and electronic structure of a HfO(-2) / Ge(001) interface

    SciTech Connect

    Seo, Kang-ill; McIntyre, Paul C.; Sun, Shiyu; Lee, Dong-Ick; Pianetta, Piero; Saraswat, Krishna C.; /Stanford U., Elect. Eng. Dept.

    2005-05-04

    We report the chemical bonding structure and valence band alignment at the HfO{sub 2}/Ge (001) interface by systematically probing various core level spectra as well as valence band spectra using soft x-rays at the Stanford Synchrotron Radiation Laboratory. We investigated the chemical bonding changes as a function of depth through the dielectric stack by taking a series of synchrotron photoemission spectra as we etched through the HfO{sub 2} film using a dilute HF-solution. We found that a very non-stoichiometric GeO{sub x} layer exists at the HfO{sub 2}/Ge interface. The valence band spectra near the Fermi level in each different film structure were carefully analyzed, and as a result, the valence band offset between Ge and GeO{sub x} was determined to be {Delta}E{sub v} (Ge-GeO{sub x}) = 2.2 {+-} 0.15 eV, and that between Ge and HfO{sub 2}, {Delta}E{sub v} (Ge-HfO{sub 2}) = 2.7 {+-} 0.15 eV.

  13. Temperature dependence of the quadrupole interaction of69Ge Tl and113Sn Sn

    NASA Astrophysics Data System (ADS)

    Semmler, W.; Raghavan, P.; Senba, M.; Raghavan, R. S.

    1981-03-01

    The quadrupole interaction constants of69Ge T1 and113Sn Sn were measured by means of the perturbed angular distribution technique as a function of temperature in the range of 80K≦T≦508 K and 80K≦T≦480 K, respectively. Isomeric states in69Ge and113Sn were populated by the heavy ion reactions56Fe(16O, 2 p n) and100Mo(16O, 3 n) and recoil implanted into polycrystalline Tl- and single crystalline Sn-backings. In the case of113Sn Sn, where the quadrupole coupling is weak, a special single crystal geometry was employed to enhance the sensitivity of the measurement. Within the limits of the errors the temperature dependence for both systems follows the empirical T1.5-dependence. While a strong temperature dependence comparable to In In is observed for69Ge T1, that for113Sn Sn is weaker than expected. The strength of the temperature dependence for113Sn Sn does not agree with the predictions of a lattice vibration model proposed recently for the temperature dependence of the quadrupole interaction.

  14. 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.

  15. Next Generation, Si-Compatible Materials and Devices in the Si-Ge-Sn System

    DTIC Science & Technology

    2015-10-09

    of direct-gap GeSn binaries grown on Ge buffered Si as well as light -emitting GeSiSn ternaries covering a broad band of tunable wavelengths from 1300...compounds. Emphasis was placed on the fabrication of direct-gap GeSn binaries grown on Ge buffered Si as well as light -emitting GeSiSn ternaries...Photoluminescence from Ge1-x-ySixSny, ternaries and LEDs: Synthesis of light emitting Ge1-x-ySixSny, materials with tunable wavelengths over a wide range in the

  16. Control of Ge1‑x‑y Si x Sn y layer lattice constant for energy band alignment in Ge1‑x Sn x /Ge1‑x‑y Si x Sn y heterostructures

    NASA Astrophysics Data System (ADS)

    Fukuda, Masahiro; Watanabe, Kazuhiro; Sakashita, Mitsuo; Kurosawa, Masashi; Nakatsuka, Osamu; Zaima, Shigeaki

    2017-10-01

    The energy band alignment of Ge1‑x Sn x /Ge1‑x‑y Si x Sn y heterostructures was investigated, and control of the valence band offset at the Ge1‑x Sn x /Ge1‑x‑y Si x Sn y heterointerface was achieved by controlling the Si and Sn contents in the Ge1‑x‑y Si x Sn y layer. The valence band offset in the Ge0.902Sn0.098/Ge0.41Si0.50Sn0.09 heterostructure was evaluated to be as high as 330 meV, and its conduction band offset was estimated to be 150 meV by considering the energy bandgap calculated from the theoretical prediction. In addition, the formation of the strain-relaxed Ge1‑x‑y Si x Sn y layer was examined and the crystalline structure was characterized. The epitaxial growth of a strain-relaxed Ge0.64Si0.21Sn0.15 layer with the degree of strain relaxation of 55% was examined using a virtual Ge substrate. Moreover, enhancement of the strain relaxation was demonstrated by post-deposition annealing, where a degree of strain relaxation of 70% was achieved after annealing at 400 °C. These results indicate the possibility for enhancing the indirect-direct crossover with a strained and high-Sn-content Ge1‑x Sn x layer on a strain-relaxed Ge1‑x‑y Si x Sn y layer, realizing preferable carrier confinement by type-I energy band alignment with high conduction and valence band offsets.

  17. 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.

  18. Interface traps and dangling-bond defects in (100)Ge/HfO2

    NASA Astrophysics Data System (ADS)

    Afanas'ev, V. V.; Fedorenko, Y. G.; Stesmans, A.

    2005-07-01

    Combined electrical and electron spin resonance analysis reveals dramatic differences in the interface defect properties of the (100)Ge/GeOxNy/HfO2 and (100)Ge/GeO2 interfaces from the seemingly similar interfaces of (100)Si with the HfO2 and SiO2. No dangling bond centers associated with Ge crystal surface atoms are detected. Only paramagnetic defects in the near-interfacial Ge oxide or Ge (oxy)nitride layers are observed. In contrast to the amphoteric traps related to the dangling bonds (Pb-type centers) commonly observed at the silicon/insulator interfaces, the major component of the Ge/insulator interface trap spectrum comes from slow acceptor states which show no correlation with paramagnetic centers and are resistant to passivation by hydrogen.

  19. Low-temperature synthesis of crystalline GeSn with high Sn concentration by electron excitation effect

    NASA Astrophysics Data System (ADS)

    Kimura, Toshiki; Ishimaru, Manabu; Okugawa, Masayuki; Nakamura, Ryusuke; Yasuda, Hidehiro

    2017-10-01

    The low-temperature synthesis of high-Sn-concentration GeSn is challenging in realizing flexible thin-film transistors and solar cells. Because of athermal processes, irradiation with energetic particles is anticipated to significantly reduce the processing temperature for device fabrication. Here, we demonstrated that polycrystalline Ge with ∼30 at. % Sn can be realized at room temperature by the electron-beam-induced recrystallization of amorphous GeSn. We found that inelastic electronic stopping, the so-called electron excitation effect, plays an important role in the recrystallization of amorphous GeSn.

  20. HfO2 nanocrystal memory on SiGe channel

    NASA Astrophysics Data System (ADS)

    Lin, Yu-Hsien; Chien, Chao-Hsin

    2013-02-01

    This study proposes a novel HfO2 nanocrystal memory on epi-SiGe (Ge: 15%) channel. Because SiGe has a smaller bandgap than that of silicon, it increases electron/hole injection and the enhances program/erase speeds. This study compares the characteristics of HfO2 nanocrystal memories with different oxynitride tunnel oxide thicknesses on Si and epi-SiGe substrate. Results show that the proposed nonvolatile memory possesses superior characteristics in terms of considerably large memory window for two-bits operation, high speed program/erase for low power applications, long retention time, excellent endurance, and strong immunity to disturbance.

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

    PubMed

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

    2016-09-30

    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.

  2. 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

  3. Hf{sub 3}Fe{sub 4}Sn{sub 4} and Hf{sub 9}Fe{sub 4−x}Sn{sub 10+x}: Two stannide intermetallics with low-dimensional iron sublattices

    SciTech Connect

    Calta, Nicholas P.; Kanatzidis, Mercouri G.

    2016-04-15

    This article reports two new Hf-rich intermetallics synthesized using Sn flux: Hf{sub 3}Fe{sub 4}Sn{sub 4} and Hf{sub 9}Fe{sub 4−x}Sn{sub 10+x}. Hf{sub 3}Fe{sub 4}Sn{sub 4} adopts an ordered variant the Hf{sub 3}Cu{sub 8} structure type in orthorhombic space group Pnma with unit cell edges of a=8.1143(5) Å, b=8.8466(5) Å, and c=10.6069(6) Å. Hf{sub 9}Fe{sub 4−x}Sn{sub 10+x}, on the other hand, adopts a new structure type in Cmc2{sub 1} with unit cell edges of a=5.6458(3) Å, b=35.796(2) Å, and c=8.88725(9) Å for x=0. It exhibits a small amount of phase width in which Sn substitutes on one of the Fe sites. Both structures are fully three-dimensional and are characterized by pseudo one- and two-dimensional networks of Fe–Fe homoatomic bonding. Hf{sub 9}Fe{sub 4−x}Sn{sub 10+x} exhibits antiferromagnetic order at T{sub N}=46(2) K and its electrical transport behavior indicates that it is a normal metal with phonon-dictated resistivity. Hf{sub 3}Fe{sub 4}Sn{sub 4} is also an antiferromagnet with a rather high ordering temperature of T{sub N}=373(5) K. Single crystal resistivity measurements indicate that Hf{sub 3}Fe{sub 4}Sn{sub 4} behaves as a Fermi liquid at low temperatures, indicating strong electron correlation. - Graphical abstract: Slightly different growth conditions in Sn flux produce two new intermetallic compounds: Hf{sub 3}Fe{sub 4}Sn{sub 4} and Hf{sub 9}Fe{sub 4−x}Sn{sub 10+x}. - Highlights: • Single crystals of both Hf{sub 3}Fe{sub 4}Sn{sub 4} and Hf{sub 9}Fe{sub 4−x}Sn{sub 10+x} were grown using Sn flux. • The crystal structures were determined using single crystal X-ray diffraction. • The Fe moments in Hf{sub 3}Fe{sub 4}Sn{sub 4} display AFM order below T{sub N}=373 K. • The Fe moments in Hf{sub 9}Fe{sub 4−x}Sn{sub 10+x} display AFM order below T{sub N}=46 K.

  4. 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.

  5. 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.

  6. 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.

  7. Strong quantum-confined Stark effect in a lattice-matched GeSiSn/GeSn multi-quantum-well structure

    NASA Astrophysics Data System (ADS)

    Peng, Ruizhi; Chunfuzhang; Han, Genquan; Hao, Yue

    2017-06-01

    This paper presents modeling and simulation of a multiple quantum well structure formed with Ge0.95Sn0.05 quantum wells separated by Ge0.51Si0.35Sn0.14 barriers for the applications. These alloy compositions are chosen to satisfy two conditions simultaneously: type-I band alignment between Ge0.95Sn0.05/Ge0.51Si0.35Sn0.14 and a lattice match between wells and barriers. This lattice match ensures that the strain-free structure can be grown upon a relaxed Ge0.51Si0.35Sn0.14 buffer on a silicon substrate - a CMOS compatible process. A electro-absorption modulator with the Ge0.95Sn0.05/Ge0.51Si0.35Sn0.14 multiple quantum well structure based on quantum-confined Stark effect(QCSE) is demonstrated in theory. The energy band diagrams of the GeSiSn/GeSn multi-quantum-well structure at 0 and 0.5V bias are calculated, respectively. And the corresponding absorption coefficients as a function of cut-off energy for this multiple quantum well structure at 0 and 0.5Vbias are also obtained, respectively. The reduction of cut-off energy is observed with the applying of the external electric field, indicating a strong QCSE in the structure.

  8. Structural degradation of thin HfO2 film on Ge during the postdeposition annealing

    NASA Astrophysics Data System (ADS)

    Miyata, Noriyuki; Yasuda, Tetsuji; Abe, Yasuhiro

    2010-05-01

    Securing the thermal robustness of thin hafnium oxide (HfO2) film on the semiconductor surface is an important technical issue in the fabrication of the metal-oxide-semiconductor field-effect transistor devices, as the HfO2-based high-k gate stacks usually undergo high-temperature processes. In this study, the structural development of thin HfO2 film on a Ge surface during postdeposition annealing in an ultrahigh vacuum was examined to explore the origin for the initial degradation of thin HfO2 film. Void nucleation and subsequent two-dimensional void growth take place at 780-840 °C, while the chemical composition of the remaining Hf oxide is virtually stable. Both the void nucleation and growth processes show similar larger activation energy of about 10 eV. Based on the observed manner of void growth and the estimated activation energies, the authors propose that mass transport on the HfO2 surface is responsible for void nucleation in the HfO2 films on Ge. The authors also compare the present results with the previous studies on HfO2/Si structures, and suggest that similar surface process leads to the local Hf silicidation.

  9. 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.

  10. 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

  11. 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.

  12. 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

    2016-06-02

    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.

  13. 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.

  14. 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.

  15. Ge{sub 0.83}Sn{sub 0.17} p-channel metal-oxide-semiconductor field-effect transistors: Impact of sulfur passivation on gate stack quality

    SciTech Connect

    Lei, Dian; Wang, Wei; Gong, Xiao E-mail: yeo@ieee.org; Liang, Gengchiau; Yeo, Yee-Chia E-mail: yeo@ieee.org; Zhang, Zheng; Pan, Jisheng; Tok, Eng-Soon

    2016-01-14

    The effect of room temperature sulfur passivation of the surface of Ge{sub 0.83}Sn{sub 0.17} prior to high-k dielectric (HfO{sub 2}) deposition is investigated. X-ray photoelectron spectroscopy (XPS) was used to examine the chemical bonding at the interface of HfO{sub 2} and Ge{sub 0.83}Sn{sub 0.17}. 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 Ge{sub 0.83}Sn{sub 0.17} 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 D{sub it} at the high-k dielectric/Ge{sub 0.83}Sn{sub 0.17} interface from the valence band edge to the midgap of Ge{sub 0.83}Sn{sub 0.17}, as compared with a non-passivated control. The impact of the improved D{sub it} is demonstrated in Ge{sub 0.83}Sn{sub 0.17} p-channel metal-oxide-semiconductor field-effect transistors (p-MOSFETs). Ge{sub 0.83}Sn{sub 0.17} p-MOSFETs with sulfur passivation show improved subthreshold swing S, intrinsic transconductance G{sub m,int}, and effective hole mobility μ{sub eff} as compared with the non-passivated control. At a high inversion carrier density N{sub inv} of 1 × 10{sup 13 }cm{sup −2}, sulfur passivation increases μ{sub eff} by 25% in Ge{sub 0.83}Sn{sub 0.17} p-MOSFETs.

  16. Sn-based waveguide p-i-n photodetector with strained GeSn/Ge multiple-quantum-well active layer.

    PubMed

    Huang, Yu-Hui; Chang, Guo-En; Li, Hui; Cheng, H H

    2017-05-01

    We report on Sn-based p-i-n waveguide photodetectors (WGPD) with a pseudomorphic GeSn/Ge multiple-quantum-well (MQW) active layer on a Ge-buffered Si substrate. A reduced dark-current density of 59  mA/cm2 was obtained at a reverse bias of 1 V due to the suppressed strain relaxation in the GeSn/Ge active layer. Responsivity experiments revealed an extended photodetection range covering the O, E, S, C, and L telecommunication bands completely due to the bandgap reduction resulting from Sn-alloying. Band structure analysis of the pseudomorphic GeSn/Ge quantum well structures indicated that, despite the stronger quantum confinement, the absorption edge can be shifted to longer wavelengths by increasing the Sn content, thereby enabling efficient photodetection in the infrared region. These results demonstrate the feasibility of using GeSn/Ge MQW planar photodetectors as building blocks of electronic-photonic integrated circuits for telecommunication and optical interconnection applications.

  17. GeSn-on-insulator substrate formed by direct wafer bonding

    SciTech Connect

    Lei, Dian; Wang, Wei; Gong, Xiao E-mail: yeo@ieee.org; Yeo, Yee-Chia E-mail: yeo@ieee.org; Lee, Kwang Hong; Wang, Bing; Bao, Shuyu; Tan, Chuan Seng

    2016-07-11

    GeSn-on-insulator (GeSnOI) on Silicon (Si) substrate was realized using direct wafer bonding technique. This process involves the growth of Ge{sub 1-x}Sn{sub x} layer on a first Si (001) substrate (donor wafer) followed by the deposition of SiO{sub 2} on Ge{sub 1-x}Sn{sub x}, the bonding of the donor wafer to a second Si (001) substrate (handle wafer), and removal of the Si donor wafer. The GeSnOI material quality is investigated using high-resolution transmission electron microscopy, high-resolution X-ray diffraction (HRXRD), atomic-force microscopy, Raman spectroscopy, and spectroscopic ellipsometry. The Ge{sub 1-x}Sn{sub x} layer on GeSnOI substrate has a surface roughness of 1.90 nm, which is higher than that of the original Ge{sub 1-x}Sn{sub x} epilayer before transfer (surface roughness is 0.528 nm). The compressive strain of the Ge{sub 1-x}Sn{sub x} film in the GeSnOI is as low as 0.10% as confirmed using HRXRD and Raman spectroscopy.

  18. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2015-10-01

    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 MoS2 and GaSe, and bulk quartz and AlN which are widely used in industry. This enhancement is a result of the unique "puckered" C2v 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.

  20. Fermi Surfaces and Energy Gaps in Sn/Ge(111)

    NASA Astrophysics Data System (ADS)

    Chiang, T.-C.

    2001-03-01

    The recent discovery of a charge-density-wave (CDW) transition in 1/3-monolayer Sn on Ge(111) has stimulated much interest. An intriguing aspect of this transition is the coexistence of phases over a wide temperature range, which is a basic hallmark for a broad class of complex functional materials, including high temperature superconductors, relaxor ferroelectrics, and colossal magnetoresistive materials. The Sn/Ge surface exhibits a (root 3)x(root 3)R30 reconstruction at room temperature. Each Sn adatom is three-fold coordinated. This leaves an electron in a dangling bond, giving rise to a half-filled surface band. As the temperature is lowered below 210 K, the system transforms gradually and becomes a fully developed (3x3) CDW phase below 100 K. Such CDW transitions are usually driven by electron-phonon coupling enhanced by Fermi surface nesting, but calculations for Sn/Ge have indicated no nesting. Alternative models that have been put forth include rehybridization, order-disorder transition, dynamic fluctuation, and strong electron correlation. Related to this debate is the question whether the (3x3) surface is metallic, semiconducting, or insulating with a correlation gap. A key issue often neglected in previous studies is that the system inevitably contains defects that are Ge atoms substituting for Sn atoms in the top layer. As revealed by STM, they induce a CDW phase in surrounding areas in an otherwise (root 3)x(root 3)R30 surface at room temperature. We have performed angle-resolved photoemission measurements of the valence structure, with a focus on the (3x3) zone boundary. Despite the lack of nesting as noted above, a gap opening is seen all around the (3x3) zone boundary. Taking into account the mixed phase at room temperature, the results yield band dispersions in excellent agreement with theory. A highly sensitive electronic response to doping by intrinsic surface defects is the cause for this unusual behavior, and a detailed calculation illustrates

  1. Hf 3 Fe 4 Sn 4 and Hf 9 Fe 4-x Sn 10+x : Two stannide intermetallics with low-dimensional iron sublattices

    SciTech Connect

    Calta, Nicholas P.; Kanatzidis, Mercouri G.

    2016-04-01

    This article reports two new Hf-rich intermetallics synthesized using Sn flux: Hf3Fe4Sn4 and Hf9Fe4-xSn10+x. Hf3Fe4Sn4 adopts an ordered variant the Hf3Cu8 structure type in orthorhombic space group Pnma with unit cell edges of a=8.1143(5) Å, b=8.8466(5) Å, and c=10.6069(6) Å. Hf9Fe4-xSn10+x, on the other hand, adopts a new structure type in Cmc21 with unit cell edges of a=5.6458(3) Å, b=35.796(2) Å, and c=8.88725(9) Å for x=0. It exhibits a small amount of phase width in which Sn substitutes on one of the Fe sites. Both structures are fully three-dimensional and are characterized by pseudo one- and two-dimensional networks of Fe–Fe homoatomic bonding. Hf9Fe4-xSn10+x exhibits antiferromagnetic order at TN=46(2) K and its electrical transport behavior indicates that it is a normal metal with phonon-dictated resistivity. Hf3Fe4Sn4 is also an antiferromagnet with a rather high ordering temperature of TN=373(5) K. Single crystal resistivity measurements indicate that Hf3Fe4Sn4 behaves as a Fermi liquid at low temperatures, indicating strong electron correlation.

  2. Sn-based Ge/Ge0.975Sn0.025/Ge p-i-n photodetector operated with back-side illumination

    NASA Astrophysics Data System (ADS)

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

    2016-04-01

    We report an investigation of a GeSn-based p-i-n photodetector grown on a Ge wafer that collects light signal from the back of the wafer. Temperature dependent absorption measurements performed over a wide temperature range (300 K down to 25 K) show that (a) absorption starts at the indirect bandgap of the active GeSn layer and continues up to the direct bandgap of the Ge wafer, and (b) the peak responsivity increases rapidly at first with decreasing temperature, then increases more slowly, followed by a decrease at the lower temperatures. The maximum responsivity happens at 125 K, which can easily be achieved with the use of liquid nitrogen. The temperature dependence of the photocurrent is analyzed by taking into consideration of the temperature dependence of the electron and hole mobility in the active layer, and the analysis result is in reasonable agreement with the data in the temperature regime where the rapid increase occurs. This investigation demonstrates the feasibility of a GeSn-based photodiode that can be operated with back-side illumination for applications in image sensing systems.

  3. Sn-based Ge/Ge{sub 0.975}Sn{sub 0.025}/Ge p-i-n photodetector operated with back-side illumination

    SciTech Connect

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

    2016-04-11

    We report an investigation of a GeSn-based p-i-n photodetector grown on a Ge wafer that collects light signal from the back of the wafer. Temperature dependent absorption measurements performed over a wide temperature range (300 K down to 25 K) show that (a) absorption starts at the indirect bandgap of the active GeSn layer and continues up to the direct bandgap of the Ge wafer, and (b) the peak responsivity increases rapidly at first with decreasing temperature, then increases more slowly, followed by a decrease at the lower temperatures. The maximum responsivity happens at 125 K, which can easily be achieved with the use of liquid nitrogen. The temperature dependence of the photocurrent is analyzed by taking into consideration of the temperature dependence of the electron and hole mobility in the active layer, and the analysis result is in reasonable agreement with the data in the temperature regime where the rapid increase occurs. This investigation demonstrates the feasibility of a GeSn-based photodiode that can be operated with back-side illumination for applications in image sensing systems.

  4. 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.

  5. Current mechanism and band alignment of Al (Pt)/HfGdO/Ge capacitors

    NASA Astrophysics Data System (ADS)

    Junjun, Yuan; Zebo, Fang; Yanyan, Zhu; Bo, Yao; Shiyan, Liu; Gang, He; Yongsheng, Tan

    2016-03-01

    HfGdO high-k gate dielectric thin films were deposited on Ge substrates by radio-frequency magnetron sputtering. The current transport properties of Al(Pt)/HfGdO/Ge MOS structures were investigated at room temperature. The results show that the leakage currents are mainly induced by Frenkel-Poole emissions at a low electric field. At a high electric field, Fowler Nordheim tunneling dominates the current. The energy barriers were obtained by analyzing the Fowler Nordheim tunneling characteristics, which are 1.62 eV and 2.77 eV for Al/HfGdO and Pt/HfGdO, respectively. The energy band alignments for metal/HfGdO/Ge capacitors are summarized together with the results of current-voltage and the x-ray photoelectron spectroscopy. Project supported by the Natural Science Foundation of Shanghai (No. 15ZR1418700), the Natural Science Foundation of China (Nos. 51272159, 61405118), and the Natural Science Foundation of Zhejiang (Nos. LY15A040001, LQ13A040004).

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

    SciTech Connect

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

    2016-06-27

    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 Ge{sub 1−x}Sn{sub x} (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.

  7. Four high-temperature ferromagnets in the Hf-Fe-Sn system.

    SciTech Connect

    Calta, Nicholas P.; Francisco, Melanie C.; Malliakas, Christos D.; Schlueter, John A.; Kanatzidis, Mercouri G.

    2014-12-09

    We report the synthesis and characterization of four new ferromagnetic compounds discovered using Sn flux: Hf1.823(16)Fe5Sn3.815(14), HfFe2-xSnx, and two polymorphs of Hf1-xFe2Snx. All are closely related to HfFe2 Laves phase parent structures. HfFe2-xSnx (x approximate to 0.3-0.4) adopts the MgZn2-type (C14) crystal structure, whereas Hf1-xFe2Snx (x approximate to 0.1-0.4) adopts both the MgCu2-type (C15), and MgNi2-type (C36) structures. They crystallize in P6(3)/mmc, Fd3m, and P6(3)/mmc, respectively, with measured unit-cell parameters of a = 4.9238(7) angstrom and c = 7.9643(12) angstrom; a = 7.068(2) angstrom; and a = 4.9944(4) angstrom and c = 16.2604(15) angstrom, although phase width leads to a range of unit cell edge lengths. Hf1.823(16)Fe5Sn3.815(14) adopts a more complicated, incommensurately modulated structure in the superspace group Xmmm(00 gamma)000 with an orthorhombic subcell a = 9.7034(12) angstrom, b = 16.823(2) angstrom, and c = 8.4473(10) angstrom, three centering vectors of (1/2 0 0 1/2), (0 1/2 0 1/2), and (1/2 1/2 0 0), and a single-component modulation vector q = 0.2768(8)c*. The structure is composed of alternating slabs of the Fe-bonded Kagome nets observed in the HfFe2 parent structures alternated with Sn-rich Th2Zn17-type slabs, with Hf atoms primarily occurring at the interfaces between the slabs. All four compounds are ferromagnetic metals at room temperature, with Curie temperatures ranging from 467(2) to 658(2) K. Their coercive fields are remarkably low, between 2(1) and 15(2) Oe. Interestingly, in two of three cases the addition of nonmagnetic Sn atoms in place of magnetic Hf or Fe atoms in the HfFe2 structure seems to strengthen rather than weaken magnetic coupling and increase TC. Fits to electrical resistivity data for the compound suggest that electron scattering in the Laves phase polymorphs shows substantial contributions from electron-magnon and/or electron-electron scattering, while the electrical behavior of Hf1.823(16)Fe

  8. GeO{sub x} interfacial layer scavenging remotely induced by metal electrode in metal/HfO{sub 2}/GeO{sub x}/Ge capacitors

    SciTech Connect

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

    2016-07-11

    The metal gate electrodes of Ni, W, and Pt have been investigated for their scavenging effect: a reduction of the GeO{sub x} interfacial layer (IL) between HfO{sub 2} dielectric and Ge substrate in metal/HfO{sub 2}/GeO{sub x}/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 GeO{sub x} 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 GeO{sub x} 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/HfO{sub 2} interface.

  9. First-principles study of SO2 sensors based on phosphorene and its isoelectronic counterparts: GeS, GeSe, SnS, SnSe

    NASA Astrophysics Data System (ADS)

    Guo, Shiying; Yuan, Lu; Liu, Xuhai; Zhou, Wenhan; Song, Xiufeng; Zhang, Shengli

    2017-10-01

    Phosphorene and its isoelectronic counterparts, such as GeS, GeSe, SnS and SnSe monolayers, show great potential in electrical and sensing applications. Here, we study the SO2 sensing properties of phosphorene and its isoelectronic counterparts by first-principles calculations. Results predict that the SO2 molecule as electron acceptor holds high adsorption strength with the five monolayer substrates, especially for SnS and SnSe monolayers. Moreover, the electronic properties of the five substrates can be modified by the SO2 molecule, together with distinct charge transfer, rendering them promising for application as a high-performance gas sensor.

  10. X-ray diffraction simulation of GeSn/Ge multi-quantum wells with kinematic approach

    NASA Astrophysics Data System (ADS)

    Li, Hui; Chang, Chiao; Cheng, Hung-Hsiang

    2017-06-01

    We report an investigation on X-ray diffraction simulation of GeSn/Ge Multi-quantum wells (MQWs) with kinematic approach. X-ray diffraction in (004) ω-2θ scan and (224) reciprocal space mapping are performed for characterization of the MQWs. However, simulation of the diffraction process is imperative for further structural analysis of the MQWs. The compressive strain not only affects the calculation of Sn composition in GeSn wells, but also dramatically affects the symmetry of satellite peaks.

  11. 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.

  12. 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.

  13. Numerical calculation of strain-N+-Ge1- x Sn x /P+-δGe1- x Sn x /N--Ge1- y - z Si y Sn z /P+-Ge1- y - z Si y Sn z heterojunction tunnel field-effect transistor

    NASA Astrophysics Data System (ADS)

    Wang, Suyuan; Zheng, Jun; Xue, Chunlai; Li, Chuanbo; Zuo, Yuhua; Cheng, Buwen; Wang, Qiming

    2017-05-01

    In this work, we present a theoretical calculation of the insertion of a δ-doping layer in double gate N+-Ge1- x Sn x /N-Ge1- y - z Si y Sn z /P+-Ge1- y - z Si y Sn z heterojunction p-type tunnel field-effect transistors (PTFETs) by semiconductor device simulation. The compositions of Ge1- x Sn x and Ge1- y - z Si y Sn z and the optimization of the δ-layer are analyzed in detail. It is shown that the use of narrow-bandgap Ge1- x Sn x in the source region and large-bandgap Ge1- y - z Si y Sn z in the drain region is favorable for increasing the on-state current (I ON) and suppressing the ambipolar effect. The P+ δ-layer in the Ge1- x Sn x considerably improves the PTFET performance compared with other structures. The best I ON of 69.56 µA/µm and the subthreshold swing (SS) of 22 mV/dec were achieved at a low applied voltage of -0.5 V.

  14. Compositional dependence of optical interband transition energies in GeSn and GeSiSn alloys

    NASA Astrophysics Data System (ADS)

    Xu, Chi; Senaratne, Charutha L.; Kouvetakis, John; Menéndez, José

    2015-08-01

    The dielectric functions of GeSn and GeSiSn alloys were measured in the 1-6 eV energy range using spectroscopic ellipsometry. The contributions from the E1, E1 + Δ1, E0‧, E2, and E1‧ critical points in the joint density of electronic states were enhanced by computing numerical second derivatives of the measured dielectric function, and the resulting lineshapes were fitted with model expressions from which the critical point energies, amplitudes, broadenings, and phases were determined. A detailed analysis of the compositional dependence of the different transition energies is presented. By describing this dependence in terms of quadratic polynomials, the bowing parameter (quadratic coefficient) for each transition is determined. It is shown that the bowing parameters in the ternary alloy follow a distinct chemical trend, in which the ternary is well described in terms of bowing parameters for the underlying binary alloys, and these bowing parameters increase as a function of the size and electronegativity mismatch of the alloy constituents.

  15. Photoconductivity of ultra-thin Ge(GeSn) layers grown in Si by low-temperature molecular beam epitaxy

    SciTech Connect

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

    2016-04-07

    Photoconductivity (PC) spectra of Si/Ge(GeSn)/Si structures with the ultra-thin (1.0–2.3 nm) Ge and GeSn alloy layers grown by the low-temperature (T = 100 °C) molecular beam epitaxy are studied. Photoresponse in the range of 1.2–0.4 eV related to light absorption in the buried Ge(GeSn) layer is observed. It is shown that in case of lateral PC, a simple diffusion model can be used to determine the absorption coefficient of this layer α ∼ 10{sup 5 }cm{sup −1}. This value is 100 times larger than that of a single Ge quantum dot layer and is reached significantly above the band gap of most bulk semiconductors. The observed absorption is caused by optical transitions between electron and hole states localized at the interfaces. The anomalous high value of α can be explained by the unusual state of Ge(GeSn) layer with high concentration of dangling bonds, the optical properties of which have been predicted theoretically by Knief and von Niessen (Phys. Rev. B 59, 12940 (1999)).

  16. As doping of Si-Ge-Sn epitaxial semiconductor materials on a commercial CVD reactor

    NASA Astrophysics Data System (ADS)

    Bhargava, Nupur; Margetis, Joe; Tolle, John

    2017-09-01

    In this work we present the As doping, via AsH3, of Ge1-x Sn x and SiyGe1-y-x Sn x alloys grown in a commercial RPCVD reactor. The composition, thickness, and resistivity of the layers were measured for varying AsH3 flows and AsH3 growth kinetics was discussed. We find that the addition of As to the lattice induces compressive strain in the layer despite a smaller covalent radius relative to Ge and Sn. N-type dopant incorporation and activation is compared for AsH3 and PH3-based processes, and we find that As incorporates more efficiently than P. As concentrations > 2 × 1020 cm-3 were achieved for both Ge1-x Sn x and SiyGe1-y-x Sn x with resistivity as low as 0.6 mΩ cm.

  17. Observation of field emission from GeSn nanoparticles epitaxially grown on silicon nanopillar arrays

    NASA Astrophysics Data System (ADS)

    Di Bartolomeo, Antonio; Passacantando, Maurizio; Niu, Gang; Schlykow, Viktoria; Lupina, Grzegorz; Giubileo, Filippo; Schroeder, Thomas

    2016-12-01

    We apply molecular beam epitaxy to grow GeSn-nanoparticles on top of Si-nanopillars patterned onto p-type Si wafers. We use x-ray photoelectron spectroscopy to confirm a metallic behavior of the nanoparticle surface due to partial Sn segregation as well as the presence of a superficial Ge oxide. We report the observation of stable field emission (FE) current from the GeSn-nanoparticles, with turn on field of 65 {{V}} μ {{{m}}}-{{1}} and field enhancement factor β ˜ 100 at anode-cathode distance of ˜0.6 μm. We prove that FE can be enhanced by preventing GeSn nanoparticles oxidation or by breaking the oxide layer through electrical stress. Finally, we show that GeSn/p-Si junctions have a rectifying behavior.

  18. Defect-free high Sn-content GeSn on insulator grown by rapid melting growth

    PubMed Central

    Liu, Zhi; Cong, Hui; Yang, Fan; Li, Chuanbo; Zheng, Jun; Xue, Chunlai; Zuo, Yuhua; Cheng, Buwen; Wang, Qiming

    2016-01-01

    GeSn is an attractive semiconductor material for Si-based photonics. However, large lattice mismatch between GeSn and Si and the low solubility of Sn in Ge limit its development. In order to obtain high Sn-content GeSn on Si, it is normally grown at low temperature, which would lead to inevitable dislocations. Here, we reported a single-crystal defect-free graded GeSn on insulator (GSOI) stripes laterally grown by rapid melting growth (RMG). The Sn-content reaches to 14.2% at the end of the GSOI stripe. Transmission electron microscopy observation shows the GSOI stripe without stacking fault and dislocations. P-channel pseudo metal-oxide-semiconductor field effect transistors (MOSFETs) and metal-semiconductor-metal (MSM) Schottky junction photodetectors were fabricated on these GSOIs. Good transistor performance with a low field peak hole mobility of 402 cm2/Vs is obtained, which indicates a high-quality of this GSOI structure. Strong near-infrared and short-wave infrared optical absorption of the MSM photodetectors at 1550 nm and 2000 nm were observed. Owing to high Sn-content and defect-free, responsivity of 236 mA/W@-1.5 V is achieved at 1550 nm wavelength. In addition, responsivity reaches 154 mA/W@-1.5 V at 2000 nm with the optical absorption layer only 200 nm-thick, which is the highest value reported for GeSn junction photodetectors until now. PMID:27941825

  19. Defect-free high Sn-content GeSn on insulator grown by rapid melting growth

    NASA Astrophysics Data System (ADS)

    Liu, Zhi; Cong, Hui; Yang, Fan; Li, Chuanbo; Zheng, Jun; Xue, Chunlai; Zuo, Yuhua; Cheng, Buwen; Wang, Qiming

    2016-12-01

    GeSn is an attractive semiconductor material for Si-based photonics. However, large lattice mismatch between GeSn and Si and the low solubility of Sn in Ge limit its development. In order to obtain high Sn-content GeSn on Si, it is normally grown at low temperature, which would lead to inevitable dislocations. Here, we reported a single-crystal defect-free graded GeSn on insulator (GSOI) stripes laterally grown by rapid melting growth (RMG). The Sn-content reaches to 14.2% at the end of the GSOI stripe. Transmission electron microscopy observation shows the GSOI stripe without stacking fault and dislocations. P-channel pseudo metal-oxide-semiconductor field effect transistors (MOSFETs) and metal-semiconductor-metal (MSM) Schottky junction photodetectors were fabricated on these GSOIs. Good transistor performance with a low field peak hole mobility of 402 cm2/Vs is obtained, which indicates a high-quality of this GSOI structure. Strong near-infrared and short-wave infrared optical absorption of the MSM photodetectors at 1550 nm and 2000 nm were observed. Owing to high Sn-content and defect-free, responsivity of 236 mA/W@-1.5 V is achieved at 1550 nm wavelength. In addition, responsivity reaches 154 mA/W@-1.5 V at 2000 nm with the optical absorption layer only 200 nm-thick, which is the highest value reported for GeSn junction photodetectors until now.

  20. Optical, vibrational, and structural properties of GeSn alloys on Si

    NASA Astrophysics Data System (ADS)

    Zollner, S.; Edwards, N. V.; Duda, E.; Tolle, J.; Taraci, J.; McCartney, M. R.; Menendez, J.; Wolf, G.; Smith, D. J.; Kouvetakis, J.

    2002-03-01

    UHV-CVD growth based on a deuterium-stabilized Sn hydride and digermane produces Ge-Sn alloys with tunable band gaps and potential applications in infrared optoelectronics. Metastable alloys of Ge-Sn are created on Si (001) and exhibit superior thermal stability and crystallinity despite the 17% lattice mismatch between the constituent elements. Composition, crystal and electronic structure, and optical and vibrational properties are characterized by Rutherford backscattering, low-energy SIMS, high resolution TEM, x-ray diffraction, as well as Raman, ellipsometry, and infrared spectroscopies. Electron diffraction reveals epitaxial layers with lattice constants between those of Ge and Sn. X-ray diffraction shows well defined (002n) Bragg reflections, and rocking curves indicate a tightly aligned spread of the crystal mosaics. The Raman spectra show Ge-Ge and Sn-Ge vibrations with frequencies consistent with random tetrahedral alloys. Resonance Raman spectra indicate a E1 band gap reduction relative to Ge, consistent with a decrease of the E2 critical point seen in spectroscopic ellipsometry. Infrared transmission spectra of the GeSn films on Si indicate an increase of the absorption with increasing Sn content, consistent with a decrease of the direct gap.

  1. Synthesis and fundamental properties of stable Ph(3)SnSiH(3) and Ph(3)SnGeH(3) hydrides: model compounds for the design of Si-Ge-Sn photonic alloys.

    PubMed

    Tice, Jesse B; Chizmeshya, Andrew V G; Groy, Thomas L; Kouvetakis, John

    2009-07-06

    The compounds Ph(3)SnSiH(3) and Ph(3)SnGeH(3) (Ph = C(6)H(5)) have been synthesized as colorless solids containing Sn-MH(3) (M = Si, Ge) moieties that are stable in air despite the presence of multiple and highly reactive Si-H and Ge-H bonds. These molecules are of interest since they represent potential model compounds for the design of new classes of IR semiconductors in the Si-Ge-Sn system. Their unexpected stability and high solubility also makes them a safe, convenient, and potentially useful delivery source of -SiH(3) and -GeH(3) ligands in molecular synthesis. The structure and composition of both compounds has been determined by chemical analysis and a range of spectroscopic methods including multinuclear NMR. Single crystal X-ray structures were determined and indicated that both compounds condense in a Z = 2 triclinic (P1) space group with lattice parameters (a = 9.7754(4) A, b = 9.8008(4) A, c = 10.4093(5) A, alpha = 73.35(10)(o), beta = 65.39(10)(o), gamma = 73.18(10)(o)) for Ph(3)SnSiH(3) and (a = 9.7927(2) A, b = 9.8005(2) A, c = 10.4224(2) A, alpha = 74.01(3)(o), beta = 65.48(3)(o), gamma = 73.43(3)(o)) for Ph(3)SnGeH(3). First principles density functional theory simulations are used to corroborate the molecular structures of Ph(3)SnSiH(3) and Ph(3)SnGeH(3), gain valuable insight into the relative stability of the two compounds, and provide correlations between the Si-Sn and Ge-Sn bonds in the molecules and those in tetrahedral Si-Ge-Sn solids.

  2. Electrical characterization of SiGeSn grown on Ge substrate using ultra high vacuum chemical vapor deposition

    NASA Astrophysics Data System (ADS)

    Ahoujja, Mo; Kang, S.; Hamilton, M.; Yeo, Y. K.; Kouvetakis, J.; Menendez, J.

    2012-02-01

    There has been recently considerable interest in growing SiyGe1-x-ySnx alloys for the fabrication of photonic devices that could be integrated with Si technologies. We report temperature dependent Hall (TDH) measurements of the hole concentration and mobility from high quality p-type doped Si0.08Ge0.90Sn0.02 layers grown on p-type doped Ge substrates using ultra high vacuum chemical vapor deposition. The TDH measurements show the hole sheet density remains constant at low temperatures before slightly decreasing and dipping at ˜ 125 K. It then exponentially increases with temperature due to the activation of shallow acceptors. At temperatures above ˜ 450 K, the hole sheet density increases sharply indicating the onset of intrinsic conduction in the SiGeSn and/or Ge layers. To extract the electrical properties of the SiGeSn layer alone, a parametric fit using a multi layer conducting model is applied to the measured hole concentration and mobility data. The analysis yields boron and gallium doping concentrations of 3x10^17 cm-3 and 1x10^18 cm-3 with activation energies of 10 meV and 11 meV for the SiGeSn layer and Ge substrate, respectively. Furthermore, a temperature independent hole sheet concentration of ˜5x10^15 cm-2 with a mobility of ˜250 cm^2/Vs, which is believed to be due to an interfacial layer between the SiGeSn layer and the Ge substrate, is also determined.

  3. GeSn-based p-i-n photodiodes with strained active layer on a Si wafer

    NASA Astrophysics Data System (ADS)

    Tseng, H. H.; Li, H.; Mashanov, V.; Yang, Y. J.; Cheng, H. H.; Chang, G. E.; Soref, R. A.; Sun, G.

    2013-12-01

    We report an investigation of GeSn-based p-i-n photodiodes with an active GeSn layer that is almost fully strained. The results show that (a) the response of the Ge/GeSn/Ge heterojunction photodiodes is stronger than that of the reference Ge-based photodiodes at photon energies above the 0.8 eV direct bandgap of bulk Ge (<1.55 μm), and (b) the optical response extends to lower energy regions (1.55-1.80 μm wavelengths) as characterized by the strained GeSn bandgap. A cusp-like spectral characteristic is observed for samples with high Sn contents, which is attributed to the significant strain-induced energy splitting of heavy and light hole bands. This work represents a step forward in developing GeSn-based infrared photodetectors.

  4. GeSn-based p-i-n photodiodes with strained active layer on a Si wafer

    SciTech Connect

    Tseng, H. H.; Li, H.; Mashanov, V.; Yang, Y. J.; Cheng, H. H.; Chang, G. E.; Soref, R. A.; Sun, G.

    2013-12-02

    We report an investigation of GeSn-based p-i-n photodiodes with an active GeSn layer that is almost fully strained. The results show that (a) the response of the Ge/GeSn/Ge heterojunction photodiodes is stronger than that of the reference Ge-based photodiodes at photon energies above the 0.8 eV direct bandgap of bulk Ge (<1.55 μm), and (b) the optical response extends to lower energy regions (1.55–1.80 μm wavelengths) as characterized by the strained GeSn bandgap. A cusp-like spectral characteristic is observed for samples with high Sn contents, which is attributed to the significant strain-induced energy splitting of heavy and light hole bands. This work represents a step forward in developing GeSn-based infrared photodetectors.

  5. Growth and Optical Properties of Direct Band Gap Ge/Ge0.87Sn0.13 Core/Shell Nanowire Arrays.

    PubMed

    Assali, S; Dijkstra, A; Li, A; Koelling, S; Verheijen, M A; Gagliano, L; von den Driesch, N; Buca, D; Koenraad, P M; Haverkort, J E M; Bakkers, E P A M

    2017-03-08

    Group IV semiconductor optoelectronic devices are now possible by using strain-free direct band gap GeSn alloys grown on a Ge/Si virtual substrate with Sn contents above 9%. Here, we demonstrate the growth of Ge/GeSn core/shell nanowire arrays with Sn incorporation up to 13% and without the formation of Sn clusters. The nanowire geometry promotes strain relaxation in the Ge0.87Sn0.13 shell and limits the formation of structural defects. This results in room-temperature photoluminescence centered at 0.465 eV and enhanced absorption above 98%. Therefore, direct band gap GeSn grown in a nanowire geometry holds promise as a low-cost and high-efficiency material for photodetectors operating in the short-wave infrared and thermal imaging devices.

  6. Study of the fundamental units of novel semiconductor materials: structures, energetics, and thermodynamics of the Ge-Sn and Si-Ge-Sn molecular systems.

    PubMed

    Ciccioli, A; Gigli, G

    2012-07-05

    The binary Ge(y)Sn(z) and ternary Si(x)Ge(y)Sn(z) molecular systems containing up to five atoms were investigated by means of density functional theory and coupled cluster calculations. The minimum energy structures were calculated and higher energy isomers are also proposed. The atomization energies of the ground state isomers were calculated by the CCSD(T) method with correlation consistent basis sets up to quadruple-ζ quality. The resulting values were extrapolated to the complete basis set limit and corrected by an approximate evaluation of the spin-orbit effect. Energetic properties such as binding, fragmentation and mixing energies, and HOMO-LUMO gap were analyzed as a function of the cluster size and composition. By using empirically adjusted atomization energies and DFT harmonic frequencies, the thermal functions were evaluated, and a thermodynamic database for the Si-Ge-Sn system was built, containing data for 55 gaseous species. On this basis, equilibrium calculations were performed in the temperature interval 1600-2200 K aimed at predicting the composition of the gas phase under various conditions. The results presented here can be of interest to improve the microscopic knowledge of Ge-Sn and Si-Ge-Sn materials, which are among the most promising candidates for advanced applications in the field of electronic and optoelectronic components, both as epitaxially grown layers and as nanocrystal quantum dots.

  7. Development of Mid-infrared GeSn Light Emitting Diodes on a Silicon Substrate

    DTIC Science & Technology

    2015-04-22

    Final 3. DATES COVERED 13-01-2013 to 30-07-2014 4. TITLE AND SUBTITLE Development of Mid-infrared GeSn Light Emitting Diodes on a Silicon...to develop 1) direct-bandgap Sn-based group-IV material with very low defect densities and 2) a new type of Sn-based group-IV light - emitting diode ...infrared GeSn Light Emitting Diodes on a Silicon Substrate” 22/4/2015 PI and Co-PI information: - Name of Principal Investigators: Prof. H

  8. Study of High-Quality GeSn Alloys Grown by Chemical Vapor Deposition towards Mid-Infrared Applications

    NASA Astrophysics Data System (ADS)

    Al-Kabi, Sattar; Ghetmiri, Seyed Amir; Margetis, Joe; Du, Wei; Mosleh, Aboozar; Dou, Wei; Sun, Greg; Soref, Richard A.; Tolle, John; Li, Baohua; Mortazavi, Mansour; Naseem, Hameed A.; Yu, Shui-Qing

    2016-12-01

    Germanium-tin (GeSn) films with Sn compositions from 5% to 11% were grown on Ge-buffered Si using a reduced pressure chemical vapor deposition system with low-cost SnCl4 and GeH4 precursors. Material characterization showed that relaxed GeSn layers with thicknesses ranging from 400 nm to 1 μm were achieved. The strong photoluminescence (PL) intensity and the low defect density indicated very high material quality. In addition, temperature-dependent 10-300 K photoluminescence spectra showed that, due to strain relaxation of the material, the emission wavelength is longer than that of strained GeSn thin film samples ( t < 200 nm) having the same Sn composition. At 300 K, the PL peak at 2520 nm was observed from the sample with a 1- μm-thick GeSn layer and 11% Sn composition.

  9. 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.

  10. Half-Heusler (TiZrHf)NiSn Unileg Module with High Powder Density.

    PubMed

    Populoh, Sascha; Brunko, Oliver C; Gałązka, Krzysztof; Xie, Wenjie; Weidenkaff, Anke

    2013-03-27

    (TiZrHf)NiSn half-Heusler compounds were prepared by arc melting and their thermoelectric properties characterized in the temperature range between 325 K and 857 K, resulting in a Figure of Merit ZT ≈ 0.45. Furthermore, the prepared samples were used to construct a unileg module. This module was characterized in a homemade thermoelectric module measurement stand and yielded 275 mW/cm² and a maximum volumetric power density of 700 mW/cm³. This was reached using normal silver paint as a contacting material; from an improved contacting, much higher power yields are to be expected.

  11. Surface Characterization, Corrosion Resistance and in Vitro Biocompatibility of a New Ti-Hf-Mo-Sn Alloy

    PubMed Central

    Ion, Raluca; Drob, Silviu Iulian; Ijaz, Muhammad Farzik; Vasilescu, Cora; Osiceanu, Petre; Gordin, Doina-Margareta; Cimpean, Anisoara; Gloriant, Thierry

    2016-01-01

    A new superelastic Ti-23Hf-3Mo-4Sn biomedical alloy displaying a particularly large recovery strain was synthesized and characterized in this study. Its native passive film is very thick (18 nm) and contains very protective TiO2, Ti2O3, HfO2, MoO2, and SnO2 oxides (XPS analysis). This alloy revealed nobler electrochemical behavior, more favorable values of the corrosion parameters and open circuit potentials in simulated body fluid in comparison with commercially pure titanium (CP-Ti) and Ti-6Al-4V alloy taken as reference biomaterials in this study. This is due to the favorable influence of the alloying elements Hf, Sn, Mo, which enhance the protective properties of the native passive film on alloy surface. Impedance spectra showed a passive film with two layers, an inner, capacitive, barrier, dense layer and an outer, less insulating, porous layer that confer both high corrosion resistance and bioactivity to the alloy. In vitro tests were carried out in order to evaluate the response of Human Umbilical Vein Endothelial Cells (HUVECs) to Ti-23Hf-3Mo-4Sn alloy in terms of cell viability, cell proliferation, phenotypic marker expression and nitric oxide release. The results indicate a similar level of cytocompatibility with HUVEC cells cultured on Ti-23Hf-3Mo-4Sn substrate and those cultured on the conventional CP-Ti and Ti-6Al-4V metallic materials. PMID:28773939

  12. Controlling the assembly of chalcogenide anions in ionic liquids: from binary Ge/Se through ternary Ge/Sn/Se to binary Sn/Se frameworks.

    PubMed

    Lin, Yumei; Massa, Werner; Dehnen, Stefanie

    2012-10-15

    Seven compounds with binary or ternary Ge/Se, Ge/Sn/Se, or Sn/Se anionic substructures crystallized upon the ionothermal reactions of [K(4)(H(2)O)(3)][Ge(4)Se(10)] with SnCl(4)·5H(2)O or SnCl(2) in [BMMIm][BF(4)] or [BMIm][BF(4)] (BMMIm=1-butyl-2,3-dimethyl-imidazolium, BMIm=1-butyl-3-methyl-imidazolium). The products were obtained by subtly varying the reaction conditions; the nature and amount of an additional amine was the most important parameter in the product selection and in determining the Sn/Ge ratio in the isolated products. The crystal structures of these chalcogenides were based on complex anions with unprecedented topologies that varied from discrete clusters (0D) through 1D chain structures or 2D layers to 3D frameworks. The architecture and composition of the title compounds were well reflected by their optical absorption behavior. Herein, we report a convenient approach for the generation of chalcogenidometallate phases with fine-tunable electronic properties in ionic liquids, which have been inaccessible by traditional methods.

  13. 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.

  14. 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.

  15. 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

  16. 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.

  17. SiGeSn Ternaries for Efficient Group IV Heterostructure Light Emitters.

    PubMed

    von den Driesch, Nils; Stange, Daniela; Wirths, Stephan; Rainko, Denis; Povstugar, Ivan; Savenko, Aleksei; Breuer, Uwe; Geiger, Richard; Sigg, Hans; Ikonic, Zoran; Hartmann, Jean-Michel; Grützmacher, Detlev; Mantl, Siegfried; Buca, Dan

    2017-02-03

    SiGeSn ternaries are grown on Ge-buffered Si wafers incorporating Si or Sn contents of up to 15 at%. The ternaries exhibit layer thicknesses up to 600 nm, while maintaining a high crystalline quality. Tuning of stoichiometry and strain, as shown by means of absorption measurements, allows bandgap engineering in the short-wave infrared range of up to about 2.6 µm. Temperature-dependent photoluminescence experiments indicate ternaries near the indirect-to-direct bandgap transition, proving their potential for ternary-based light emitters in the aforementioned optical range. The ternaries' layer relaxation is also monitored to explore their use as strain-relaxed buffers, since they are of interest not only for light emitting diodes investigated in this paper but also for many other optoelectronic and electronic applications. In particular, the authors have epitaxially grown a GeSn/SiGeSn multiquantum well heterostructure, which employs SiGeSn as barrier material to efficiently confine carriers in GeSn wells. Strong room temperature light emission from fabricated light emitting diodes proves the high potential of this heterostructure approach.

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

    SciTech Connect

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

    2016-03-07

    Pseudomorphic GeSn layers with Sn atomic percentages between 4.5% and 11.3% were grown by chemical vapor deposition using digermane and SnCl{sub 4} 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.

  19. 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

  20. Sr7Ge6, Ba7Ge6 and Ba3Sn2 -Three new binary compounds containing dumbbells and four-membered chains of tetrel atoms with considerable Ge-Ge π-bonding character

    NASA Astrophysics Data System (ADS)

    Siggelkow, Lisa; Hlukhyy, Viktor; Fässler, Thomas F.

    2012-07-01

    The germanides Sr7Ge6 and Ba7Ge6 as well as the stannide Ba3Sn2 were prepared by arc melting and annealing in welded tantalum ampoules using induction as well as resistance furnaces. The compounds were investigated by powder and single crystal X-ray diffraction. Sr7Ge6 and Ba7Ge6 crystallize in the Ca7Sn6 structure type (space group Pmna, Z=4: a=7.777(2) Å, b=23.595(4) Å, c=8.563(2) Å, wR2=0.081 (all data), 2175 independent reflections, 64 variable parameters for Sr7Ge6 and a=8.0853(6) Å, b=24.545(2) Å, c=8.9782(8) Å, wR2=0.085 (all data), 2307 independent reflections, 64 variable parameters for Ba7Ge6). Ba3Sn2 crystallizes in an own structure type with the space group P43212, Z=4, a=6.6854(2) Å, c=17.842(2) Å, wR2=0.037 (all data), 1163 independent reflections, 25 variable parameters. In Sr7Ge6 and Ba7Ge6 the Ge atoms are arranged as Ge2 dumbbells and Ge4 four-membered atom chains. Their crystal structures cannot be rationalized according to the (8-N) rule. In contrast, Ba3Sn2 presents Sn2 dumbbells as a main structural motif and thereby can be described as an electron precise Zintl phase. The chemical bonding situation in these structures is discussed on the basis of partial and total Density Of States (DOS) curves, band structures including fatbands, topological analysis of the Electron Localization Function (ELF) as well as Bader analysis of the bond critical points using the programs TB-LMTO-ASA and WIEN2K. While Ba3Sn2 reveals semiconducting behaviour, all germanides Ae7Ge6 (Ae=Ca, Sr, and Ba) show metallic properties and a considerable π-bonding character between the Ge atoms of the four-membered chains and the dumbbells. The π-bonding character of the germanides is best reflected by the resonance hybrid structures {[Ge-Ge]6-/[Ge-....Ge-....Ge-....Ge]8-}↔{[Ge=Ge]4-/[Ge-Ge-Ge-Ge]10-}.

  1. 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.

  2. 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.

  3. Impact of thickness on the structural properties of high tin content GeSn layers

    NASA Astrophysics Data System (ADS)

    Aubin, J.; Hartmann, J. M.; Gassenq, A.; Milord, L.; Pauc, N.; Reboud, V.; Calvo, V.

    2017-09-01

    We have grown various thicknesses of GeSn layers in a 200 mm industrial Reduced Pressure - Chemical Vapor Deposition cluster tool using digermane (Ge2H6) and tin tetrachloride (SnCl4). The growth pressure (100 Torr) and the F(Ge2H6)/F(SnCl4) mass-flow ratio were kept constant, and incorporation of tin in the range of 10-15% was achieved with a reduction in temperature: 325 °C for 10% to 301 °C for 15% of Sn. The layers were grown on 2.5 μm thick Ge Strain Relaxed Buffers, themselves on Si(0 0 1) substrates. We used X-ray Diffraction, Atomic Force Microscopy, Raman spectroscopy and Scanning Electron Microscopy to measure the Sn concentration, the strain state, the surface roughness and thickness as a function of growth duration. A dramatic degradation of the film was seen when the Sn concentration and layer thickness were too high resulting in rough/milky surfaces and significant Sn segregation.

  4. High quality, giant crystalline-Ge stripes on insulating substrate by rapid-thermal-annealing of Sn-doped amorphous-Ge in solid-liquid coexisting region

    SciTech Connect

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

    2015-06-15

    Formation of large-grain (≥30 μm) Ge crystals on insulating substrates is strongly desired to achieve high-speed thin-film transistors. For this purpose, we propose the methods of Sn-doping into amorphous-Ge combined with rapid-thermal-annealing (RTA) in the solid-liquid coexisting temperature region for the Ge-Sn alloy system. The densities of micro-crystal-nuclei formed in this temperature region become low by tuning the RTA temperature close to the liquidus curve, which enhances the lateral growth of GeSn. Thanks to the very small segregation coefficient of Sn, almost all Sn atoms segregate toward edges of the stripes during growth. Agglomeration of GeSn degrades the surface morphologies; however, it is significantly improved by lowering the initial Sn concentration. As a result, pure Ge with large crystal grains (∼40 μm) with smooth surface are obtained by optimizing the initial Sn concentration as low as 3 ∼ 5%. Lateral growth lengths are further increased through decreasing the number of nuclei in stripes by narrowing stripe width. In this way, high-crystallinity giant Ge crystals (∼200 μm) are obtained for the stripe width of 3 μm. This “Si-seed free” technique for formation of large-grain pure Ge crystals is very useful to realize high-performance thin-film devices on insulator.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. Phase separation of {beta}-Sn in strained, compositionally metastable Ge{sub 1{minus}x}Sn{sub x} alloys

    SciTech Connect

    Kriesel, J.W. |; Lee, S.M.

    1996-12-31

    A wide variety of scientific fields ranging from medicine to astronomy need sensitive, inexpensive far infrared (IR) photodetectors. Using rf sputtering and post-deposition annealing in a differential scanning calorimeter (DSC), the authors manufactured bulk (4,000 nm) films of crystalline Ge{sub 0.83}Sn{sub 0.17}. This Sn concentration is much greater than the solid solubility limit of Sn in Ge (x {le} 0.01). Continued annealing thermally induces Sn phase separation from the alloy, limiting the ultimate attainable grain size in the metastable crystals. The authors examine, here, the mechanisms and kinetics of the processes limiting the size of the Ge{sub 0.83}Sn{sub 0.17} polycrystals. From a combination of DSC, electron microprobe, and x-ray diffraction (XRD) measurements, they propose phase transformation mechanisms corresponding to crystallization of amorphous Ge{sub 0.83}Sn{sub 0.17}, crystallization of an as-yet unidentified phase of Sn, and phase separation of Sn from the Ge{sub 1{minus}x}Sn{sub x} crystals. They were unable to observe the unidentified phase of Sn in XRD, but the phase must be present in the material to account for the quantitative discrepancies (as much as 8 at.%) in Sn percentages determined from each of the DSC, XRD, and electron microprobe measurements. The models for the various transformation kinetics were corroborated by the subsequent phase-separated Sn melting behavior observed in the DSC: two Sn melting endotherms, one of which was 20--100 C lower than the bulk melting temperature of Sn. This depressed temperature endotherm they speculate represents liquefaction of nanometer-sized {beta}-Sn clusters.

  10. Silicon Based Mid Infrared SiGeSn Heterostructure Emitters and Detectors

    DTIC Science & Technology

    2016-05-16

    more improvement. 15. SUBJECT TERMS electronic materials, heterostructure semiconductors, light emitting devices 16. SECURITY CLASSIFICATION OF: 17...J. Margetis, Y. Zhou, A. Mosleh, A. Nazzal, G. Sun, R. A. Soref, J. Tolle, B. Li, H. A. Naseem, “Si based GeSn light emitter: mid-infrared device in...Temperature- dependent characterization of G0.94Sn0.06 light -emitting diode grown on Si via CVD,” Proceeding of the Conference on Lasers and

  11. Topological Weyl semimetals in the chiral antiferromagnetic materials Mn3Ge and Mn3Sn

    NASA Astrophysics Data System (ADS)

    Yang, Hao; Sun, Yan; Zhang, Yang; Shi, Wu-Jun; Parkin, Stuart S. P.; Yan, Binghai

    2017-01-01

    Recent experiments revealed that Mn3Sn and Mn3Ge exhibit a strong anomalous Hall effect at room temperature, provoking us to explore their electronic structures for topological properties. By ab initio band structure calculations, we have observed the existence of multiple Weyl points in the bulk and corresponding Fermi arcs on the surface, predicting antiferromagnetic Weyl semimetals in Mn3Ge and Mn3Sn. Here the chiral antiferromagnetism in the Kagome-type lattice structure is essential to determine the positions and numbers of Weyl points. Our work further reveals a new guiding principle to search for magnetic Weyl semimetals among materials that exhibit a strong anomalous Hall effect.

  12. Impact of the wetting layer thickness on the emission wavelength of direct band gap GeSn/Ge quantum dots

    NASA Astrophysics Data System (ADS)

    Ilahi, Bouraoui; Al-Saigh, Reem; Salem, Bassem

    2017-07-01

    The effects of the wetting layer thickness (t WL) on the electronic properties of direct band gap type-I strained dome shaped Ge(1-x)Sn x quantum dot (QD) embedded in Ge matrix is numerically studied. The emission wavelength and the energy difference between S and P electron levels have been evaluated as a function of t WL for different QD size and composition with constant height to diameter ratio. The emission wavelength is found to be red shifted by increasing the wetting layer thickness, with smaller size QD being more sensitive to the variation of t WL. Furthermore, the minimum Sn composition required to fit the directness criteria is found to reduce by increasing the wetting layer thickness.

  13. Low-temperature (<200 oC) solid-phase crystallization of high substitutional Sn concentration (˜10%) GeSn on insulator enhanced by weak laser irradiation

    NASA Astrophysics Data System (ADS)

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

    2017-07-01

    Low temperature (<200 oC) crystallization of GeSn (substitutional Sn concentration: >8%) on insulating substrates is essential to realize next generation flexible electronics. To achieve this, a growth method of high quality GeSn films on insulating substrates by combination of laser irradiation and subsequent thermal annealing is developed. Here, the laser fluence is chosen as weak, which is below the critical fluence for crystallization of GeSn. It is clarified that for samples irradiated with weak laser fluence, complete crystallization of GeSn films is achieved by subsequent thermal annealing at ˜170 oC without incubation time. In addition, the quality of GeSn films obtained by this method is higher compared with conventional growth techniques such as melting growth by pulsed laser annealing or solid-phase crystallization (SPC) without pre-laser irradiation. Substitutional Sn concentrations in the grown layers estimated by Raman spectroscopy measurements are 8-10%, which far exceed thermal equilibrium solid-solubility of Sn in Ge (˜2%). These phenomena are explained by generation of a limited number of nuclei by weak laser irradiation and lateral SPC by subsequent thermal annealing. This method will facilitate realization of next-generation high performance devices on flexible insulating substrates.

  14. 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.

  15. 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.

  16. 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.

  17. Passivation of multiple-quantum-well Ge0.97Sn0.03/Ge p-i-n photodetectors

    NASA Astrophysics Data System (ADS)

    Morea, Matthew; Brendel, Corinna E.; Zang, Kai; Suh, Junkyo; Fenrich, Colleen S.; Huang, Yi-Chiau; Chung, Hua; Huo, Yijie; Kamins, Theodore I.; Saraswat, Krishna C.; Harris, James S.

    2017-02-01

    We study the effect of surface passivation on pseudomorphic multiple-quantum-well Ge0.97Sn0.03/Ge p-i-n photodetectors. A combination of ozone oxidation to form GeOx and GeSnOx on the surface of the diodes followed by atomic layer deposition of Al2O3 for protection of these native oxides provides reduced dark current. With a temperature-dependent investigation of dark current, we calculate the activation energy to be 0.26 eV at a bias of -0.1 V and 0.05 eV at -1 V for the sample passivated by this ozone method. Based on these activation energy results, we find that the current is less dominated by bulk tunneling at lower reverse bias values; hence, the effect of surface passivation is more noticeable with nearly an order-of-magnitude improvement in dark current for the ozone-passivated sample compared to control devices without the ozone treatment at a voltage of -0.1 V. Passivation also results in a significant enhancement of the responsivity, particularly for shorter wavelengths, with 26% higher responsivity at 1100 nm and 16% higher performance at 1300 nm.

  18. Magnetic ordering of Hf3Ni2Si3-type {Sm, Tb, Er}3Co2Ge3 and {Tb, Ho}3Ni2Ge3 compounds

    NASA Astrophysics Data System (ADS)

    Morozkin, A. V.; Yapaskurt, V. O.; Nirmala, R.; Quezado, S.; Malik, S. K.; Mozharivskyj, Y.; Isnard, O.

    2017-02-01

    The magnetic ordering of Hf3Ni2Si3-type {Sm, Tb, Er}3Co2Ge3 and {Tb, Ho}3Ni2Ge3 compounds (space group Cmcm, oC32) was investigated via magnetization measurements and neutron diffraction study in a zero-applied field. {Sm, Tb, Er}3Co2Ge3 and Ho3Ni2Ge3 exhibit field sensitive complex antiferromagnetic orderings with TN=51 K, Tm=10 K for Sm3Co2Ge3, TN=34 K, Tm=13 K for Tb3Co2Ge3, TN=7 K for Er3Co2Ge3 and TN=11 K for Ho3Ni2Ge3. At 2 K and above the critical field of 5 kOe, 20 kOe, 4 kOe and 7 kOe for Sm3Co2Ge3, Tb3Co2Ge3, Er3Co2Ge3 and Ho3Ni2Ge3, respectively, saturation magnetizations per rare-earth atom are 6.5 μB for Tb3Co2Ge3, 7.0 μB for Er3Co2Ge3 and 8.0 μB for Ho3Ni2Ge3 in the field of 140 kOe, whereas magnetization of Sm3Co2Ge3 has an antiferromagnetic behaviour. The isothermal magnetic entropy change, ΔSm, indicates a field-induced ferromagnetic ordering in Sm3Co2Ge3, Tb3Co2Ge3, Er3Co2Ge3 and Ho3Ni2Ge3 with a maximal ΔSm value of -10.9 J/kg K for Ho3Ni2Ge3 at 11 K for a field change of 50 kOe. In a zero-applied magnetic field, below TN=33 K and down to TmND=15 K Tb3Ni2Ge3 shows an ac-antiferromagnetic ordering with the C2‧/c magnetic space group, a K0=[0, 0, 0] propagation vector and a aTb3Ni2Ge3×bTb3Ni2Ge3×cTb3Ni2Ge3 magnetic unit cell. Below TmND=15 K, its magnetic structure is a sum of the ac-antiferromagnetic component with the C2‧/c magnetic space group of the K0 vector and a sine-modulated a-antiferromagnetic component of the K1=[0, 0, ±1/3] propagation vector (the magnetic unit cell is aTb3Ni2Ge3×bTb3Ni2Ge3×3cTb3Ni2Ge3). The magnetic structure is made from the 'Tb2 - 2Tb1‧ clusters of the Tb1 8f and Tb2 4c sublattices with a dominant role of the Tb2 sublattices in the magnetic ordering of Tb3Ni2Ge3.

  19. Non-equilibrium induction of tin in germanium: towards direct bandgap Ge(1-x)Sn(x) nanowires.

    PubMed

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

    2016-04-20

    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 Ge(1-x)Sn(x) 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.

  20. Spin-Diffusion Lengths in Ag(4%Sn) and Cu(2%Ge) alloys

    NASA Astrophysics Data System (ADS)

    Sharma, Amit; Richard, Brandon; Fowler, Quinton; Loloee, Reza; Pratt, William, Jr.; Bass, Jack

    2008-03-01

    Alloying Ag with a little Sn, or Cu with a little Ge, greatly increases elastic scattering of electrons---i.e., greatly decreases the electron mean-free-path (mfp), but does not produce much spin-flipping---i.e., leaves the electron spin-diffusion length, l, relatively long. Thus, dilute AgSn and CuGe alloys were used to study effects of changing the mfp on current-perpendicular-to-plane (CPP) magnetoresistance [1] and current-induced magnetization switching (CIMS) [2], while leaving spin-flipping weak. Published transport data in dilute AgSn and CuGe alloys give only lower bounds for l [3-5]. We find l = 34 ± 4 nm for Ag(4%Sn) and l = 125 ± 10 nm for Cu(2%Ge). [1] K. Eid et al., J. Magn. Magn. Mat. 224, L205 (2001). [2] N. Theodoropoulou et al., Phys. Rev. B (rapid comm.) in press. [3] S.-F.Lee et al., J. Magn. Magn. Mat. 118, L1 (993). [4] J. Bass et al, Mat. Sci. and Eng. B31, 77 (1995). [5] J. Bass and W.P. Pratt Jr., J. Phys. Cond. Matt. 19, 183201 (2007).

  1. Formation of Ge-Sn nanodots on Si(100) surfaces by molecular beam epitaxy

    PubMed Central

    2011-01-01

    The surface morphology of Ge0.96Sn0.04/Si(100) heterostructures grown at temperatures from 250 to 450°C by atomic force microscopy (AFM) and scanning tunnel microscopy (STM) ex situ has been studied. The statistical data for the density of Ge0.96Sn0.04 nanodots (ND) depending on their lateral size have been obtained. Maximum density of ND (6 × 1011 cm-2) with the average lateral size of 7 nm can be obtained at 250°C. Relying on the reflection of high energy electron diffraction, AFM, and STM, it is concluded that molecular beam growth of Ge1-xSnx heterostructures with the small concentrations of Sn in the range of substrate temperatures from 250 to 450°C follows the Stranski-Krastanow mechanism. Based on the technique of recording diffractometry of high energy electrons during the process of epitaxy, the wetting layer thickness of Ge0.96Sn0.04 films is found to depend on the temperature of the substrate. PMID:21711584

  2. Self-assembled strained GeSiSn nanoscale structures grown by MBE on Si(100)

    NASA Astrophysics Data System (ADS)

    Nikiforov, A. I.; Timofeev, V. A.; Tuktamyshev, A. R.; Yakimov, A. I.; Mashanov, V. I.; Gutakovskii, A. K.

    2017-01-01

    Gradual relaxation of elastic deformations in a silicon layer at the growth of a covering layer on strained layers was established. The dependence of the thickness of a silicon film, where full elastic strain relaxation occurs, on the germanium layer thickness was determined. The dependence of the critical thickness of 2D-3D transition of temperature and composition of the GeSiSn film on Si(100) was studied. Regularities of the formation of multilayer structures on quantum wells comprising pseudomorphous GeSiSn layers without relaxed buffer layers but creating the structures directly on Si. A possibility of synthesizing multilayer structures by molecular beam epitaxy was shown, and the crystal lattice constants using the high-resolution transmission electron microscopy were determined. Based on multilayer GeSiSn/Si structures the p-i-n-diodes, which demonstrated the photoresponse increasing by several orders of magnitude compared to the Sn-free structures at an increase in the Sn content, were created.

  3. 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.

  4. Chemical Bonding Analysis as a Guide for the Preparation of New Compounds: The Case of VIrGe and HfPtGe.

    PubMed

    Bende, David; Wagner, Frank R; Sichevych, Olga; Grin, Yuri

    2017-01-24

    The chemical bonding of transition metal compounds with a MgAgAs-type of crystal structure is analyzed with quantum chemical position-space techniques. The observed trends in QTAIM Madelung energy and nearest neighbor electron sharing explain the occurrence of recently synthesized MgAgAs-type compounds, TiPtGe and TaIrGe, at the boundary to the TiNiSi-type crystal structure. These bonding indicators are used to identify favorable element combinations for new MgAgAs-type compounds. The new phases-the high-temperature VIrGe and the low-temperature HfPtGe-showing this type of crystal structure are prepared and characterized by powder X-ray diffraction and differential thermal analysis. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Tri-metallic deltahedral Zintl ions: experimental and theoretical studies of the novel dimer [(Sn6Ge2Bi)2]4-.

    PubMed

    Gillett-Kunnath, Miriam M; Muñoz-Castro, Alvaro; Sevov, Slavi C

    2012-04-11

    We report the synthesis, characterization, and computational rationalization of the first trimetallic deltahedral Zintl ions. The novel nine-atom clusters were structurally characterized as dimers of [(Sn(6)Ge(2)Bi)(2)](4-) with Ge-Ge intercluster bonds. They are synthesized either by reacting bimetallic clusters (Sn(9-x)Ge(x))(4-) with BiPh(3) or by direct extraction from precursors with nominal composition "K(4)Ge(4)Sn(4)Bi".

  6. HfO2 high-κ gate dielectrics on Ge (100) by atomic oxygen beam deposition

    NASA Astrophysics Data System (ADS)

    Dimoulas, A.; Mavrou, G.; Vellianitis, G.; Evangelou, E.; Boukos, N.; Houssa, M.; Caymax, M.

    2005-01-01

    Thin insulator films of the high-κ dielectric HfO2 are deposited on Ge(100) substrates by evaporating Hf in atomic oxygen beams after in situ thermal desorption of the native oxide in ultrahigh vacuum and subsequent treatment of the clean Ge surface in oxygen and nitrogen. It is shown that HfO2 forms atomically sharp interfaces with Ge and behaves as an excellent insulator with dielectric permittivity κ˜25, which is close to the expected bulk value. Very low equivalent oxide thickness of 0.75 (±0.1) nm with a low gate leakage current of ˜4.5×10-4A/cm2 at 1 V in accumulation is achieved. Strong frequency dispersion of the inversion capacitance and low frequency behavior of the high frequency capacitance-voltage curves is observed. This is attributed to a combined effect of a high generation rate of minority carriers due to impurity traps and the high intrinsic carrier concentration in Ge, which result in a short minority carrier response time.

  7. Characterization of a Ge1-x-ySiySnx/Ge1-xSnx multiple quantum well structure grown by sputtering epitaxy.

    PubMed

    Zheng, Jun; Wang, Suyuan; Cong, Hui; Fenrich, Colleen S; Liu, Zhi; Xue, Chunlai; Li, Chuanbo; Zuo, Yuhua; Cheng, Buwen; Harris, James S; Wang, Qiming

    2017-04-15

    A high-quality Ge0.88Si0.08Sn0.04/Ge0.94Sn0.06 multiple quantum well (MQW) structure was grown on a Ge (001) substrate by sputtering epitaxy. The MQW structure was characterized by high-resolution x-ray diffraction and transmission electron microscopy. Surface-illuminated Ge0.88Si0.08Sn0.04/Ge0.94Sn0.06 MQW pin photodetectors were fabricated with cutoff wavelengths of up to 2140 nm. The analysis of transitions from spectral response was fitted well with the theoretical calculations. Results suggest that sputtering epitaxy is a promising method for preparing high-quality low-dimensional Sn-based group IV materials and that Ge1-x-ySiySnx/Ge1-xSnx MQWs have potential applications in the development of efficient Si-based photonic devices.

  8. 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.

  9. 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.

  10. 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

  11. 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.

  12. Room temperature lasing in GeSn alloys: A path to CMOS-compatible infrared lasers

    NASA Astrophysics Data System (ADS)

    Li, Zairui; Zhao, Yun; Gallagher, James; Menéndez, José; Kouvetakis, John; Agha, Imad; Mathews, Jay

    The semiconductor industry has been pushing silicon photonics development for many years, resulting in the realization of many CMOS-compatible optoelectronic devices. However, one challenge that has not been overcome is the development of Si-based lasers. Recently, GeSn alloys grown on Si have shown much promise in the field of infrared optoelectronics. These alloy films are compatible with CMOS processing, have band gaps in the infrared, and the band structure of GeSn can be tuned via Sn concentration to induce direct band gap emission. In this work, we report on room temperature lasing in optically-pumped waveguides fabricated from GeSn films grown epitaxially on Si(100) substrates. The waveguides were defined using standard UV photolithography and dry-etched in a Cl plasma. The end facets were mirror polished, and Al was deposited on one facet to enhance cavity quality. The waveguides were optically-pumped using a 976nm wavelength solid-state laser, and the corresponding emission was measured. The dependence of the emission power on the pump power shows a clear transition between spontaneous and stimulated emission, thereby demonstrating room temperature lasing.

  13. Role of H2 supply for Sn incorporations in MOCVD Ge1-xSnx epitaxial growth

    NASA Astrophysics Data System (ADS)

    Suda, Kohei; Sawamoto, Naomi; Machida, Hideaki; Ishikawa, Masato; Sudoh, Hiroshi; Ohshita, Yoshio; Hirosawa, Ichiro; Ogura, Atsushi

    2017-06-01

    In this paper, we propose a new method of using H2 supply in the atmosphere to increase Sn concentration in a Ge1-xSnx film epitaxially grown on a Ge substrate using MOCVD (metal organic chemical vapor deposition). H2 supplied in the atmosphere accelerates decomposition of Sn precursors and suppresses surface migration of Sn atoms during epitaxial growth of a Ge1-xSnx film. The proposed method is new and fundamentally different from the existing methods that increase Sn concentration through either crystallizing α-Ge1-xSnx or lowering growth temperature. The proposed method uses H2 supply in the atmosphere to increase Sn concentration. In order to show the effectiveness of the proposed method, we conducted experiments with varying ratios of supplying H2 in the atmosphere and epitaxially grew a Ge1-xSnx film on a Ge substrate using MOCVD. MO precursors that we used in our experiments (tertiarybutylgermane and tetraethyl tin) are new and safe. In our experiments, we observed that Sn concentration increased with H2 supply during growth, while maintaining a high growth rate of a Ge1-xSnx film.

  14. Ge2Sb2Te5/SnSe2 nanocomposite multilayer thin films for phase change memory application

    NASA Astrophysics Data System (ADS)

    Feng, Xiaoyi; Wen, Ting; Zhai, Jiwei; Lai, Tianshu; Wang, Changzhou; Song, Sannian; Song, Zhitang

    2014-10-01

    By nanocompositing Ge2Sb2Te5 and SnSe2, the electrical and thermal proprieties of Ge2Sb2Te5/SnSe2 multilayer films for phase change random access memory (PCRAM) are better than those of Ge2Sb2Te5 films. The crystallization temperature rises and can be controlled. The resistance gap can reach approximately five orders of magnitude to ensure high data reliability. The activity energy (Ea) is more than 2.60 eV and the temperature for 10 year data retention reach 110 °C. The analysis of both XRD patterns and TEM images confirmed the reversible phase change transition between amorphous and crystalline state in Ge2Sb2Te5/SnSe2 nanocomposite multilayer films. According to transient photoreflectance traces, the speed of crystallization process was about 33 ns. Among different Ge2Sb2Te5/SnSe2 multilayer films, the film constitute of [Ge2Sb2Te5 (4 nm)/SnSe2(10 nm)]7 showed better properties and was manufactured by CMOS technology to phase change memory (PCM) cells. This result revealed that the Ge2Sb2Te5/SnSe2 nanocomposite multilayer film is a promising phase change material.

  15. Theoretical electric dipole moments of SiH, GeH and SnH

    NASA Technical Reports Server (NTRS)

    Pettersson, L. G. M.; Langhoff, S. R.

    1986-01-01

    Accurate theoretical dipole moments have been computed for the X2Pi ground states of Si(-)H(+) (0.118 D), Ge(+)H(-) (0.085 D), and Sn(+)H(-) (0.357 D). The trend down the periodic table is regular and follows that expected from the electronegativities of the group IV atoms. The dipole moment of 1.24 + or - 0.1 D for GeH recently derived by Brown, Evenson and Sears (1985) from the relative intensities of electric and magnetic dipole transitions in the 10-micron spectrum of the X2Pi state is seriously questioned.

  16. Theoretical Electric Dipole Moments of SiH, GeH and SnH

    NASA Technical Reports Server (NTRS)

    Pettersson, Lars G. M.; Langhoff, Stephen R.

    1986-01-01

    Accurate theoretical dipole moments (mu(sub c) have been computed for the X(exp 2)Pi ground states of Si(-)H(+)(0.118 D), Ge(+)H(-)(0.085 D) and Sn(+)H(-)(0.357 D). The trend down the periodic table is regular and follows that expected from the electronegativities of the group IV atoms. The dipole moment of 1.24 +/- 0.1 D for GeH recently derived by Brown, Evenson and Sears from the relative intensities of electric and magnetic dipole transitions in the 10 microns spectrum of the X(exp 2)Pi state is seriously questioned.

  17. Near-bandgap optical properties of pseudomorphic GeSn alloys grown by molecular beam epitaxy

    SciTech Connect

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

    2016-08-14

    We investigated the compositional dependence of the near-bandgap dielectric function and the E{sub 0} critical point in pseudomorphic Ge{sub 1-x}Sn{sub x} alloys grown on Ge (100) substrate by molecular beam epitaxy. The complex dielectric functions were obtained using spectroscopic ellipsometry from 0.5 to 4.5 eV at room temperature. Analogous to the E{sub 1} and E{sub 1}+Δ{sub 1} transitions, a model consisting of the compositional dependence of relaxed alloys along with the strain contribution predicted by the deformation potential theory fully accounts for the observed compositional dependence in pseudomorphic alloys.

  18. The effect of La2O3-incorporation in HfO2 dielectrics on Ge substrate by atomic layer deposition

    NASA Astrophysics Data System (ADS)

    Oh, Il-kwon; Kim, Min-Kyu; Lee, Jae-seung; Lee, Chang-Wan; Lansalot-Matras, Clement; Noh, Wontae; Park, Jusang; Noori, Atif; Thompson, David; Chu, Schubert; Maeng, W. J.; Kim, Hyungjun

    2013-12-01

    We compared the electrical properties of HfO2, HfO2/La2O3, and La-doped HfO2 gate insulators deposited on Ge substrate using an atomic layer deposition (ALD) process. TDMAH [tetrakis(dimethylamino)hafnium] and La(iprCp)3 [tris(isopropyl-cyclopentadienyl) lanthanum] were employed as Hf and La precursors, respectively. Chemical compositions and binding structures were analyzed by X-ray photoelectron spectroscopy (XPS). Electrical properties were evaluated by capacitance-voltage (C-V) and current-voltage (I-V) measurements. We found that incorporation of La2O3 near Ge can enhance the electrical properties of Ge MOS capacitors. The best electrical properties of 50 mV of hysteresis and mid ∼1012 cm-2 eV-1 range interface states were found for the 400 °C-annealed HfO2/La2O3 bilayer sample. These values are significantly better than those of ALD HfO2 gate insulators on Ge. We attribute this to the formation of LaGeOx layers on the Ge surface, which reduces Gesbnd O bonding.

  19. Theoretical analysis of performance enhancement in GeSn/SiGeSn light-emitting diode enabled by Si3N4 liner stressor technique.

    PubMed

    Zhang, Qingfang; Liu, Yan; Han, Genquan; Shao, Yao; Gao, Xi; Zhang, Chunfu; Zhang, Jincheng; Hao, Yue

    2016-12-01

    We comprehensively investigate the energy band diagrams, carrier distribution, spontaneous emission rate rsp, and the internal quantum efficiency ηIQE in the lattice-matched GeSn/SiGeSn double heterostructure light-emitting diode (LED) wrapped in a Si3N4 liner stressor. The large tensile strain introduced into the device by the expansion of the Si3N4 liner is characterized by numerical simulation. A lower Sn composition required for the indirect to direct bandgap transition and a higher ratio of the electron occupation probability in the Γ conduction valley are achieved in the tensile strained GeSn/SiGeSn LED in comparison with the relaxed device. Analytical calculation shows that the tensile strained LED wrapped in the Si3N4 liner stressor exhibits the improved rsp and ηIQE compared to the relaxed device. rsp and ηIQE also can be enhanced by increasing Sn composition, carrier injection density, and n-type doping concentration in the GeSn active layer.

  20. Thermal expansivity of Ge{sub 1-y}Sn{sub y} alloys

    SciTech Connect

    Roucka, R.; Fang, Y.-Y.; Kouvetakis, J.; Chizmeshya, A. V. G.; Menendez, J.

    2010-06-15

    The temperature dependence of the lattice parameter of Ge{sub 1-y}Sn{sub y} alloys deposited on Si substrates has been determined from an analysis of their x-ray reciprocal-space maps. It is found that over the range 0Ge and {alpha}-Sn are nearly the same. Alternative interpolation formulas based on a Debye model and a mixed Debye-Einstein model of the phonon structure are tested and it is found that they also fail to explain the observed increase in thermal expansivity.

  1. 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.

  2. Energy Band Structure of Be-(C, Si, Ge, Sn)-N2 Crystals

    NASA Astrophysics Data System (ADS)

    Basalaev, Yu. M.; Gordienok, N. I.

    2017-09-01

    For the Be MN2 ( M = C, Si, Ge, Sn) crystals with the chalcopyrite lattice, model calculations of the electronic structure are performed, equilibrium parameters of the crystal lattice are obtained, band spectra, density of states, and charge distribution densities are calculated within the framework of the density functional theory using a B3LYP approximation. It is found that BeCN2 is a pseudo-direct-gap crystal strongly compressed along the tetragonal axis (γ = 1.868), whereas BeSiN2, BeGeN2, and BeSnN2 are stretched (γ > 2) direct-gap crystals with band gaps of 7.34, 5.71, 5.07, and 3.24 eV, respectively.

  3. 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.

  4. Low temperature formation of higher-k cubic phase HfO{sub 2} by atomic layer deposition on GeO{sub x}/Ge structures fabricated by in-situ thermal oxidation

    SciTech Connect

    Zhang, R.; Huang, P.-C.; Taoka, N.; Yokoyama, M.; Takenaka, M.; Takagi, S.

    2016-02-01

    We have demonstrated a low temperature formation (300 °C) of higher-k HfO{sub 2} using atomic layer deposition (ALD) on an in-situ thermal oxidation GeO{sub x} interfacial layer. It is found that the cubic phase is dominant in the HfO{sub 2} film with an epitaxial-like growth behavior. The maximum permittivity of 42 is obtained for an ALD HfO{sub 2} film on a 1-nm-thick GeO{sub x} form by the in-situ thermal oxidation. It is suggested from physical analyses that the crystallization of cubic phase HfO{sub 2} can be induced by the formation of six-fold crystalline GeO{sub x} structures in the underlying GeO{sub x} interfacial layer.

  5. 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.

  6. 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.

  7. 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.

  8. Ferroelectric Properties of Pt/Pb5Ge3O11/Pt and Pt/Pb5Ge3O11/HfO2/Si Structures

    NASA Astrophysics Data System (ADS)

    Ohara, Shuichiro; Aizawa, Koji; Ishiwara, Hiroshi

    2005-09-01

    The ferroelectric properties of metal-ferroelectric-metal (MFM) capacitors with a Pt/Pb5Ge3O11(PGO)/Pt structure and metal-ferroelectric-insulator-semiconductor (MFIS) diodes with a Pt/PGO/HfO2/Si structure were investigated. C-axis-oriented PGO thin films were formed on both Pt/SiO2/Si and HfO2 (6 nm)/Si structures by a sol-gel method. Typical values of remanent polarization (2Pr), coercive field (2Ec), and dielectric constant in the MFM capacitors were 5.7 μC/cm2, 63 kV/cm, and 50, respectively, and the remanent polarization gradually increased with the switching pulses for up to 1 × 1010 cycles. It was also found that the memory window in the MFIS diodes with a 340-nm-thick PGO film was as large as 1.3 V.

  9. The Double-peaked SN 2013ge: A Type Ib/c SN with an Asymmetric Mass Ejection or an Extended Progenitor Envelope

    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.

    2016-04-01

    We present extensive multiwavelength (radio to X-ray) observations of the Type Ib/c supernova (SN Ib/c) SN 2013ge from -13 to +457 days relative to maximum light, including a series of optical spectra and Swift UV-optical photometry beginning 2-4 days post-explosion. This data set makes SN 2013ge one of the best-observed normal SNe Ib/c at early times—when the light curve is particularly sensitive to the progenitor configuration and mixing of radioactive elements—and reveals two distinct light curve components in the UV bands. The first component rises over 4-5 days and is visible for the first week post-explosion. Spectra of the first component have blue continua and show a plethora of moderately high velocity (˜15,000 km s-1) but narrow (˜3500 km s-1) spectroscopic features, indicating that the line-forming region is restricted. The explosion parameters estimated for the bulk explosion ({M}{{ej}} ˜ 2-3 {M}⊙ ; {E}{{K}} ˜ (1-2) × 1051 erg) are standard for SNe Ib/c, and there is evidence for weak He features at early times—in an object that would have otherwise been classified as Type Ic. In addition, SN 2013ge exploded in a low-metallicity environment (˜0.5 {Z}⊙ ), and we have obtained some of the deepest radio and X-ray limits for an SN Ib/c to date, which constrain the progenitor mass-loss rate to be \\dot{M} < 4 × 10-6 {M}⊙ yr-1. We are left with two distinct progenitor scenarios for SN 2013ge, depending on our interpretation of the early emission. If the first component is cooling envelope emission, then the progenitor of SN 2013ge either possessed an extended (≳30 {R}⊙ ) envelope or ejected a portion of its envelope in the final ≲ 1 yr before core collapse. Alternatively, if the first component is due to outwardly mixed 56Ni, then our observations are consistent with the asymmetric ejection of a distinct clump of nickel-rich material at high velocities. Current models for the collision of an SN shock with a binary companion cannot

  10. The Double-Peaked SN 2013ge: A Type Ib/c Sn with an Asymmetric Mass Ejection or an Extended Progenitor Envelope

    NASA Technical Reports Server (NTRS)

    Drout, M. R.; Milisavjlevic, D.; Parrent, J.; Margutti, R.; Kamble, A.; Soderberg, A.M.; Challis, P.; Chornock, P.; Fong, W.; Frank, S.; hide

    2016-01-01

    We present extensive multiwavelength (radio to X-ray) observations of the Type Ib/c supernova (SN Ib c) SN 2013ge from -13 to +457 days relative to maximum light, including a series of optical spectra and Swift UV-optical photometry beginning 2-4 days post-explosion. This data set makes SN 2013ge one of the best-observed normal SNe Ib/c at early times-when the light curve is particularly sensitive to the progenitor configuration and mixing of radioactive elements -and reveals two distinct light curve components in the UV bands. The first component rises over 4-5 days and is visible for the first week post-explosion. Spectra of the first component have blue continua and show a plethora of moderately high velocity (approximately 15,000 km/s) but narrow (approximately 3500 km/s)spectroscopic features, indicating that the line-forming region is restricted. The explosion parameters estimated for the bulk explosion (M(sub ej) approximately 23 solar mass; E(subK) approximately (1-2) x 10(exp 51) erg) are standard for SNe Ib/c, and there is evidence forweak He features at early times-in an object that would have otherwise been classified as Type Ic. In addition,SN 2013ge exploded in a low-metallicity environment (approximately 0.5 atomic mass), and we have obtained some of the deepest radio and X-ray limits for an SN Ib/c to date, which constrain the progenitor mass-loss rate to be M less than 4 x 10(exp -6) solar mass/yr. We are left with two distinct progenitor scenarios for SN 2013ge, depending on our interpretation of the early emission. If the first component is cooling envelope emission, then the progenitor of SN 2013ge either possessed an extended (greater than or approximately 30 solar radius) envelope or ejected a portion of its envelope in the final less than or approximately 1 yr before core collapse. Alternatively, if the first component is due to outwardly mixed Ni-56, then our observations are consistent with the asymmetric ejection of a distinct clump of

  11. The correlation of electrical conductivity with the microstructure of Ge2Sb2Te5 thin films alloyed with Sn

    NASA Astrophysics Data System (ADS)

    Yin, Qixun; Chen, Leng

    2017-01-01

    In this research, the effects of Sn alloying on structure transformation and electrical characteristics of Ge2Sb2Te5 (GST) thin films were studied. It was discovered that the SnTe phase formed in GST thin films when Sn content exceeded 26 at%, and the addition of Sn atoms expanded the lattice parameter, as a result of atomic radii difference between Ge and Sn atoms. Furthermore, temperature dependent sheet resistance measurements on the GST:Sn thin films were performed for the electrical characteristics to be studied. Sn substitution fraction of 16 at% was discovered to maximize the crystallization temperature of GST thin films. Compared to the GST thin films, crystallization temperature difference and lower amorphous resistance of the GST:Sn thin films were mainly due to lower bonding energy of Sn-Te. Moreover, the amorphous conductivity activation energies (E σ) corresponding to different grain sizes were calculated with the Arrhenius equation. The E σ value of GST:Sn thin films decreased significantly as the Sn content increased due to grain size effects, which appears to improve the temperature stability of conductivity of phase change memory.

  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. 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.

  14. Production of the 178m2Hf isomer using a 1.2 GeV electron accelerator

    NASA Astrophysics Data System (ADS)

    Kirischuk, V. I.; Dovbnya, A. M.; Kandybei, S. S.; Ranyuk, Yu M.; Shevchenko, O. S.; Strilchuk, M. V.

    2013-10-01

    We analyzed possibilities for the production of 178m2Hf isomers in amounts necessary for the preparation of experimental targets. In our case the 178m2Hf isomers were produced during irradiation of the Ta converter by 1.2 GeV electrons at the Kharkiv linear accelerator many years ago. At such high electron energies the concurrent nuclear reactions are very numerous and, though all short-lived nuclei decay completely, the target is contaminated by the significant amount of long-lived nuclides. This allowed us to study the production of not only the 178m2Hf isomer, but also those of 60Co, 101Rh, 102mRh, 108mAg, 133Ba, 150Eu, 152Eu, 154Eu, 158Tb, 173Lu, 174Lu, 172Hf and 179Ta. The production yields and cross-sections for corresponding photonuclear reactions were estimated and compared with the results of other authors and calculations with the aid of the Rudstam formula.

  15. 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.

  16. 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.

  17. Sn-induced low-temperature growth of Ge nanowire electrodes with a large lithium storage capacity

    NASA Astrophysics Data System (ADS)

    Ko, Young-Dae; Kang, Jin-Gu; Lee, Gwang-Hee; Park, Jae-Gwan; Park, Kyung-Soo; Jin, Yun-Ho; Kim, Dong-Wan

    2011-08-01

    We herein present the synthesis of germanium (Ge) nanowires on Au-catalyzed low-temperature substrates using a simple thermal Ge/Sn co-evaporation method. Incorporation of a low-melting point metal (Sn) enables the efficient delivery of Ge vapor to the substrate, even at a source temperature below 600 °C. The as-synthesized nanowires were found to be a core/shell heterostructure, exhibiting a uniform single crystalline Ge sheathed within a thin amorphous germanium suboxide (GeOx) layer. Furthermore, these high-density Ge nanowires grown directly on metal current collectors can offer good electrical connection and easy strain relaxation due to huge volume expansion during Li ion insertion/extraction. Therefore, the self-supported Ge nanowire electrodes provided excellent large capacity with little fading upon cycling (a capacity of ~900 mA h g-1 at 1C rate).We herein present the synthesis of germanium (Ge) nanowires on Au-catalyzed low-temperature substrates using a simple thermal Ge/Sn co-evaporation method. Incorporation of a low-melting point metal (Sn) enables the efficient delivery of Ge vapor to the substrate, even at a source temperature below 600 °C. The as-synthesized nanowires were found to be a core/shell heterostructure, exhibiting a uniform single crystalline Ge sheathed within a thin amorphous germanium suboxide (GeOx) layer. Furthermore, these high-density Ge nanowires grown directly on metal current collectors can offer good electrical connection and easy strain relaxation due to huge volume expansion during Li ion insertion/extraction. Therefore, the self-supported Ge nanowire electrodes provided excellent large capacity with little fading upon cycling (a capacity of ~900 mA h g-1 at 1C rate). Electronic supplementary information (ESI) available: Binary phase diagram of Ge-Sn, SEM images of Ge nanowires grown at various source temperatures, typical TEM image and EDS intensity profile of Ge nanowires, HAADF STEM image and EDS intensity profile of

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

    SciTech Connect

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

    2016-07-14

    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/cm{sup 2} 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.

  19. Electronic Transport Properties of New 2-D Materials GeH and NaSn2As2

    NASA Astrophysics Data System (ADS)

    He, Bin; Cultrara, Nicholas; Arguilla, Maxx; Goldberger, Joshua; Heremans, Joseph

    2-D materials potentially have superior thermoelectric properties compared to traditional 3-D materials due to their layered structure. Here we present electrical and thermoelectric transport properties of 2 types of 2-D materials, GeH and NaSn2As2. GeH is a graphane analog which is prepared using chemical exfoliation of CaGe2 crystals. Intrinsic GeH is proven to be a highly resistive material at room temperature. Resistance and Seebeck coefficient of Ga doped GeH are measured in a cryostat with a gating voltage varying from -100V to 100V. NaSn2As2 is another 2-D system, with Na atom embedded between nearly-2D Sn-As layers. Unlike GeH, NaSn2As2 is a metal based of Hall measurements, with p-type behavior, and with van der Pauw resistances on the order of 5m Ω/square. Thermoelectric transport properties of NaSn2As2 will be reported. This work is support by the NSF EFRI-2DARE project EFRI-1433467.

  20. 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.

  1. 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.

  2. 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.

  3. First-principles calculations of Mg2X (X = Si, Ge, Sn) semiconductors with the calcium fluorite structure

    NASA Astrophysics Data System (ADS)

    Sandong, Guo

    2015-05-01

    The electronic structures of Mg2X (X = Si, Ge, Sn) have been calculated by using generalized gradient approximation, various screened hybrid functionals, as well as Tran and Blaha's modified Becke and Johnson exchange potential. It was found that the Tran and Blaha's modified Becke and Johnson exchange potential provides a more realistic description of the electronic structures and the optical properties of Mg2X (X = Si, Ge, Sn) than else exchange-correlation potential, and the theoretical gaps and dielectric functions of Mg2X (X = Si, Ge, Sn) are quite compatible with the experimental data. The elastic properties of Mg2X (X = Si, Ge, Sn) have also been studied in detail with the generalized gradient approximation, including bulk modulus, shear modulus, Young's modulus, Poisson's ratio, sound velocities, and Debye temperature. The phonon dispersions of Mg2X (X = Si, Ge, Sn) have been calculated within the generalized gradient approximation, suggesting no structural instability, and the measurable phonon heat capacity as a function of the temperature has been also calculated. Project supported by the Fundamental Research Funds for the Central Universities (No. 2013QNA32) and the National Natural Science Foundation of China (No. 11404391).

  4. 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.

  5. 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.

  6. Lithium-stuffed diamond polytype Zn-Tt structures (Tt = Sn, Ge): the two lithium-zinc-tetrelides Li3Zn2Sn4 and Li2ZnGe3.

    PubMed

    Stegmaier, Saskia; Fässler, Thomas F

    2013-03-18

    In view of the search for alternative structures for Li ion battery materials and electron-poor framework semiconductors for thermoelectric applications, the systems Li-Zn-Tt with Tt = Ge or Sn were investigated. Li3Zn2Sn4 and Li2ZnGe3 were obtained by high-temperature syntheses from the elements. The crystal structures of both phases were determined with single-crystal X-ray diffraction methods and the electronic structure of Li3Zn2Sn4 was analyzed by means of DFT calculations (TB-LMTO-ASA). Both phases show diamond polytype analogous Zn-Tt networks with tetrahedrally four-coordinated Zn and Tt atoms. The new phase Li3Zn2Sn4 crystallizes in space group P6(3)/mmc (No. 194) with lattice parameters a = 4.528(1) Å and c = 22.119(2) Å. Zn and Sn atoms are fully ordered on three sites that constitute a 6H diamond polytype like network. Li2ZnGe3 is also described in space group P6(3)/mmc (No. 194) with lattice parameters a = 4.167(1) Å and c = 6.754(1) Å. The Zn-Ge substructure is a hexagonal diamond (2H polytype) like network. The existence of such a Ge-rich Li-Zn-Ge phase has already been reported, but a full structure determination has not yet been published. No indication for an ordering of Zn and Ge atoms on different sites could be deduced from the X-ray diffraction data. Band structure calculations for Li3Zn2Sn4 indicate that the phase is metallic, with the Fermi level at the flank of a pseudogap in the density of states curve. The topological analysis of the electron localization function (ELF) shows covalent Sn-Sn bonding and lone pair like valence basins for the Sn atoms. Concerning the appearance of the lone pair like ELF basins, a strong influence of the basis set for Li that is employed in the calculations is found.

  7. 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

    2015-12-09

    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.

  8. Molecular epitaxy of pseudomorphic Ge1-y Sn y (y = 0.06-0.17) structures and devices on Si/Ge at ultra-low temperatures via reactions of Ge4H10 and SnD4

    NASA Astrophysics Data System (ADS)

    Wallace, P. M.; Senaratne, C. L.; Xu, Chi; Sims, P. E.; Kouvetakis, J.; Menéndez, J.

    2017-02-01

    A low-pressure CVD technique was specifically developed to prepare a new class of pseudomorphic Ge1-y Sn y layers, with an Sn content up to 17% on Ge-buffered Si(100) wafers. The growth is conducted via reactions of SnD4 and the recently deployed Ge4H10 custom precursor, whose large molecular weight and enhanced reactivity enables depositions at unprecedented ultra-low temperatures (150 °C-200 °C), and at pressures akin to those typically employed in solid/gas-source MBE. The thicknesses of the layers far exceed the critical limits predicted by thermodynamic considerations and are either comparable to, or larger than, those observed for MBE-grown samples. This is validated by modeling of the thickness versus the composition for the fully strained and partially relaxed alloys produced in this work relative to the MBE and CVD-grown analogs reported in the literature. Furthermore, the practical relevance of the technique was demonstrated by creating highly doped n-type alloys, which were then used as active layers to fabricate degenerate pn junctions. It was also found that the strained films gradually relax with increasing thickness, providing new types of strain-free material with enhanced optical quality relative to those produced by standard CVD methods, as evidenced by the photoluminescence studies. The strain relaxation mechanism appears to be similar to that observed in CVD-grown samples, with no sign of epitaxial breakdown or precipitous degradation of the bulk crystallinity or surface morphology, in spite of the low growth temperatures employed. Finally, we note that this method represents the first example of a chemically driven route that delivers materials with the desirable properties afforded by MBE, while offering the potential for those practical applications inherent to large-scale CVD.

  9. Activities of oxygen in liquid Bi, Sn, and Ge from electrochemical measurements

    NASA Astrophysics Data System (ADS)

    Otsuka, Shinya; Sano, Toyokazu; Kozuka, Zensaku

    1981-09-01

    Modified coulometric titrations on the galvanic cell: O in liquid Bi, Sn or Ge/ZrO2( + CaO)/Air, Pt, were performed to determine the oxygen activities in liquid bismuth and tin at 973, 1073 and 1173 and in liquid germanium at 1233 and 1373 K. The standard Gibbs energy of solution of oxygen in liquid bismuth, tin and germanium for 1/2 O2 (1 atm) → O (1 at. pct) were determined respectively to be ΔG° (in Bi) = -24450 + 3.42 T (±200), cal· g-atom-1 = - 102310 + 14.29 T (±900), J·g-atom-1, ΔG° (in Sn) = -42140 + 4.90 T (±350), cal· g-aton-1 = -176300 + 20.52 T (± 1500), J-g-atom-1, ΔG° (inGe) = -42310 + 5.31 7 (±300), cal·g-atom-1 = -177020 + 22.21 T(± 1300), J· g-atom-1, where the reference state for dissolved oxygen was an infinitely dilute solution. It was reconfirmed that the modified coulometric titration method proposed previously by two of the present authors produced far more reliable results than those reported by other investigators.

  10. Charge Ordering Transitions in Thin Films of Pb and Sn on Ge(111)

    NASA Astrophysics Data System (ADS)

    Carpinelli, Joseph M.

    1997-03-01

    The electronic response of a material is largely dictated by its Fermi surface. Especially in reduced dimensions, singularities can exist, motivating phase transitions that sacrifice symmetry for a reduction in total energy. One example of such a result, the charge density wave (CDW), incorporates a periodic redistribution of valence charge and usually a lattice distortion. This phenomenon is most prone to occur in crystals of reduced dimensions, such as the quasi 1D and quasi 2D materials(G. Grüner, Density Waves in Solids), Addison-Wesley (1994).. One might expect the loss of coordination at a free surface to likewise invite CDW formation, but few (if any) instances of genuine surface CDWs have been published. In this presentation, however, I report the direct observation and characterization of a gradual and reversible transition localized at both the Pb/Ge(111)-α(J.M. Carpinelli, H.H. Weitering, E.W. Plummer, and R. Stumpf, Nature) 381, 398 (1996). and Sn/Ge(111)-α vacuum interfaces. The origin of ground state charge ordering, structural distortion, and electronic properties will be discussed within a band picture; inadequacies of the non-interacting electron approximation, including its failure to account for the observed Pb/Ge(111)-α metal-nonmetal transition, will be highlighted. Near-perfect growth characteristics of the Sn overlayer facilitate novel study of the nucleation and interactions of the CDW ground state. Correlation between CDW formation and room-temperature Friedel oscillations will be discussed, as will the characteristics of CDW domain boundaries. This research was funded by the National Science Foundation: DMR-9510132 and INT-9307334.

  11. 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.

  12. On the Nature of Bridging Metal Atoms in Intermetalloid Clusters: Synthesis and Structure of the Metal-Atom-Bridged Zintl Clusters [Sn(Ge9 )2 ](4-) and [Zn(Ge9 )2 )](6).

    PubMed

    Bentlohner, Manuel M; Jantke, Laura-Alice; Henneberger, Thomas; Fischer, Christina; Mayer, Kerstin; Klein, Wilhelm; Fässler, Thomas F

    2016-09-19

    The addition of Sn and Zn ions to [Ge9 ] clusters by reaction of [Ge9 ](4-) with SnPh2 Cl2 , ZnCp*2 (Cp*=pentamethylcyclopentadienyl), or Zn2 [HC(Ph2 P=NPh)2 ]2 is reported. The resulting Sn- and Zn-bridged clusters [(Ge9 )M(Ge9 )](q-) (M=Sn, q=4; M=Zn, q=6) display various coordination modes. The M atoms that coordinate to the open square of a C4v -symmetric [Ge9 ] cluster form strong covalent multicenter M-Ge bonds, in contrast to the M atoms coordinating to triangular cluster faces. Molecular orbital analyses show that the M atoms of the Ge9 M fragments coordinate to a second [Ge9 ] cluster with similar orbitals but in different ways. The [Ge9 Sn](2-) unit donates two electrons to the triangular face of a second [Ge9 ](2-) cluster with D3h symmetry, whereas [Ge9 Zn](2-) acts as an electron acceptor when interacting with the triangular face of a D3h -symmetric [Ge9 ](4-) unit. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Diaminogermylene and diaminostannylene derivatives of gold(I): novel AuM and AuM2 (M = Ge, Sn) complexes.

    PubMed

    Cabeza, Javier A; Fernández-Colinas, José M; García-Álvarez, Pablo; Polo, Diego

    2012-03-19

    The reactions of [AuCl(THT)] (THT = tetrahydrothiophene) with 1 equiv of the group 14 diaminometalenes M(HMDS)(2) [M = Ge, Sn; HMDS = N(SiMe(3))(2)] lead to [Au{MCl(HMDS)(2)}(THT)] [M = Ge (1), Sn (2)], which contain a metalate(II) ligand that arises from insertion of the corresponding M(HMDS)(2) reagent into the Au-Cl bond of the gold(I) reagent. While compound 1 reacts with more Ge(HMDS)(2) to give the germanate-germylene derivative [Au{GeCl(HMDS)(2)}{Ge(HMDS)(2)}] (3), which results from substitution of Ge(HMDS)(2) for the THT ligand of 1, an analogous treatment of compound 2 with Sn(HMDS)(2) gives the stannate-stannylene derivative [Au{SnCl(HMDS)(2)}{Sn(HMDS)(2)(THT)}] (4), which has a THT ligand attached to the stannylene tin atom and which, in solution at room temperature, participates in a dynamic process that makes its two Sn(HMDS)(2) fragments equivalent (on the NMR time scale). A similar dynamic process has not been observed for the AuGe(2) compound 3 or for the AuSn(2) derivatives [Au{SnR(HMDS)(2)}{Sn(HMDS)(2)(THT)}] [R = Bu (5), HMDS (6)], which have been prepared by treating complex 4 with LiR. The structures of compounds 1 and 3-6 have been determined by X-ray diffraction.

  14. Density functional theory study of stable configurations of substitutional and interstitial C and Sn atoms in Si and Ge crystals

    NASA Astrophysics Data System (ADS)

    Koyama, Hiroki; Sueoka, Koji

    2017-04-01

    Group IV semiconductor compounds, e.g., Si and Ge containing substitutional C (Cs) and/or Sn (Sns) atoms (mono-doping and co-doping) with contents of several % are attracting attention for application to solar cells because they are good for the environment and have an affinity with Si materials. In this study, we evaluate the stable configurations of C and/or Sn atoms in Si (Ge) crystals with a focus on the formation of interstitial C (Ci) atoms by means of density functional theory calculations. The Hakoniwa method proposed by Kamiyama et al. (2016) is applied to a 64-atom supercell to obtain the thermal equilibrium ratio of Ci to the total C atoms. The results of the analysis are fourfold. First, the isolated Cs atom is stabler than the isolated Ci atom in both Si and Ge crystals, and it is stabler in Si than in Ge. The isolated Sns atom is much stabler that Sni as well, but it is stabler in Ge than Si. Second, a Ci atom is formed in a [0 0 1] oriented Ci-Cs pair in Ge crystals with the ratio of 7.7% to total C atoms at 450 °C when the concentration of uniformly distributed C atoms is about 3%. Third, the difference of the formation energy of Ci and Cs in Si decreases to about 0.3 eV with an increase in the concentration of uniformly distributed C atoms up to 6%. Fourth, the co-doping of C and Sn suppresses the formation of Ci atoms in Si and Ge crystals. The results obtained here are useful for the prediction of possible atomic configurations of C and/or Sn in Si and Ge for solar cell application.

  15. Field effect in perovskite heterostructures based on BaSnO3 and BaHfO3

    NASA Astrophysics Data System (ADS)

    Kim, Young Mo; Park, Chulkwon; Kim, Useong; Shin, Juyeon; Kim, Youjung; Char, Kookrin

    Perovskite La-doped BaSnO3 (BLSO) was reported to possess high electron mobility and excellent oxygen stability. We fabricated a field effect transistor on SrTiO3 substrate using BLSO as a channel layer and BaHfO3 (BHO) as a gate insulator. To reduce the threading dislocations and enhance the electrical properties of the channel, undoped BaSnO3 (BSO) buffer layer was grown on SrTiO3 substrates before the channel layer deposition. X-ray diffraction measurement confirms the epitaxial growth of BHO on BSO. We investigated optical and dielectric properties of the BHO gate insulator; the optical bandgap and the dielectric constant were measured to be 6.1 eV and 37.8, respectively. Using BHO as the gate insulator, we obtained the conductivity modulation in the channel by field effect. We will report on the electrical properties of the field effect transistor such as the output characteristics, the transfer characteristics, the Ion/Ioff ratio, the subthreshold swing and the field effect mobility.

  16. On the interplay between relaxation, defect formation, and atomic Sn distribution in Ge{sub (1−x)}Sn{sub (x)} unraveled with atom probe tomography

    SciTech Connect

    Kumar, A. Bran, J. Melkonyan, D. Shimura, Y. Vandervorst, W.; Demeulemeester, J. Bogdanowicz, J. Fleischmann, C. Loo, R.; Gencarelli, F. Wang, W.

    2015-07-14

    Ge{sub (1−x)}Sn{sub (x)} has received a lot of interest for opto-electronic applications and for strain engineering in advanced complementary-metal-oxide-semiconductor technology, because it enables engineering of the band gap and inducing strain in the alloy. To target a reliable technology for mass application in microelectronic devices, the physical problem to be addressed is to unravel the complex relationship between strain relaxation (as induced by the growth of large layer thicknesses or a thermal anneal) and defect formation, and/or stable Sn-cluster formation. In this paper, we study the onset of Sn-cluster formation and its link to strain relaxation using Atom Probe Tomography (APT). To this end, we also propose a modification of the core-linkage [Stephenson et al., Microsc. Microanal. 13, 448 (2007)] cluster analysis method, to overcome the challenges of limited detection efficiency and lateral resolution of APT, and the quantitative assessment for very small clusters (<40 atoms) embedded in a random distribution of Sn-atoms. We concluded that the main relaxation mechanism for these layers is defect generation (misfit dislocations, threading dislocations, etc.), irrespective of the cause (thickness of layer or thermal anneal) of relaxation and is independent of the cluster formation. The low thermodynamic solubility limit of Sn in Ge seems to be the driving force for Sn-cluster formation. Finally, we also discuss the spatial distribution of Sn in clusters and relate them to the theoretically predicted stable Sn clusters [Ventura et al., Phys. Rev. B 79, 155202 (2009)].

  17. 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.

  18. Vibrational properties of the gallium monohydrides SrGaGeH, BaGaSiH, BaGaGeH, and BaGaSnH

    SciTech Connect

    Evans, Michael J.; Lee, Myeong H.; Holland, Gregory P.; Daemen, Luke L.; Sankey, Otto F.; Haeussermann, Ulrich

    2009-08-15

    Vibrational properties of the gallium monohydrides SrGaGeH, BaGaSiH, BaGaGeH, and BaGaSnH (AeGaTtH) have been investigated by means of inelastic neutron scattering (INS) and first principles calculations. The compounds contain separated Ga-H units being part of a two dimensional polyanionic layer, [TtGaH]{sup 2-} (Tt=Si, Ge, Sn). The INS spectra show internal Ga-H bending and stretching modes at frequencies around 900 and 1200 cm{sup -1}, respectively. While the stretching mode is virtually invariant with respect to the variable chemical environment of the Ga-H unit, the bending mode frequency varies and is highest for BaGaSiH and lowest for BaGaSnH. The stretching mode is a direct measure of the Ga-H bond strength, whereas the bending mode reflects indirectly the strength of alkaline earth metal-hydrogen interaction. Accordingly, the terminal Ga-H bond in solid state AeGaTtH is distinct, but-compared to molecular gallium hydrides-very weak. - Graphical abstract: Vibrational properties of the gallium monohydrides SrGaGeH, BaGaSiH, BaGaGeH, and BaGaSnH have been investigated and revealed Ga-H stretching mode frequencies around 1200 cm{sup -1}. This implies that the terminal Ga-H bond in solid state polyanionic gallium hydrides is very weak compared to molecular gallium hydride species.

  19. Theory for n-type doped, tensile-strained Ge-Si(x)Ge(y)Sn1-x-y quantum-well lasers at telecom wavelength.

    PubMed

    Chang, Guo-En; Chang, Shu-Wei; Chuang, Shun Lien

    2009-07-06

    We propose and develop a theoretical gain model for an n-doped, tensile-strained Ge-Si(x)Ge(y)Sn(1-x-y) quantum-well laser. Tensile strain and n doping in Ge active layers can help achieve population inversion in the direct conduction band and provide optical gain. We show our theoretical model for the bandgap structure, the polarization-dependent optical gain spectrum, and the free-carrier absorption of the n-type doped, tensile-strained Ge quantum-well laser. Despite the free-carrier absorption due to the n-type doping, a significant net gain can be obtained from the direct transition. We also present our waveguide design and calculate the optical confinement factors to estimate the modal gain and predict the threshold carrier density.

  20. 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.

  1. Thermal and optical characterization of Ge-Sn-Se glass system

    NASA Astrophysics Data System (ADS)

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

    2015-03-01

    Thermal and optical characterization of Ge x Sn10Se90- x ( x = 14, 18, 22, 26) glasses has been carried out using differential scanning calorimetry and UV-VIS-NIR spectroscopy, respectively. Bulk samples were prepared using conventional melt quenching technique. Amorphous nature of the prepared samples was confirmed using X-ray diffraction. The transmission spectra of as deposited films, for normal incidence, were recorded in the range 400-2,500 nm. Optical constants such as absorption coefficient, refractive index and extinction coefficients have been determined using the envelope method. Dispersion of refractive index has been analyzed using single-effective oscillator model. Optical band gap has been measured using Tauc plots. Effect of composition variation on thermal and optical properties has been discussed in view of chemical bond approach.

  2. 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.

  3. Pressure induced structural phase transition of XC (X = Si, Ge, Sn)

    NASA Astrophysics Data System (ADS)

    Kaurav, N.; Verma, S.; Choudhary, K. K.; Sharma, U.; Shah, S.

    2012-05-01

    An effective interionic interaction potential (EIOP) is developed to investigate the pressure induced phase transitions from ZnS-type (B3) to NaCl-type (B1) in XC [X = Si, Ge, and Sn] compounds. The long range Coulomb, van der Waals (vdW) interaction and the short-range repulsive interaction up to second-neighbor ions within the Hafemeister and Flygare approach with modified ionic charge are properly incorporated in the EIOP. The vdW coefficients are computed following the Slater-Kirkwood variational method, as both the ions are polarizable. The estimated value of the phase transition pressure (Pt) and the magnitude of the discontinuity in volume at the transition pressure are consistent as compared to the reported data. The vast volume discontinuity in pressure volume phase diagram identifies the structural phase transition from B3 to B1 structure.

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

    SciTech Connect

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

    2016-05-09

    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.

  5. 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.

  6. 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.

  7. 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

  8. 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.

  9. 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.

  10. 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.

  11. Electronic structure of SnxGe1-x alloys for small Sn compositions: Unusual structural and electronic properties

    NASA Astrophysics Data System (ADS)

    Chibane, Y.; Ferhat, M.

    2010-03-01

    The full potential augmented plane wave plus local orbital method using the local density approximation within the framework of density functional theory is applied to investigate structural, electronic, and thermodynamic properties of SnxGe1-x alloys for small Sn compositions (x =0.0625, 0.125, 0.1875, and 0.25). For the structural properties, we found strong deviation from Vegard's law for the variation in the lattice parameter, moreover, this deviation is found positive as found experimentally. This feature is in direct contrast with conventional IV-IV alloys, were the deviation of the variation in the lattice parameter from Vegard's law is generally weak and negative. The calculated bond lengths of Sn-Ge, also show significant departures of bond lengths from the virtual crystal approximation (VCA). The calculations confirm a strong band gap reduction in Ge. For small Sn incorporation, the calculated optical band gap bowing (i.e., bowing of the direct band gap) is found strongly composition dependent. For small Sn composition (x =0.0625), we found a strong optical band gap bowing of 2.9 eV, in very good agreement with the measured values at low Sn composition of 2.8 eV of [He and Atwater, Phys. Rev. Lett. 79, 1937 (1997)] and 2.84 eV of Pérez Ladrón de Guevara et al. [Appl. Phys. Lett. 91, 161909 (2007)]. For small composition regime (0Sn atoms, we notice that the clustering has a strong influence on the direct band gap; the maximal (minimal) Sn-clustered configurations have the highest (lowest) band gap. From a detailed analysis of the physical origin of the optical band gap bowing, we found that the relative contribution of the three components [volume deformation (VD

  12. 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

  13. 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.

  14. Magnetic structures and physical properties of Tm3Cu4Ge4 and Tm3Cu4Sn4.

    PubMed

    Baran, S; Kaczorowski, D; Szytuła, A; Gil, A; Hoser, A

    2013-02-13

    Tm(3)Cu(4)Ge(4) crystallizes in the orthorhombic Gd(3)Cu(4)Ge(4)-type crystal structure (space group Immm) whereas Tm(3)Cu(4)Sn(4) crystallizes in a distorted variant of this structure (monoclinic space group C2/m). The compounds were studied by means of neutron diffraction, specific heat, electrical resistivity and magnetic measurements. Analysis of experimental data revealed the presence of an antiferromagnetic order below 2.8 K in both compounds. In Tm(3)Cu(4)Ge(4) the magnetic unit cell is doubled in respect to the crystal unit cell and the magnetic structure can be described by a propagation vector k = [0, 1/2, 0]. A larger magnetic unit cell was found in Tm(3)Cu(4)Sn(4), given by a propagation vector k = [1/2, 1/2, 0] (for simplicity the orthorhombic description is used for both the germanide and the stannide). Close to 2 K, in each compound an incommensurate antiferromagnetic order develops. This low-temperature magnetic phase is characterized by a propagation vector k = [1/4, 0, k(z)], where k(z) is close to 0.49 and 0.47 in Tm(3)Cu(4)Ge(4) and Tm(3)Cu(4)Sn(4), respectively. The antiferromagnetic phase transitions are clearly seen in the bulk magnetic and specific heat data of both compounds.

  15. Structural and Optical Characteristics of GeSn Quantum Wells for Silicon-Based Mid-Infrared Optoelectronic Applications

    NASA Astrophysics Data System (ADS)

    Dou, Wei; Ghetmiri, Seyed Amir; Al-Kabi, Sattar; Mosleh, Aboozar; Zhou, Yiyin; Alharthi, Bader; Du, Wei; Margetis, Joe; Tolle, John; Kuchuk, Andrian; Benamara, Mourad; Li, Baohua; Naseem, Hameed A.; Mortazavi, Mansour; Yu, Shui-Qing

    2016-12-01

    This paper reports the study of Ge0.95Sn0.05/Ge0.91Sn0.09/Ge0.95Sn0.05 single quantum well (SQW) and double quantum wells (DQWs). The quantum well (QW) structures were grown on Ge buffered Si substrates using an industrial standard reduced-pressure chemical vapor deposition system. Pseudomorphically grown structures were observed using x-ray diffraction measurements. Defect-free interfaces between each layer were revealed using cross-sectional transmission electron microscopy. Atomic-scale high-resolution transmission electron microscopy and Fourier transform patterns exhibited the high crystalline quality of QWs. Temperature-dependent photoluminescence (PL) was performed, and the emission peaks attributed to the QW region were identified. The dominant optical transition changed from direct bandgap transition at 300 K to indirect bandgap transition at 10 K. Theoretical calculation showed the type-I band alignment for the QWs. Moreover, the Γ and L valley electron distributions and non-radiative lifetimes were evaluated, which further explained the PL characteristics of the QW samples.

  16. Structural and electronic properties of Al12X+ (X=C, Si, Ge, Sn, and Pb) clusters.

    PubMed

    Chen, G; Kawazoe, Y

    2007-01-07

    Using the first-principles method with the generalized gradient approximation, the authors have studied the structural and electronic properties of Al(12)X(+) (X=C, Si, Ge, Sn, and Pb) clusters in detail. The ground state of Al(12)C(+) is a low symmetry C(s) structure instead of an icosahedron. However, the Si, Ge, Sn, and Pb atom doped cationic clusters favor icosahedral structures. The ground states for Al(12)Si(+) and Al(12)Ge(+) are icosahedra, while the C(5nu) structures optimized from an icosahedron with a vertex capped by a tetravalent atom have the highest binding energy for Al(12)Sn(+) and Al(12)Pb(+) clusters. The I(h) structure and the C(5nu) structure are almost degenerate for Al(12)Ge(+), whose binding energy difference is only 0.03 eV. The electronic properties are altered much by removing an electron from the neutral cluster. The binding strength of a valence electron is enhanced, while the binding energy of the cluster is reduced much. Due to the open electronic shell, the band gaps between the highest occupied molecular orbital and the lowest unoccupied molecular orbital are approximately 0.3 eV for the studied cationic clusters.

  17. Ultra soft pseudo potential investigation of fundamental physical properties of CaXO3 (X=Sn and Hf) distorted perovskites: A reference study to the perfect perovskites

    NASA Astrophysics Data System (ADS)

    Cherrad, Djellal; Maouche, D.; Boudissa, M.; Reffas, M.; Louail, L.; Maamache, M.; Haddadi, K.; Medkour, Y.

    2013-11-01

    The structural, electronic and optical properties of CaXO3 distorted perovskites compounds have been investigated by employing the Vanderbilt Ultra Soft Pseudo Potential (US-PP) using the plane wave method (PW) within density functional theory (DFT) and the local density approximation LDA. The studies of the dependence with pressure of enthalpies have confirmed the excellent mechanical stability of these materials. We have found that these compounds have a direct band gaps (G-G). The (110) charge density contour show that these distorted compounds exhibit a zig zag electronic short chains in contrast of ideal perovskites presenting a perfectly aligned chains. Elastic-electronic correlation was established between Cij individual elastic constant and the bonding-anti bonding chemical bonds. After that, some above properties were studied under hydrostatic pressure effect. CaSnO3 perovskite was very sensitive towards pressure than CaHfO3. The reflectivity maximum of these materials occurs in the ultra-violet energy ranges, which indicate that these perovskites can serve in some technological applications. Optical anisotropy shows that the compound CaSnO3 is considered as more anisotropic than CaHfO3. Furthermore, anisotropy maximum was found to be according to [0 1 0] and [1 0 0] directions for CaHfO3 and CaSnO3, respectively.

  18. 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.

  19. All-epitaxial Co{sub 2}FeSi/Ge/Co{sub 2}FeSi trilayers fabricated by Sn-induced low-temperature epitaxy

    SciTech Connect

    Kawano, M.; Ikawa, M.; Arima, K.; Yamada, S.; Kanashima, T.; Hamaya, K.

    2016-01-28

    We demonstrate low-temperature growth of all-epitaxial Co{sub 2}FeSi/Ge/Co{sub 2}FeSi trilayer structures by developing Sn-induced surfactant-mediated molecular beam epitaxy (SMBE) of Ge on Co{sub 2}FeSi. Despite the growth of a semiconductor on a metal, we verify that the inserted Sn monolayers between Ge and Co{sub 2}FeSi enable to promote the 2D epitaxial growth of Ge up to 5 nm at a T{sub G} of 250 °C. An understanding of the mechanism of the Sn-induced SMBE leads to the achievement of all-epitaxial Co{sub 2}FeSi/Ge/Co{sub 2}FeSi trilayer structures with spin-valve-like magnetization reversals. This study will open a way for vertical-type and high-performance Ge-based spintronics devices.

  20. Effect of SnI2 on the thermal and optical properties of Ge-Se-Te glasses

    NASA Astrophysics Data System (ADS)

    Wang, Guoxiang; Nie, Qiuhua; Shen, Xiang; Wang, Xunsi; Chen, Fen; Dai, Shixun; Xu, Tiefeng

    2012-07-01

    A systematic series of (Ge20Se15Te65)1-x-(SnI2)x (x = 0, 0.05, 0.1, 0.15) chalcogenide glasses have been prepared. The amorphous nature can be confirmed by XRD and SEM. With the SnI2 content increasing, the indirect optical band gaps are decreased from 0.662 to 0.622 eV according to Tauc laws. The introduction of SnI2 makes the glasses much easier to prepare and more stable against crystallization, making them drawable as optical fibers. The highest ΔT (130 °C) value for (Ge20Se15Te65)0.9-(SnI2)0.1 glass composition can be obtained. A slight red-shifting of the long-wavelength cutting-off edge from 18.4 to 19.4 μm was shown and it seems that SnI2 in these glasses offers the improvement in the far-infrared properties.

  1. 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.

  2. The BM5Se9 phases (B = Al, Ga, Ge, Sb, Sn; M = V, Nb, Ta): superconductors or ferromagnets?

    NASA Astrophysics Data System (ADS)

    Leblanc-Soreau, A.; Molinié, P.; Jumas, J. C.

    2004-05-01

    The dissolution of some intermetallic A15 compounds in lamellar metallic diselenides (2H-NbSe2, 2H-TaSe2 and 1T-VSe2) results in original phases. Syntheses performed in the Nb3Sn/NbSe2, Nb3Ge/NbSe2, Nb3Sn/TaSe2, V3Ga/NbSe2, Nb3Sb/NbSe2 V3Ga/VSe2 systems lead to the formation of the BM5Se9 phases ( superconductors or ferromagnets). The Tc values vary from 17.5(2) K for SnNb5Se9 to 4.5(2) K for GeNb5Se9. For the ferromagnet GaV5Se9, the ESR study shows two vanadium sites with axial symmetries. Previous results in Mössbauer and Raman studies showing the existence of B-M entities, are in agreement with the Mössbauer ones obtained on SnNb5Se9 which could be obtained without any superconducting behaviour. The comparison could be done between the 3 superconductors GaNb5Se9, SnNb5Se9, SnNb0.5Ta4.5Se9 and the 3 ferromagnets GaV5Se9, Sn0.94Ga0.05Nb4.70V0.30Se9, GaV0.15Ta4.85Se9, the presence of V probably modifies the superconducting exchanges and allows ferromagnetic couplings.

  3. 125Te NMR chemical-shift trends in PbTe-GeTe and PbTe-SnTe alloys.

    PubMed

    Njegic, B; Levin, E M; Schmidt-Rohr, K

    2013-01-01

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

  4. The effect of Ge, Si and Sn phthalocyanine photosensitizers on cell proliferation and viability of human oesophageal carcinoma cells.

    PubMed

    Seotsanyana-Mokhosi, Itumeleng; Kresfelder, Tina; Abrahamse, Heidi; Nyokong, Tebello

    2006-04-03

    The photodynamic activity of water soluble mixed sulfonated metallophthalocyanines complexes: GePcSmix, SnPcSmix and SiPcSmix on human oesophageal carcinoma (SNO) cells are reported, and compared with the activity of the unmetallated H2PcSmix and of the newly synthesized water soluble adjacently substituted binaphthalo phthalocyanine (complex 3). The alkaline phosphate (ALP) showed damage to the cell membrane in the presence of complex 3 without irradiation. The GePcSmix complex caused a relatively large increase in inflammation and a high intracellular ATP.

  5. Improved interfacial and electrical properties of HfLaON gate dielectric Ge MOS capacitor by NbON/Si dual passivation layer and fluorine incorporation

    NASA Astrophysics Data System (ADS)

    Huang, Yong; Xu, Jing-Ping; Liu, Lu; Lai, Pui-To; Tang, Wing-Man

    2016-11-01

    Ge metal-oxide-semiconductor (MOS) capacitor with HfLaON/(NbON/Si) stacked gate dielectric and fluorine-plasma treatment is fabricated, and its interfacial and electrical properties are compared with its counterparts without the Si passivation layer or the fluorine-plasma treatment. The experimental results show that the HfLaON/(NbON/Si) Ge MOS device treated by fluorine plasma exhibits excellent performance: low interface-state density (4.3 × 1011 cm-2 eV-1), small flatband voltage (0.22 V), good capacitance-voltage behavior, small frequency dispersion and low gate leakage current (4.18 × 10-5 A/cm2 at Vg = Vfb + 1 V). These should be attributed to the suppressed growth of unstable Ge oxides on the Ge surface during gate-dielectric annealing by the NbON/Si dual interlayer and fluorine incorporation, thus reducing the defective states at/near the NbSiON/Ge interface and improving the electrical properties of the device.

  6. Investigation of the GeO2-1,6-diaminohexane-water-pyridine-HF phase diagram leading to the discovery of two novel layered germanates with extra-large rings.

    PubMed

    Guo, Bing; Inge, Andrew K; Bonneau, Charlotte; Sun, Junliang; Christensen, Kirsten E; Yuan, Zhong-Yong; Zou, Xiaodong

    2011-01-03

    The systematic exploration of the phase diagram of the GeO(2)-1,6-diaminohexane-water-pyridine-HF system has allowed the identification of specific roles of the HF, H(2)O contents, and HF/H(2)O ratio in the formation of Ge(7)X(19) (Ge(7)), Ge(9)X(25-26) (Ge(9)), and Ge(10)X(28) (Ge(10)) clusters (X = O, OH, F). This work has led to the discovery of two novel structures with extra-large 18-membered rings accommodating 1,6-diaminohexane (DAH): SU-63, |1.5H(2)DAH|[Ge(7)O(14)X(3)]·2H(2)O, a layered germanate constructed from Ge(7) clusters with the Kagomé topology, and SU-64, |11H(2)DAH|[Ge(9)O(18)X(4)][Ge(7)O(14)X(3)](6)·16H(2)O, a germanate built of two-dimensional slabs containing both Ge(7) and Ge(9) clusters (X = OH or F). We also put SU-64 in context with previously reported cluster germanate compounds with related topologies by means of a simple crystal deconstruction study.

  7. Investigation of half-metallicity of GeKMg and SnKMg by Using mBJ potential method

    NASA Astrophysics Data System (ADS)

    Malsawmtluanga, T.; Vanlalruata, Benjamin; Thapa, R. K.

    2016-10-01

    The electronic structures, magnetic properties and half-metallicity of GeKMg and SnKMg half- Heusler compounds have been investigated by the first- principles calculations based on the density functional theory. The spin-polarized calculations using full-potential linearized augmented plane-wave (FP-LAPW) method was utilized for the study of the compounds. The modified Becke-Johnson (mBJ) exchange potential was employed for a better description of the half metallic response of the two compounds. We have found that GeKMg and SnKMg alloys are half-metallic ferromagnets with the magnetic moment of 1 μB per formula unit at equilibrium lattice constant.

  8. Tetrel bond of pseudohalide anions with XH3F (X = C, Si, Ge, and Sn) and its role in SN2 reaction

    NASA Astrophysics Data System (ADS)

    Liu, Mingxiu; Li, Qingzhong; Cheng, Jianbo; Li, Wenzuo; Li, Hai-Bei

    2016-12-01

    The complexes of XH3F⋯ N3-/OCN-/SCN- (X = C, Si, Ge, and Sn) have been investigated at the MP2/aug-cc-pVTZ(PP) level. The σ-hole of X atom in XH3F acts as a Lewis acid forming a tetrel bond with pseudohalide anions. Interaction energies of these complexes vary from -8 to -50 kcal/mol, mainly depending on the nature of X and pseudohalide anions. Charge transfer from N/O/S lone pair to X-F and X-H σ* orbitals results in the stabilization of these complexes, and the former orbital interaction is responsible for the large elongation of X-F bond length and the remarkable red shift of its stretch vibration. The tetrel bond in the complexes of XH3F (X = Si, Ge, and Sn) exhibits a significant degree of covalency with XH3F distorted significantly in these complexes. A breakdown of the individual forces involved attributes the stability of the interaction to mainly electrostatic energy, with a relatively large contribution from polarization. The transition state structures that connect the two minima for CH3Br⋯ N3-complexhave been localized and characterized. The energetic, geometrical, and topological parameters of the complexes were analyzed in the different stages of the SN2 reaction N3- + CH3Br → Br- + CH3N3.

  9. Tetrel bond of pseudohalide anions with XH3F (X = C, Si, Ge, and Sn) and its role in SN2 reaction.

    PubMed

    Liu, Mingxiu; Li, Qingzhong; Cheng, Jianbo; Li, Wenzuo; Li, Hai-Bei

    2016-12-14

    The complexes of XH3F⋯N3(-)/OCN(-)/SCN(-) (X = C, Si, Ge, and Sn) have been investigated at the MP2/aug-cc-pVTZ(PP) level. The σ-hole of X atom in XH3F acts as a Lewis acid forming a tetrel bond with pseudohalide anions. Interaction energies of these complexes vary from -8 to -50 kcal/mol, mainly depending on the nature of X and pseudohalide anions. Charge transfer from N/O/S lone pair to X-F and X-H σ(*) orbitals results in the stabilization of these complexes, and the former orbital interaction is responsible for the large elongation of X-F bond length and the remarkable red shift of its stretch vibration. The tetrel bond in the complexes of XH3F (X = Si, Ge, and Sn) exhibits a significant degree of covalency with XH3F distorted significantly in these complexes. A breakdown of the individual forces involved attributes the stability of the interaction to mainly electrostatic energy, with a relatively large contribution from polarization. The transition state structures that connect the two minima for CH3Br⋯N3(-) complex have been localized and characterized. The energetic, geometrical, and topological parameters of the complexes were analyzed in the different stages of the SN2 reaction N3(-) + CH3Br → Br(-) + CH3N3.

  10. Fabrication of tensile-strained single-crystalline GeSn on transparent substrate by nucleation-controlled liquid-phase crystallization

    NASA Astrophysics Data System (ADS)

    Oka, Hiroshi; Amamoto, Takashi; Koyama, Masahiro; Imai, Yasuhiko; Kimura, Shigeru; Hosoi, Takuji; Shimura, Takayoshi; Watanabe, Heiji

    2017-01-01

    We developed a method of forming single-crystalline germanium-tin (GeSn) alloy on transparent substrates that is based on liquid-phase crystallization. By controlling and designing nucleation during the melting growth process, a highly tensile-strained single-crystalline GeSn layer was grown on a quartz substrate without using any crystal-seeds or catalysts. The peak field-effect hole mobility of 423 cm2/V s was obtained for a top-gate single-crystalline GeSn MOSFET on a quartz substrate with a Sn content of 2.6%, indicating excellent crystal quality and mobility enhancement due to Sn incorporation and tensile strain.

  11. Preparation and evaluation of SnO2-based 68Ge/68Ga generator made from 68Ge produced through (nat)Zn(α,xn) reaction.

    PubMed

    Das, Sujata Saha; Chattopadhyay, Sankha; Alam, Md Nayer; Madhusmita; Barua, Luna; Das, Malay Kanti

    2013-09-01

    (68)Ge was produced by (nat)Zn(α,xn)(68)Ge reaction and its production yield was 31.82 kBq/μAh (0.86 μCi/μAh) at the end of irradiation (EOI). A simple chromatographic method using a SnO2 column was employed to separate (68)Ge from the target material and the co-produced non-isotopic radioisotope impurities. (68)Ge retained in the column served as the (68)Ge/(68)Ga generator. Elution efficiency of the column was about 60%. First 2 ml of the eluate contained more than 95% of the elutable activity. Post-elution purification cum concentration was done with a small cation exchange resin column. The presence of the inactive tin ions in the (68)Ga eluate was determined by the ICP-OES technique and was found to be about 0.03 ppm. Radiochemical purity of the final (68)Ga preparation was more than 99.99% and it was found to be suitable for making complex with ethylenediamine-N,N,N',N'-tetrakis(methylene phosphonic acid) (EDTMP). Copyright © 2013 Elsevier Ltd. All rights reserved.

  12. Electronic structure and magnetism of Ge(Sn)TMXTe1-X (TM = V, Cr, Mn): A first principles study

    NASA Astrophysics Data System (ADS)

    Liu, Yong; Bose, S. K.; Kudrnovský, J.

    2016-12-01

    This work presents the results of first principles calculations of the electronic and magnetic properties of the compound SnTe and GeTe in zinc blende (ZB) and rock salt (RS) structures, doped with 3d transition metal V, Cr, and Mn. The present study, initiated from the viewpoint of potential application in spintronics, is motivated by our earlier work involving these two compounds, where the doping was limited to the Sn and Ge sublattices. In view of some discrepancies between our calculated results and the available experimental data, in this work we have examined the effect of the Te-sublattice doping. The case of Mn-doping, where the previous results of calculations seemed to differ most from the experimentally available data, is examined further by looking at the effect of Mn atoms partially occupying interstitial sites as well. From the standpoint of potential application in spintronics, we look for half-metallic (HM) states and tabulate their properties in both rock salt and zinc blende structures. ZB structure is found to be more conducive to HM state in general. Among the binary compounds we identify several HM candidates: VGe, VSn, MnGe, MnSn and MnTe at their equilibrium volumes and all in ZB structure. Estimates of the Curie temperature for the ferromagnetic compounds including the half-metals are presented. It is shown that despite the ferromagnetic (FM) nature of the Mn-Mn interaction for the Te-doped case, a simultaneous doping of both Ge(Sn)- and Te-sublattice with Mn atoms would leave the material predominantly antiferromagnetic (AFM).

  13. Mechanical and electronic properties of pristine and Ni-doped Si, Ge, and Sn sheets

    NASA Astrophysics Data System (ADS)

    Manjanath, Aaditya; Kumar, Vijay; Singh, Abhishek

    2014-03-01

    Silicene, a graphene analogue of silicon, has been generating immense interest due to its potential for applications in miniaturized devices. Unlike planar graphene, silicene prefers a buckled structure. Here we explore the possibility of stabilizing a planar form of silicene by Ni doping using first principles density functional theory based calculations. It is found that planar as well as buckled structure is stable for the Ni doped silicene, but the buckled sheet has slightly lower total energy. The planar silicene sheet has unstable phonon modes. A comparative study of the mechanical properties reveals that the in-plane stiffness of both the pristine and the doped planar silicene is higher compared to that of the buckled silicene. This suggests that planar silicene is mechanically more robust. Electronic structure calculations of the planar and buckled Ni-doped silicene show that the energy bands at the Dirac point transform from linear behavior to parabolic dispersion. Furthermore, we extend our study to Ge and Sn sheets that are also stable and the trends of comparable mechanical stability of the planar and buckled phases remain the same.

  14. Anomalous Hall Effect and Topological Defects in Antiferromagnetic Weyl Semimetals: Mn3Sn /Ge

    NASA Astrophysics Data System (ADS)

    Liu, Jianpeng; Balents, Leon

    2017-08-01

    We theoretically study the interplay between bulk Weyl electrons and magnetic topological defects, including magnetic domains, domain walls, and Z6 vortex lines, in the antiferromagnetic Weyl semimetals Mn3Sn and Mn3Ge with negative vector chirality. We argue that these materials possess a hierarchy of energy scales, which allows a description of the spin structure and spin dynamics using an X Y model with Z6 anisotropy. We propose a dynamical equation of motion for the X Y order parameter, which implies the presence of Z6 vortex lines, the double-domain pattern in the presence of magnetic fields, and the ability to control domains with current. We also introduce a minimal electronic model that allows efficient calculation of the electronic structure in the antiferromagnetic configuration, unveiling Fermi arcs at domain walls, and sharp quasibound states at Z6 vortices. Moreover, we have shown how these materials may allow electronic-based imaging of antiferromagnetic microstructure, and propose a possible device based on the domain-dependent anomalous Hall effect.

  15. Half-metallicity and magnetism of quaternary Heusler compounds CoRuTiZ (Z=Si, Ge, and Sn)

    NASA Astrophysics Data System (ADS)

    Bahramian, S.; Ahmadian, F.

    2017-02-01

    First-principle calculations based on the density functional theory for new quaternary Heusler compounds CoRuTiZ (Z=Si, Ge, and Sn) were performed. It was found that all three compounds were stable at YI structure in ferromagnetic state. The CoRuTiSi, CoRuTiGe, and CoRuTiSn were half-metal with integer magnetic moments of 1.00 μB per formula unit and half-metallic gaps of 0.13, 0.10, and 0.01 eV at their equilibrium volume, respectively. The density of states (DOSs) and band structures of these compounds were studied and the origin of half-metallicity was discussed. The CoRuTiSi, CoRuTiGe, and CoRuTiSn compounds showed half-metallic characteristics at lattice constants ranges of 5.77-6.36 Å, 5.66-6.16 Å, and 5.83-6.23 Å, indicating the lattice distortion did not affect the half-metallic properties of these compounds which makes them interesting materials in the spintronic field.

  16. Valence band studies of the RTX (R=Pr, Nd; T=Cu, Ag, Au; X=Ge, Sn) compounds

    NASA Astrophysics Data System (ADS)

    Szytuła, A.; Jezierski, A.; Penc, B.; Fus, D.

    2000-12-01

    The valence band in the RTX (R=Pr, Nd; T=Cu, Ag, Au; X=Ge, Sn) compounds was studied by the X-ray photoemission spectroscopy. The XPS data were compared with the ones calculated using the spin-polarized tight-binding linear muffin-tin orbital (TB LMTO) method. The obtained results show that the valence bands are determined mainly by the Cu 3d, Ag 4d and Au 5d bands. The calculation of the total energy for two models of the crystal structure: an ordered of the LiGaGe-type and a disordered one of the CaIn 2-type indicates that in the RTSn (T=Cu, Ag ,Au) compounds the LiGaGe-type structure is stable. Calculated value of the Pr magnetic moment is smaller than that of the free Pr 3+ ion value, whereas the Nd magnetic moment is equal to the free Nd 3+ ion value.

  17. Ordered Structures and Thermoelectric Properties of MNiSn (M = Ti, Zr, Hf)-Based Half-Heusler Compounds Affected by Close Relationship with Heusler Compounds

    NASA Astrophysics Data System (ADS)

    Kimura, Yoshisato; Chai, Yaw-Wang

    2015-01-01

    Half-Heusler compounds are excellent thermoelectric materials. A characteristic of the half-Heusler-type ordered structure is the vacancy site that occupies one-fourth of all the lattice points. Therefore, a half-Heusler ABX phase (where A and B are typically transition metal elements, such as Ti, Zr, and Hf, and X represents a half-metal element such as Sn or Sb) has a crystallographically close relationship with a Heusler AB2X phase in the sense that the vacancy site in the half-Heusler phase is filled with B atoms in the Heusler phase. The thermoelectric properties are improved or affected by point lattice defects related to the vacancy site and the B site, such as the antisite atom B in the vacancy site, vacancies in the B site, and vacancy-site occupancy by quaternary C atoms. A modulated-like nanostructure due to point defects regarding vacancies and Ni atoms is formed for an instance in ZrNiSn alloys even close to the stoichiometric composition. Ni-rich nanoclusters are locally formed by excessive Ni antisite atoms in the vacancy site, which work as precursors of Heusler precipitates (TiNi2Sn, ZrNi2Sn, and so forth). The vacancy-site occupation in ZrNiSn with Co and Ir results in the drastic conversion of thermoelectric properties from n type to p type, and the effective reduction of the lattice thermal conductivity.

  18. Physical Mechanism of Threshold Voltage Modulation by Ge Channel Ion Implantation in the TiN/HfO2 Gate Stack Systems

    NASA Astrophysics Data System (ADS)

    Tsuchiya, Yoshinori; Berliner, Nathaniel; Iijima, Ryosuke; Tai, Leo; Takayanagi, Mariko; Paruchuri, Vamsi

    2011-06-01

    We extensively investigated the physical origin of the threshold voltage VTH modulation by the Ge channel ion implantation (I/I) in HfO2/TiN/polycrystalline Si gate stack systems. The possible VTH modulation factors were carefully distinguished from each other by changing the channel dopant concentration and the thickness of the gate dielectric films. It was found that the changes in energy-band offset and dopant concentration in the channel region are minor factors of the VTH modulation. However, it was also found that ΔVTH is sensitive to the oxidation condition of the interfacial oxide layer; a longer oxidation induces a larger ΔVTH. From the X-ray spectroscopy, we found that a Ge pile-up at the interfacial layer/channel interface occurs, and that the VTH modulation range correlates well with the amount of piled-up Ge.

  19. Effect of the Sn dopant on the crystallization of amorphous Ge2Sb2Te5 films induced by an excimer laser

    NASA Astrophysics Data System (ADS)

    Bai, N.; Liu, F. R.; Han, X. X.; Zhu, Z.; Liu, F.; Lin, X.; Sun, N. X.

    2015-11-01

    In this paper, the influence of Sn doping (0%, 8%, and 14%) on the crystallization of Ge2Sb2Te5 (GST) was studied with the aid of an ultraviolet laser. It was found that the addition of Sn element not only expanded the lattice parameter but also decreased the crystallization temperature and activation energy as compared to the GST. As compared to the Ge2Sb2Te5, a more complete crystallization of the Sn doping Ge2Sb2Te5 is mainly due to the lower binding energy of Sn-Te (359.8 kJ/mol), which could be more easily taken part in the bond breakage and formation than Ge-Te (456 kJ/mol) in such a short time as 30 ns. The equiaxial grains were obtained for the Sn8Ge15Sb23Te54 films when crystallization was induced by the laser fluence of 20 mJ/cm2 but the grains elongated when the laser fluence was increased to 60 mJ/cm2. The reason may be the incorporation of Sn elements changed the crystal nucleation mode.

  20. Improved thermoelectric properties of TiNiSn through enhancing strain field fluctuation

    NASA Astrophysics Data System (ADS)

    Lkhagvasuren, Enkhtaivan; Fu, Chenguang; Fecher, Gerhard H.; Auffermann, Gudrun; Kreiner, Guido; Schnelle, Walter; Felser, Claudia

    2017-10-01

    MNiSn (M  =  Hf, Zr, Ti) -based half Heusler compounds have attracted extensive attention as promising materials in thermoelectric power generation. In this work, the thermoelectric properties of the cheapest composition TiNiSn from this system are investigated. Isoelectronic substitutions of Si and Ge on Sn site are employed to reduce the lattice thermal conductivity. It is found that Si substitution leads to simultaneously enhanced mass and strain field fluctuations in TiNiSn, while the strain field fluctuation dominates the decrease of thermal conductivity in Ge substituted TiNiSn. A maximum ZT of 0.48 at 740 K is obtained in TiNiSn0.975 Ge0.025 , which is a 23% increase compared to TiNiSn. This result highlights the role of strain field fluctuation in suppressing lattice thermal conductivity and improving the thermoelectric performance of half-Heusler compounds.

  1. 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.

  2. Compositional dependence of the band-gap of Ge{sub 1−x−y}Si{sub x}Sn{sub y} alloys

    SciTech Connect

    Wendav, Torsten; Fischer, Inga A.; Oehme, Michael; Schulze, Jörg; Montanari, Michele; Zoellner, Marvin Hartwig; Klesse, Wolfgang; Capellini, Giovanni; Driesch, Nils von den; Buca, Dan; Busch, Kurt

    2016-06-13

    The group-IV semiconductor alloy Ge{sub 1−x−y}Si{sub x}Sn{sub y} has recently attracted great interest due to its prospective potential for use in optoelectronics, electronics, and photovoltaics. Here, we investigate molecular beam epitaxy grown Ge{sub 1−x−y}Si{sub x}Sn{sub y} 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.

  3. 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).

  4. Hydrogen-surfactant-mediated epitaxy of Ge1- x Sn x layer and its effects on crystalline quality and photoluminescence property

    NASA Astrophysics Data System (ADS)

    Nakatsuka, Osamu; Fujinami, Shunsuke; Asano, Takanori; Koyama, Takeshi; Kurosawa, Masashi; Sakashita, Mitsuo; Kishida, Hideo; Zaima, Shigeaki

    2017-01-01

    The effect of hydrogen-surfactant-mediated molecular beam epitaxy (MBE) growth of Ge1- x Sn x layer on Ge(001) substrate on crystalline quality and photoluminescence (PL) property has been investigated. The effect of irradiation of atomic hydrogen (H) generated by dissociating molecular hydrogen (H2) were examined during the MBE growth. H irradiation significantly improves the surface morphology with the enhancement of the two-dimensional growth of the Ge1- x Sn x epitaxial layer. Enhanced diffuse scattering is observed in the X-ray diffraction profile, indicating a high density of point defects. In the PL spectrum of the H2-irradiated Ge1- x Sn x layer, two components are observed, suggesting the radiative recombination with both indirect and direct transitions, while one component related to the direct transition is observable in the H-irradiated sample. The postdeposition annealing in nitrogen ambient at as low as 220 °C decreases the PL intensity of the H-irradiated Ge1- x Sn x layer, although the intensity is recovered after annealing at 300 °C, suggesting the annihilation of point defects in the Ge1- x Sn x layer.

  5. Sr{sub 7}Ge{sub 6}, Ba{sub 7}Ge{sub 6} and Ba{sub 3}Sn{sub 2} -Three new binary compounds containing dumbbells and four-membered chains of tetrel atoms with considerable Ge-Ge {pi}-bonding character

    SciTech Connect

    Siggelkow, Lisa; Hlukhyy, Viktor; Faessler, Thomas F.

    2012-07-15

    The germanides Sr{sub 7}Ge{sub 6} and Ba{sub 7}Ge{sub 6} as well as the stannide Ba{sub 3}Sn{sub 2} were prepared by arc melting and annealing in welded tantalum ampoules using induction as well as resistance furnaces. The compounds were investigated by powder and single crystal X-ray diffraction. Sr{sub 7}Ge{sub 6} and Ba{sub 7}Ge{sub 6} crystallize in the Ca{sub 7}Sn{sub 6} structure type (space group Pmna, Z=4: a=7.777(2) A, b=23.595(4) A, c=8.563(2) A, wR{sub 2}=0.081 (all data), 2175 independent reflections, 64 variable parameters for Sr{sub 7}Ge{sub 6} and a=8.0853(6) A, b=24.545(2) A, c=8.9782(8) A, wR{sub 2}=0.085 (all data), 2307 independent reflections, 64 variable parameters for Ba{sub 7}Ge{sub 6}). Ba{sub 3}Sn{sub 2} crystallizes in an own structure type with the space group P4{sub 3}2{sub 1}2, Z=4, a=6.6854(2) A, c=17.842(2) A, wR{sub 2}=0.037 (all data), 1163 independent reflections, 25 variable parameters. In Sr{sub 7}Ge{sub 6} and Ba{sub 7}Ge{sub 6} the Ge atoms are arranged as Ge{sub 2} dumbbells and Ge{sub 4} four-membered atom chains. Their crystal structures cannot be rationalized according to the (8-N) rule. In contrast, Ba{sub 3}Sn{sub 2} presents Sn{sub 2} dumbbells as a main structural motif and thereby can be described as an electron precise Zintl phase. The chemical bonding situation in these structures is discussed on the basis of partial and total Density Of States (DOS) curves, band structures including fatbands, topological analysis of the Electron Localization Function (ELF) as well as Bader analysis of the bond critical points using the programs TB-LMTO-ASA and WIEN2K. While Ba{sub 3}Sn{sub 2} reveals semiconducting behaviour, all germanides Ae{sub 7}Ge{sub 6} (Ae=Ca, Sr, and Ba) show metallic properties and a considerable {pi}-bonding character between the Ge atoms of the four-membered chains and the dumbbells. The {pi}-bonding character of the germanides is best reflected by the resonance hybrid structures {l_brace}[Ge-Ge]{sup 6

  6. Electronic structure and optical properties of Cs 2 AX2 ' X 4 (A=Ge,Sn,Pb; X',X=Cl,Br,I)

    NASA Astrophysics Data System (ADS)

    Wang, Guangtao; Wang, Dongyang; Shi, Xianbiao

    2015-12-01

    We studied the crystal structures, electronic structures and optical properties of Cs 2 AX2 ' X 4 (A=Ge,Sn,Pb; X', X=Cl, Br, I) compounds using the first-principles calculation. Our optimized structures agree well with experimental and theoretical results. Band structure calculations, using the modified Becke-Johnson (mBJ) potential method, indicate that these compounds (with the exception of Cs 2 PbX2 ' I 4 ) are semiconductors with the direct band gap ranging from 0.36 to 4.09 eV. We found the compounds Cs2GeBr2I4, Cs2GeCl2I4, Cs2GeI2Br4, Cs2SnI6, and Cs2SnBr2I4 may be good candidates for lead-free solar energy absorber materials.

  7. 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

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

    PubMed

    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

    2015-03-17

    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.

  9. High carrier mobility of Sn-doped polycrystalline-Ge films on insulators by thickness-dependent low-temperature solid-phase crystallization

    NASA Astrophysics Data System (ADS)

    Sadoh, Taizoh; Kai, Yuki; Matsumura, Ryo; Moto, Kenta; Miyao, Masanobu

    2016-12-01

    To realize the advanced thin-film transistors (TFTs), high-carrier-mobility semiconductor films on insulator structures should be fabricated with low-temperature processing conditions (≤500 °C). To achieve this, we investigated the solid-phase crystallization of amorphous-GeSn films on insulating substrates under a wide range of Sn concentrations (0%-20%), film thicknesses (30-500 nm), and annealing temperatures (380-500 °C). Our results reveal that a Sn concentration close to the solid solubility of Sn in Ge (˜2%) is effective in increasing the grain-size of poly-GeSn. In addition, we discovered that the carrier mobility depends on the film thickness, where the mobilities are determined by the counterbalance between two different carrier scattering mechanisms. Here, vacancy-related defects dominate the carrier scattering near the insulating substrates (≤˜120 nm), and grain-size determined by bulk nucleation dominates the grain-boundary scattering of thick films (≥˜200 nm). Consequently, we obtained the maximum mobilities in samples with a Sn concentration of 2% and a film thickness of 200 nm. The effect of increasing the grain-size of poly-GeSn by lowering the annealing temperature was also clarified. By combining these results, a very high carrier mobility of 320 cm2/Vs was obtained at a low temperature of 380 °C. This mobility is about 2.5 times as high as previously reported data for Ge and GeSn films grown at low temperatures (≤500 °C). Our technique therefore opens up the possibility of high-speed TFTs for use in the next generation of electronics.

  10. 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.

  11. First-principles study of structural, electronic and magnetic properties of AeX (Ae=Be, Mg, Sr, Ba; X=Si, Ge and Sn) compounds

    NASA Astrophysics Data System (ADS)

    Jaiganesh, G.; Kalpana, G.

    2013-01-01

    The first-principles study of the electronic structure and ferromagnetism of AeX (Ae=Be, Mg, Sr and Ba; X=Si, Ge and Sn) compounds have been performed in the ground-state CrB-type and hypothetical NaCl- and zinc blende-type structures by spin-polarization and non-spin-polarization calculations. The TBLMTO-ASA program was used for the purpose. In the CrB-type structure, all these compounds exhibit non-magnetic and metallic behavior. The calculations show that in the NaCl- and ZB-type structures BeSi, BeGe, BeSn, MgSi, MgGe and MgSn compounds are non-magnets whereas SrSi, SrGe, SrSn, BaSi, BaGe and BaSn compounds are ferromagnetic and metallic. Apart from this the ZB-type SrSi, SrGe, BaSi and BaGe compounds exhibit half-metallicity at their equilibrium volume with a magnetic moment of 2.0 μB per formula unit. However, ZB-type SrSn and BaSn compounds are found to exhibit half-metallic property under expansion of volume. The magnetism arises mainly from the anion p-like states and partial involvement of cation d-like states. The ground state properties like equilibrium lattice parameters, bulk modulus, cohesive energy, magnetic moment, spin-flip-gap and majority spin band gap are calculated and compared with available results. The band structure and density of states are also presented. These materials will be useful for the study of p-electron magnetism and in spintronic devices.

  12. 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.

  13. 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.

  14. New members of the A2 M ‧ M2″ structure family (A=Ca, Sr, Yb, La; M ‧ = In , Sn , Pb; M ″ = Si , Ge)

    NASA Astrophysics Data System (ADS)

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

    2015-01-01

    The new mixed tetrelides Sr2PbGe2 and Yb2SnGe2, several mixed Ca/Sr (AII) germanides A2II (Sn , Pb)Ge2 and two polymorphs of La2 InSi2 represent new members of the general structure family of ternary alkaline-earth/lanthanoid main group silicides/germanides A2 M ‧ M2″ (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. Sr2PbGe2 (Cmmm, a=402.36(11), b=1542.3(4), c=463.27(10) pm) crystallizes with the Mn2AlB2 -type structure. In exhibiting infinite planar Ge zig-zag chains, it represents one border of the compound series. The other borderline case, where only [Ge2 ] dumbbells are left as Ge building units, is represented by the Ca/Yb tin germanides Ca2SnGe2 and Yb2SnGe2 (Mo2FeB2 -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 AII cations: Ca0.45Sr1.55PbGe2 (new structure type; Pbam, a=791.64(5), b=2311.2(2), c=458.53(3) pm) contains planar six-membered chain segments [Ge6 ]. Tetrameric pieces [Ge4 ] are the conspicuous structure elements in Ca1.16Sr0.84SnGe2 and La2 InSi2 (La2 InNi2 -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 'La2 In Si2‧ (exact composition: La2In1.07Si1.93, P4/mbm, a=1309.11(12), c=443.32(4) pm) also crystallizes in a new structure type, containing only [Si3 ] 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 structure calculations within the FP-LAPW DFT approach together with the Zintl formalism, extended by the presence of hypervalent bonding of the heavier M ‧ elements, give insight into the chemical bonding of this series of p

  15. In situ synchrotron based x-ray fluorescence and scattering measurements during atomic layer deposition: Initial growth of HfO2 on Si and Ge substrates

    NASA Astrophysics Data System (ADS)

    Devloo-Casier, K.; Dendooven, J.; Ludwig, K. F.; Lekens, G.; D'Haen, J.; Detavernier, C.

    2011-06-01

    The initial growth of HfO2 was studied by means of synchrotron based in situ x-ray fluorescence (XRF) and grazing incidence small angle x-ray scattering (GISAXS). HfO2 was deposited by atomic layer deposition (ALD) using tetrakis(ethylmethylamino)hafnium and H2O 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.

  16. 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.

  17. 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

  18. Improved electrical properties of Ge metal-oxide-semiconductor capacitors with high-k HfO2 gate dielectric by using La2O3 interlayer sputtered with/without N2 ambient

    NASA Astrophysics Data System (ADS)

    Xu, H. X.; Xu, J. P.; Li, C. X.; Lai, P. T.

    2010-07-01

    The electrical properties of n-Ge metal-oxide-semiconductor (MOS) capacitors with HfO2/LaON or HfO2/La2O3 stacked gate dielectric (LaON or La2O3 as interlayer) are investigated. It is found that better electrical performances, including lower interface-state density, smaller gate leakage current, smaller capacitance equivalent thickness, larger k value, and negligible C-V frequency dispersion, can be achieved for the MOS device with LaON interlayer. The involved mechanism lies in that the LaON interlayer can effectively block the interdiffusions of Ge, O, and Hf, thus suppressing the growth of unstable GeOx interlayer and improving the dielectric/Ge interface quality.

  19. Mn2CoZ (Z=Al,Ga,In,Si,Ge,Sn,Sb) compounds: Structural, electronic, and magnetic properties

    NASA Astrophysics Data System (ADS)

    Liu, G. D.; Dai, X. F.; Liu, H. Y.; Chen, J. L.; Li, Y. X.; Xiao, Gang; Wu, G. H.

    2008-01-01

    We study the electronic structures and magnetic properties of Mn2CoZ (Z=Al,Ga,In,Si,Ge,Sn,Sb) compounds with Hg2CuTi -type structure using first-principles full-potential linearized-augmented plane-wave calculations. It is found that the compounds with Z=Al , Si, Ge, Sn, and Sb are half-metallic ferrimagnet. Experimentally, we successfully synthesized the Mn2CoZ (Z=Al,Ga,In,Ge,Sn,Sb) compounds. Using the x-ray diffraction method and Rietveld refinement, we confirm that these compounds form Hg2CuTi -type structure instead of the conventional L21 structure. Based on the analysis on the electronic structures, we find that there are two mechanisms to induce the minority-spin band gap near the Fermi level, but only the d-d band gap determines the final width of the band gap. The magnetic interaction is quite complex in these alloys. It is the hybridization between the Mn(C) and Co atom that dominates the magnitude of magnetic moment of the Co atom and the sign of the Mn(B)-Co exchange interaction. The Mn2CoZ alloys follow the Slater-Pauling rule MH=NV-24 with varying Z atom. It was further elucidated that the molecular magnetic moment MH increases with increasing valence concentration only by decreasing the antiparallel magnetic moment of Mn(C) , while the magnetic moments of Mn(B) and Co are unaffected.

  20. Growth and applications of GeSn-related group-IV semiconductor materials

    PubMed Central

    Zaima, Shigeaki; Nakatsuka, Osamu; Taoka, Noriyuki; Kurosawa, Masashi; Takeuchi, Wakana; Sakashita, Mitsuo

    2015-01-01

    We review the technology of Ge1−xSnx-related group-IV semiconductor materials for developing Si-based nanoelectronics. Ge1−xSnx-related materials provide novel engineering of the crystal growth, strain structure, and energy band alignment for realising various applications not only in electronics, but also in optoelectronics. We introduce our recent achievements in the crystal growth of Ge1−xSnx-related material thin films and the studies of the electronic properties of thin films, metals/Ge1−xSnx, and insulators/Ge1−xSnx interfaces. We also review recent studies related to the crystal growth, energy band engineering, and device applications of Ge1−xSnx-related materials, as well as the reported performances of electronic devices using Ge1−xSnx related materials. PMID:27877818

  1. Synthesis of mixed tin-ruthenium and tin-germanium-ruthenium carbonyl clusters from [Ru3(CO)12] and diaminometalenes (M = Sn, Ge).

    PubMed

    Cabeza, Javier A; García-Álvarez, Pablo; Polo, Diego

    2012-02-20

    Diaminostannylenes react with [Ru(3)(CO)(12)] without cluster fragmentation to give carbonyl substitution products regardless of the steric demand of the diaminostannylene reagent. Thus, the Sn(3)Ru(3) clusters [Ru(3){μ-Sn(NCH(2)(t)Bu)(2)C(6)H(4)}(3)(CO)(9)] (4) and [Ru(3){μ-Sn(HMDS)(2)}(3)(CO)(9)] (6) [HMDS = N(SiMe(3))(2)] have been prepared in good yields by treating [Ru(3)(CO)(12)] with an excess of the cyclic 1,3-bis(neo-pentyl)-2-stannabenzimidazol-2-ylidene and the acyclic and bulkier Sn(HMDS)(2), respectively, in toluene at 110 °C. The use of smaller amounts of Sn(HMDS)(2) (Sn/Ru(3) ratio = 2.5) in toluene at 80 °C afforded the Sn(2)Ru(3) derivative [Ru(3){μ-Sn(HMDS)(2)}(2)(μ-CO)(CO)(9)] (5). Compounds 5 and 6 represent the first structurally characterized diaminostannylene-ruthenium complexes. While a further treatment of 5 with Ge(HMDS)(2) led to a mixture of uncharacterized compounds, a similar treatment with the sterically alleviated diaminogermylene Ge(NCH(2)(t)Bu)(2)C(6)H(4) provided [Ru(3){μ-Sn(HMDS)(2)}(2){μ-Ge(NCH(2)(t)Bu)(2)C(6)H(4)}(CO)(9)] (7), which is a unique example of Sn(2)GeRu(3) cluster. All these reactions, coupled to a previous observation that [Ru(3)(CO)(12)] reacts with excess of Ge(HMDS)(2) to give the mononuclear complex [Ru{Ge(HMDS)(2)}(2)(CO)(3)] but triruthenium products with less bulky diaminogermylenes, indicate that, for reactions of [Ru(3)(CO)(12)] with diaminometalenes, both the volume of the diaminometalene and the size of its donor atom (Ge or Sn) are of key importance in determining the nuclearity of the final products.

  2. Effects of Ge and Sn substitution on the metal-semiconductor transition and thermoelectric properties of Cu12Sb4S13 tetrahedrite.

    PubMed

    Kosaka, Yasufumi; Suekuni, Koichiro; Hashikuni, Katsuaki; Bouyrie, Yohan; Ohta, Michihiro; Takabatake, Toshiro

    2017-03-15

    The synthetic tetrahedrites Cu12-yTrySb4S13 (Tr: Mn, Fe, Co, Ni, Zn) have been extensively studied due to interest in metal-semiconductor transition as well as in superior thermoelectric performance. We have prepared Ge- and Sn-bearing tetrahedrites, Cu12-xMxSb4S13 (M = Ge, Sn; x ≤ 0.6), and investigated the effects of the substitutions on the phase transition and the thermoelectric properties. The substitutions of Ge and Sn for Cu suppress the metal-semiconductor transition and increase the electrical resistivity ρ and the positive thermopower S. This finding suggests that the phase transition is prevented by electron doping into the unoccupied states of the valence band. The variations of ρ, S, and magnetic susceptibility for the present systems correspond well with those for the system with Tr = Zn(2+), confirming the tetravalent states for Ge and Sn. The substitution of M(4+) for Cu(1+) decreases the power factor S(2)/ρ but enhances the dimensionless thermoelectric figure of merit ZT, due to reductions in both the charge carrier contribution and lattice contribution to the thermal conductivity. As a result, ZT has a maximum value of ∼0.65 at 665 K for x = 0.3-0.5 in Cu12-xMxSb4S13 with M = Ge and Sn.

  3. Orientation epitaxy of Ge1–xSnx films grown on single crystal CaF2 substrates

    SciTech Connect

    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 first 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.

  4. 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.

  5. Interfacial, Electrical, and Band Alignment Characteristics of HfO2/Ge Stacks with In Situ-Formed SiO2 Interlayer by Plasma-Enhanced Atomic Layer Deposition

    NASA Astrophysics Data System (ADS)

    Cao, Yan-Qiang; Wu, Bing; Wu, Di; Li, Ai-Dong

    2017-05-01

    In situ-formed SiO2 was introduced into HfO2 gate dielectrics on Ge substrate as interlayer by plasma-enhanced atomic layer deposition (PEALD). The interfacial, electrical, and band alignment characteristics of the HfO2/SiO2 high-k gate dielectric stacks on Ge have been well investigated. It has been demonstrated that Si-O-Ge interlayer is formed on Ge surface during the in situ PEALD SiO2 deposition process. This interlayer shows fantastic thermal stability during annealing without obvious Hf-silicates formation. In addition, it can also suppress the GeO2 degradation. The electrical measurements show that capacitance equivalent thickness of 1.53 nm and a leakage current density of 2.1 × 10-3 A/cm2 at gate bias of Vfb + 1 V was obtained for the annealed sample. The conduction (valence) band offsets at the HfO2/SiO2/Ge interface with and without PDA are found to be 2.24 (2.69) and 2.48 (2.45) eV, respectively. These results indicate that in situ PEALD SiO2 may be a promising interfacial control layer for the realization of high-quality Ge-based transistor devices. Moreover, it can be demonstrated that PEALD is a much more powerful technology for ultrathin interfacial control layer deposition than MOCVD.

  6. Thermoelectric properties and electronic structure of substituted Heusler compounds: NiTi0.3-xScxZr0.35Hf0.35Sn

    NASA Astrophysics Data System (ADS)

    Ouardi, Siham; Fecher, Gerhard H.; Balke, Benjamin; Schwall, Michael; Kozina, Xeniya; Stryganyuk, Gregory; Felser, Claudia; Ikenaga, Eiji; Yamashita, Yoshiyuki; Ueda, Shigenori; Kobayashi, Keisuke

    2010-12-01

    The effect of Ti substitution by Sc on the thermoelectric properties of the Heusler compounds NiTi0.3-xScxZr0.35Hf0.35Sn (where 0Hf0.35Sn showed n-type conductivity with a Seebeck coefficient of -288 μV/K at 350 K, while under Sc substitution the system switched to p-type behavior. A maximum Seebeck coefficient of +230 μV/K (350 K) was obtained by 4% Sc substitution, which is the highest value for p-type thermoelectric compounds based on Heusler alloys. The electronic structure was studied by photoelectron spectroscopy excited by hard x-ray synchrotron radiation. Massive in gap states are observed for the parent compound. This proves that the electronic states close to the Fermi energy play a key role on the behavior of the transport properties. Especially, they are responsible for the high, negative Seebeck coefficient of the parent compound.

  7. Characteristics of SnO2-based 68Ge/68Ga generator and aspects of radiolabelling DOTA-peptides.

    PubMed

    de Blois, Erik; Sze Chan, Ho; Naidoo, Clive; Prince, Deidre; Krenning, Eric P; Breeman, Wouter A P

    2011-02-01

    PET scintigraphy with (68)Ga-labelled analogs is of increasing interest in Nuclear Medicine and performed all over the world. Here we report the characteristics of the eluate of SnO(2)-based (68)Ge/(68)Ga generators prepared by iThemba LABS (Somerset West, South Africa). Three purification and concentration techniques of the eluate for labelling DOTA-TATE and concordant SPE purifications were investigated. Characteristics of 4 SnO(2)-based generators (range 0.4-1 GBq (68)Ga in the eluate) and several concentration techniques of the eluate (HCl) were evaluated. The elution profiles of SnO(2)-based (68)Ge/(68)Ga generators were monitored, while [HCl] of the eluens was varied from 0.3-1.0 M. Metal ions and sterility of the eluate were determined by ICP. Fractionated elution and concentration of the (68)Ga eluate were performed using anion and cation exchange. Concentrated (68)Ga eluate, using all three concentration techniques, was used for labelling of DOTA-TATE. (68)Ga-DOTA-TATE-containing solution was purified and RNP increased by SPE, therefore also 11 commercially available SPE columns were investigated. The amount of elutable (68)Ga activity varies when the concentration of the eluens, HCl, was varied, while (68)Ge activity remains virtually constant. SnO(2)-based (68)Ge/(68)Ga generator elutes at 0.6 M HCl >100% of the (68)Ga activity at calibration time and ±75% after 300 days. Eluate at discharge was sterile and Endotoxins were <0.5 EU/mL, RNP was always <0.01%. Metal ions in the eluate were <10 ppm (in total). Highest desorption for anion purification was obtained with the 30 mg Oasis WAX column (>80%). Highest desorption for cation purification was obtained using a solution containing 90% acetone at increasing molarity of HCl, resulted in a (68)Ga desorption of 68±8%. With all (68)Ge/(68)Ga generators and for all 3 purification methods a SA up to 50 MBq/nmol with >95% incorporation (ITLC) and RCP (radiochemical purity) by HPLC ±90% could be achieved

  8. Effects of uniaxial strain on electron effective mass and tunneling capability of direct gap Ge{sub 1−x}Sn{sub x} alloys

    SciTech Connect

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

    2016-01-15

    Direct gap Ge{sub 1−x}Sn{sub x} alloys under [100] and [110] uniaxial strain are comprehensively investigated by theoretical calculations using the nonlocal empirical pseudopotential method (EPM). It is shown that [100] uniaxial tensile strain aids indirect-to-direct gap transition in Ge{sub 1−x}Sn{sub x} alloys. The Γ electron effective mass along the optimal direction under [110] uniaxial strain is smaller than those under [100] uniaxial strain and (001) biaxial strain. Additionally, the direct tunneling gap is smallest along the strain-perpendicular direction under [110] uniaxial tensile strain, resulting in a maximum direct band-to-band tunneling generation rate. An optimal [110] uniaxial tensile strain is favorable for high-performance direct gap Ge{sub 1−x}Sn{sub x} electronic devices.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. Preparation and characterizations of SnO2 nanopowder and spectroscopic (FT-IR, FT-Raman, UV-Visible and NMR) analysis using HF and DFT calculations.

    PubMed

    Ayeshamariam, A; Ramalingam, S; Bououdina, M; Jayachandran, M

    2014-01-24

    In this work, pure and singe phase SnO2 Nano powder is successfully prepared by simple sol-gel combustion route. The photo luminescence and XRD measurements are made and compared the geometrical parameters with calculated values. The FT-IR and FT-Raman spectra are recorded and the fundamental frequencies are assigned. The optimized parameters and the frequencies are calculated using HF and DFT (LSDA, B3LYP and B3PW91) theory in bulk phase of SnO2 and are compared with its Nano phase. The vibrational frequency pattern in nano phase gets realigned and the frequencies are shifted up to higher region of spectra when compared with bulk phase. The NMR and UV-Visible spectra are simulated and analyzed. Transmittance studies showed that the HOMO-LUMO band gap (Kubo gap) is reduced from 3.47 eV to 3.04 eV while it is heated up to 800°C. The Photoluminescence spectra of SnO2 powder showed a peak shift towards lower energy side with the change of Kubo gap from 3.73 eV to 3.229 eV for as-prepared and heated up to 800°C.

  14. Electronic structure of transition metal-doped XNiSn and XCoSb (X = Hf,Zr) phases in the vicinity of the band gap

    NASA Astrophysics Data System (ADS)

    Simonson, J. W.; Poon, S. J.

    2008-06-01

    Half-Heusler alloys of the compositions X1-aAaNi1-bBbSn and X1-aAaCo1-bBbSb (X = Hf,Zr) were synthesized with transition metals (A, B) substituted at the X and Ni/Co sites with the values of a and b between 0 and 0.15. Thermopower and electrical resistivity measurements from room temperature to 1100 K were performed to investigate resultant modifications to the electronic band structure in the vicinity of the band gap. As a result of these substitutions, thermopower was typically reduced across the entire temperature spectrum, in some cases changing sign. In the case of XNiSn-type alloys, electrical resistivity curves were indicative of semiconducting behavior, except in the case of samples in which Sb was introduced to the Sn site as a dopant. XCoSb-type alloys, however, were found to exhibit metallic resistivity behavior for all substitutions investigated. Hall effect measurements were performed to confirm the dominant carrier type and carrier concentration. The effects of transition metal substitution on the locations of a dopant band and the pinned Fermi level were discussed in the light of recent first-principles electronic structure calculations for half-Heusler alloys. For some of the semiconducting alloys, the band gaps that were determined from the high temperature region of the resistivity curves were found to be in closer agreement with those obtained from calculations than previously reported.

  15. Tuning Bandgap of p-Type Cu2Zn(Sn, Ge)(S, Se)4 Semiconductor Thin Films via Aqueous Polymer-Assisted Deposition.

    PubMed

    Yi, Qinghua; Wu, Jiang; Zhao, Jie; Wang, Hao; Hu, Jiapeng; Dai, Xiao; Zou, Guifu

    2017-01-18

    Bandgap engineering of kesterite Cu2Zn(Sn, Ge)(S, Se)4 with well-controlled stoichiometric composition plays a critical role in sustainable inorganic photovoltaics. Herein, a cost-effective and reproducible aqueous solution-based polymer-assisted deposition approach is developed to grow p-type Cu2Zn(Sn, Ge)(S, Se)4 thin films with tunable bandgap. The bandgap of Cu2Zn(Sn, Ge)(S, Se)4 thin films can be tuned within the range 1.05-1.95 eV using the aqueous polymer-assisted deposition by accurately controlling the elemental compositions. One of the as-grown Cu2Zn(Sn, Ge)(S, Se)4 thin films exhibits a hall coefficient of +137 cm(3)/C. The resistivity, concentration and carrier mobility of the Cu2ZnSn(S, Se)4 thin film are 3.17 ohm·cm, 4.5 × 10(16) cm(-3), and 43 cm(2)/(V·S) at room temperature, respectively. Moreover, the Cu2ZnSn(S, Se)4 thin film when used as an active layer in a solar cell leads to a power conversion efficiency of 3.55%. The facile growth of Cu2Zn(Sn, Ge)(S, Se)4 thin films in an aqueous system, instead of organic solvents, provides great promise as an environmental-friendly platform to fabricate a variety of single/multi metal chalcogenides for the thin film industry and solution-processed photovoltaic devices.

  16. 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.

  17. Electronic and optical properties of the monolayer group-IV monochalcogenides M X (M =Ge ,Sn ; X =S ,Se ,Te )

    NASA Astrophysics Data System (ADS)

    Xu, Lei; Yang, Ming; Wang, Shi Jie; Feng, Yuan Ping

    2017-06-01

    By using density-functional theory and many-body perturbation theory based first-principles calculations, we have systematically investigated the electronic and optical properties of monolayer group-IV monochalcogenides M X (M =Ge ,Sn ; X =S ,Se ,Te ). All M X monolayers are predicted to be indirect gap semiconductors, except the GeSe monolayer, which has a direct gap of 1.66 eV. The carrier mobilities of M X monolayers are estimated to be on the order of 103 to 105c m2V-1s-1 , which is comparable to, and in some cases higher than, that of phosphorene using a phonon-limited scattering model. Moreover, the optical spectra of M X monolayers obtained from GW-Bethe-Salpeter equation calculations are highly orientation dependent, especially for the GeS monolayer, suggesting their potential application as a linear polarizing filter. Our results reveal that the GeSe monolayer is an attractive candidate for optoelectronic applications as it is a semiconductor with a direct band gap, a relatively high carrier mobility, and an onset optical absorption energy in the visible light range. Finally, based on an effective-mass model with nonlocal Coulomb interaction included, we find that the excitonic effects of the GeSe monolayer can be effectively tuned by the presence of dielectric substrates. Our studies provide an improved understanding of electronic, optical, and excitonic properties of group-IV monochalcogenides monolayers and might shed light on their potential electronic and optoelectronic applications.

  18. 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.

  19. Syntheses and structures of Sc2Nb(4–x)Sn5, YNb6Sn6, and ErNb6Sn5: exploratory studies in ternary rare-earth niobium stannides.

    PubMed

    Yue, Cheng-Yang; Lei, Xiao-Wu

    2012-02-20

    Three new rare-earth (RE) niobium stannides, namely, Sc(2)Nb(4-x)Sn(5) (x = 0.37, 0.52), YNb(6)Sn(6), and ErNb(6)Sn(5), have been obtained by reacting the mixture of corresponding pure elements at high temperature and structurally characterized by single-crystal X-ray diffraction studies. Sc(2)Nb(4-x)Sn(5) crystallizes in the orthorhombic space group Ibam (No. 72) and belongs to the V(6)Si(5) type. Its structure features a three-dimensional (3D) network composed of two-dimensionally (2D) corrugated [Nb(2)Sn(2)] and [Nb(2)Sn(3)] layers interconnected via Nb-Sn bonds, forming one type of one-dimensional (1D) narrow tunnels along the c axis occupied by Sc atoms. YNb(6)Sn(6) crystallizes in the hexagonal space group P6/mmm (No. 191) and adopts the HfFe(6)Ge(6) type, and ErNb(6)Sn(5) crystallizes in the trigonal space group R3m (No. 166) and belongs to the LiFe(6)Ge(5) type. Their structures both feature 3D networks based on 2D [Nb(3)Sn], [Sn(2)], and [RESn(2)] layers (RE = Y, Er). In YNb(6)Sn(6), one type of [Nb(3)Sn] layer is interconnected by [Sn(2)] and [YSn(2)] layers via Nb-Sn bonds to form a 3D network. However, in ErNb(6)Sn(5), two types of [Nb(3)Sn] layers are interlinked by [Sn(2)] and [ErSn(2)] layers via Nb-Sn bonds into a 3D framework. Electronic structure calculations and magnetic property measurements for "Sc(2)Nb(4)Sn(5)" and YNb(6)Sn(6) indicate that both compounds show semimetallic and temperature-independent diamagnetic behavior.

  20. First-principles study of defect formation in the photovoltaic semiconductors Cu2GeS3 and Cu2ZnGeS4 for comparison with Cu2SnS3, Cu2ZnSnS4, and CuInSe2

    NASA Astrophysics Data System (ADS)

    Nishihara, Hironori; Maeda, Tsuyoshi; Shigemi, Akio; Wada, Takahiro

    2017-04-01

    The formation energies of neutral Cu, Ge, and S vacancies in monoclinic Cu2GeS3 and those of neutral Cu, Zn, Ge, and S vacancies in kesterite-type Cu2ZnGeS4 were evaluated by first-principles pseudopotential calculations using plane-wave basis functions. The calculations were performed at typical points in a schematic ternary phase diagram of a Cu–Ge–S system for Cu2GeS3 and in Cu–(Zn1/2Ge1/2)–S and Cu29S16–ZnS–GeS2 pseudoternary phase diagrams for Cu2ZnGeS4. The results have been compared with those for Cu2SnS3, Cu2ZnSnS4, and CuInSe2 calculated with the same version of the CASTEP program code. The results indicate that Cu vacancies are easily formed in Cu2GeS3 and Cu2ZnGeS4 under the Cu-poor condition as in the cases of Cu2SnS3, Cu2ZnSnS4, and CuInSe2, suggesting that Cu2GeS3 and Cu2ZnGeS4 are also preferable p-type absorber materials for thin-film solar cells. Desirable preparation conditions of these thin films for photovoltaic application are discussed using the calculated formation energies of antisite defects.

  1. 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.

  2. Wave-function engineering and absorption spectra in Si{sub 0.16}Ge{sub 0.84}/Ge{sub 0.94}Sn{sub 0.06}/Si{sub 0.16}Ge{sub 0.84} strained on relaxed Si{sub 0.10}Ge{sub 0.90} type I quantum well

    SciTech Connect

    Yahyaoui, N. E-mail: moncef-said@yahoo.fr; Sfina, N.; Said, M. E-mail: moncef-said@yahoo.fr; Lazzari, J.-L.; Bournel, A.

    2014-01-21

    We theoretically investigate germanium-tin alloy as a semiconductor for the design of near infrared optical modulators in which the Ge{sub 1−x}Sn{sub x} alloy is the active region. We have calculated the electronic band parameters for heterointerfaces between strained Ge{sub 1−x}Sn{sub x} and relaxed Si{sub 1−y}Ge{sub y}. Then, a type-I strain-compensated Si{sub 0.10}Ge{sub 0.90}/Si{sub 0.16}Ge{sub 0.84}/Ge{sub 0.94}Sn{sub 0.06} quantum well heterostructure optimized in terms of compositions and thicknesses is studied by solving Schrödinger equation without and under applied bias voltage. The strong absorption coefficient (>1.5 × 10{sup 4} cm{sup −1}) and the shift of the direct transition under large Stark effect at 3 V are useful characteristics for the design of optoelectronic devices based on compressively strained IV-IV heterostructures at near infrared wavelengths.

  3. 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.

  4. Molecular approaches to p- and n-nanoscale doping of Ge 1-ySn y semiconductors: Structural, electrical and transport properties

    NASA Astrophysics Data System (ADS)

    Xie, Junqi; Tolle, J.; D'Costa, V. R.; Weng, C.; Chizmeshya, A. V. G.; Menendez, J.; Kouvetakis, J.

    2009-08-01

    We report the development of practical doping protocols via designer molecular sources to create n- and p-type doped Ge 1-ySn y layers grown directly upon Si(1 0 0). These materials will have applications in the fabrication of advanced PIN devices that are intended to extend the infrared optical response beyond that of Ge by utilizing the Sn composition as an additional design parameter. Highly controlled and efficient n-doping of single-layer structures is achieved using custom built P(GeH 3) 3 and As(GeH 3) 3, precursors containing preformed Ge-As and Ge-P near-tetrahedral bonding arrangements compatible with the structure of the host Ge-Sn lattice. Facile substitution and complete activation of the P and As atoms at levels ˜10 17-10 19 cm -3 is obtained via in situ depositions at low temperatures (350 °C). Acceptor doping is readily achieved using conventional diborane yielding carrier concentrations between 10 17-10 19 cm -3 under similar growth conditions. Full activation of the as-grown dopant concentrations is demonstrated by combined SIMS and Hall experiments, and corroborated using a contactless spectroscopic ellipsometry approach. RTA processing of the samples leads to a significant increase in carrier mobility comparable to that of bulk Ge containing similar doping levels. The alloy scattering contribution appears to be negligible for electron carrier concentrations beyond 10 19 cm -3 in n-type samples and hole concentrations beyond 10 18 cm -3 in p-type samples. A comparative study using the classical lower-order hydrides PH 3 and AsH 3 produced n-doped films with carrier densities (up to 9 × 10 19 cm -3) similar to those afforded by P(GeH 3) 3 and As(GeH 3) 3. However, early results indicate that the simpler PH 3 and AsH 3 sources yield materials with inferior morphology and microstructure. Calculations of surface energetics using bond enthalpies suggest that the latter massive compounds bind to the surface via strong Ge-Ge bonds and likely act as

  5. HfO2 gate dielectric on Ge (1 1 1) with ultrathin nitride interfacial layer formed by rapid thermal NH3 treatment

    NASA Astrophysics Data System (ADS)

    Agrawal, Khushabu S.; Patil, Vilas S.; Khairnar, Anil G.; Mahajan, Ashok M.

    2016-02-01

    Interfacial properties of the ALD deposited HfO2 over the surface nitrided germanium substrate have been studied. The formation of GeON (∼1.7 nm) was confirmed by X-ray photoelectron spectroscopy (XPS) and high resolution transmission electron spectroscopy (HRTEM) over the germanium surface. The effect of post deposition annealing temperature was investigated to study the interfacial and electrical properties of hafnium oxide/germanium oxynitride gate stacks. The high-k MOS devices with ultrathin GeON layer shows the good electrical characteristics including higher k value ∼18, smaller equivalent oxide thickness (EOT) around 1.5 nm and smaller hysteresis value less than 170 mV. The Qeff and Dit values are somewhat greater due to the (1 1 1) orientation of the germanium and may be due to the presence of nitrogen at the interface. The Fowler-Northeim (FN) tunneling of Ge MOS devices has been studied. The barrier height ΦB extracted from the plot is ∼1 eV.

  6. Syntheses, structural variants and characterization of AInM′S{sub 4} (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS{sub 4} and KInSnS{sub 4} compounds

    SciTech Connect

    Yohannan, Jinu P.; Vidyasagar, Kanamaluru

    2016-06-15

    Ten AInM′S{sub 4} (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. KInGeS{sub 4}(1-β), RbInGeS{sub 4}(2), CsInGeS{sub 4}(3-β), TlInGeS{sub 4}(4-β), RbInSnS{sub 4}(8-β) and CsInSnS{sub 4}(9) compounds with three-dimensional BaGa{sub 2}S{sub 4} structure and CsInGeS{sub 4}(3-α) and TlInGeS{sub 4}(4-α) compounds with a layered TlInSiS{sub 4} structure have tetrahedral [InM′S{sub 4}]{sup −} frameworks. On the other hand, LiInSnS{sub 4}(5) with spinel structure and NaInSnS{sub 4}(6), KInSnS{sub 4}(7), RbInSnS{sub 4}(8-α) and TlInSnS{sub 4}(10) compounds with layered structure have octahedral [InM′S{sub 4}]{sup −} frameworks. NaInSnS{sub 4}(6) and KInSnS{sub 4}(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. - Graphical abstract: NaInSnS{sub 4} and KInSnS{sub 4} compounds undergo, in aqueous medium at room temperature, facile topotactic ion-exchange with mono, di and trivalent cations. Display Omitted - Highlights: • Ten AInM′S{sub 4} compounds with diverse structure types were synthesized. • They are wide band gap semiconductors. • NaInSnS{sub 4} and KInSnS{sub 4} compounds undergo facile topotactic ion-exchange at room temperature.

  7. Lattice thermal conductivity of TixZryHf1 -x -yNiSn half-Heusler alloys calculated from first principles: Key role of nature of phonon modes

    NASA Astrophysics Data System (ADS)

    Eliassen, Simen N. H.; Katre, Ankita; Madsen, Georg K. H.; Persson, Clas; Løvvik, Ole Martin; Berland, Kristian

    2017-01-01

    In spite of their relatively high lattice thermal conductivity κℓ, the X NiSn (X =Ti , Zr, or Hf) half-Heusler compounds are good thermoelectric materials. Previous studies have shown that κℓ can be reduced by sublattice alloying on the X site. To cast light on how the alloy composition affects κℓ, we study this system using the phonon Boltzmann-transport equation within the relaxation time approximation in conjunction with density functional theory. The effect of alloying through mass-disorder scattering is explored using the virtual crystal approximation to screen the entire ternary TixZryHf1 -x -yNiSn phase diagram. The lowest lattice thermal conductivity is found for the TixHf1 -xNiSn compositions; in particular, there is a shallow minimum centered at Ti0.5Hf0.5NiSn with κℓ taking values between 3.2 and 4.1 W/mK when the Ti content varies between 20% and 80%. Interestingly, the overall behavior of mass-disorder scattering in this system can only be understood from a combination of the nature of the phonon modes and the magnitude of the mass variance. Mass-disorder scattering is not effective at scattering acoustic phonons of low energy. By using a simple model of grain boundary scattering, we find that nanostructuring these compounds can scatter such phonons effectively and thus further reduce the lattice thermal conductivity; for instance, Ti0.5Hf0.5NiSn with a grain size of L =100 nm experiences a 42% reduction of κℓ compared to that of the single crystal.

  8. Tilting structures in inverse perovskites, M3TtO (M = Ca, Sr, Ba, Eu; Tt = Si, Ge, Sn, Pb).

    PubMed

    Nuss, Jürgen; Mühle, Claus; Hayama, Kyouhei; Abdolazimi, Vahideh; Takagi, Hidenori

    2015-06-01

    Single-crystal X-ray diffraction experiments were performed for a series of inverse perovskites, M3TtO (M = Ca, Sr, Ba, Eu; Tt = tetrel element: Si, Ge, Sn, Pb) in the temperature range 500-50 K. For Tt = Sn, Pb, they crystallize as an 'ideal' perovskite-type structure (Pm3m, cP5); however, all of them show distinct anisotropies of the displacement ellipsoids of the M atoms at room temperature. This behavior vanishes on cooling for M = Ca, Sr, Eu, and the structures can be regarded as `ideal' cubic perovskites at 50 K. The anisotropies of the displacement ellipsoids are much more enhanced in the case of the Ba compounds. Finally, their structures undergo a phase transition at ∼ 150 K. They change from cubic to orthorhombic (Ibmm, oI20) upon cooling, with slightly tilted OBa6 octahedra, and bonding angles O-Ba-O ≃ 174° (100 K). For the larger Ba(2+) cations, the structural changes are in agreement with smaller tolerance factors (t) as defined by Goldschmidt. Similar structural behavior is observed for Ca3TtO. Smaller Tt(4-) anions (Si, Ge) introduce reduced tolerance factors. Both compounds Ca3SiO and Ca3GeO with cubic structures at 500 K, change into orthorhombic (Ibmm) at room temperature. Whereby, Ca3SiO is the only representative within the M3TtO family where three polymorphs can be found within the temperature range 500-50 K: Pm3m-Ibmm-Pbnm. They show tiny differences in the tilting of the OCa6 octahedra, expressed by O-Ca-O bond angles of 180° (500 K), ∼ 174° (295 K) and 170° (100 K). For larger M (Sr, Eu, Ba), together with smaller Tt (Si, Ge) atoms, pronounced tilting of the OM6 octahedra, and bonding angles of O-M-O ≃ 160° (295 K) are observed. They crystallize in the anti-GdFeO3 type of structure (Pbnm, oP20), and no phase transitions occur between 500 and 50 K. The observed phase transitions are all accompanied by multiple twinning, in terms of pseudo-merohedry or reticular pseudo-merohedry.

  9. 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.

  10. High-mobility two-dimensional electron gas in SrGeO3- and BaSnO3-based perovskite oxide heterostructures: an ab initio study.

    PubMed

    Wang, Yaqin; Tang, Wu; Cheng, Jianli; Nazir, Safdar; Yang, Kesong

    2016-11-23

    We explored the possibility of producing a high-mobility two-dimensional electron gas (2DEG) in the LaAlO3/SrGeO3 and LaGaO3/BaSnO3 heterostructures using first-principles electronic structure calculations. Our results show that the 2DEG occurs at n-type LaAlO3/SrGeO3 and LaGaO3/BaSnO3 interfaces. Compared to the prototype LaAlO3/SrTiO3, LaAlO3/SrGeO3 and LaGaO3/BaSnO3 systems yield comparable total interfacial charge carrier density but much lower electron effective mass (nearly half the value of LaAlO3/SrTiO3), thus resulting in about twice larger electron mobility and enhanced interfacial conductivity. This work demonstrates that SrGeO3 and BaSnO3 can be potential substrate materials to achieve a high-mobility 2DEG in the perovskite-oxide heterostructures.

  11. Performance enhancement in uniaxially tensile stressed GeSn n-channel fin tunneling field-effect transistor: Impact of stress direction

    NASA Astrophysics Data System (ADS)

    Wang, Hongjuan; Han, Genquan; Jiang, Xiangwei; Liu, Yan; Zhang, Chunfu; Zhang, Jincheng; Hao, Yue

    2017-04-01

    In this work, the boosting effect on the performance of GeSn n-channel fin tunneling FET (nFinTFET) enabled by uniaxial tensile stress is investigated theoretically. As the fin rotates within the (001) plane, the uniaxial tensile stress is always along its direction. The electrical characteristics of tensile-stressed GeSn nFinTFETs with point and line tunneling modes are computed utilizing the technology computer aided design (TCAD) simulator in which the dynamic nonlocal band-to-band tunneling (BTBT) algorithm is employed. In comparison with the relaxed devices, tensile-stressed GeSn nFinTFETs achieve a substantial enhancement in band-to-band tunneling generation rate (G BTBT) and on-state current I ON owing to the reduced bandgap E G induced by the tensile stress. Performance improvement of GeSn nFinTFETs induced by tensile stress demonstrates a strong dependence on channel direction and tunneling modes. Under the same magnitude of stress, line-nFinTFETs obtain a more pronounced I ON enhancement over the transistors with point tunneling mode.

  12. Complementary metal-oxide semiconductor-compatible detector materials with enhanced 1550 nm responsivity via Sn-doping of Ge/Si(100)

    NASA Astrophysics Data System (ADS)

    Roucka, Radek; Beeler, Richard; Mathews, Jay; Ryu, Mee-Yi; Kee Yeo, Yung; Menéndez, José; Kouvetakis, John

    2011-05-01

    Previously developed methods used to grow Ge1-ySny alloys on Si are extended to Sn concentrations in the 1019-1020 cm-3 range. These concentrations are shown to be sufficient to engineer large increases in the responsivity of detectors operating at 1550 nm. The dopant levels of Sn are incorporated at temperatures in the 370-390 °C range, yielding atomically smooth layers devoid of threading defects at high growth rates of 15-30 nm/min. These conditions are far more compatible with complementary metal-oxide semiconductor processing than the high growth and processing temperatures required to achieve the same responsivity via tensile strain in pure Ge on Si. A detailed study of a detector based on a Sn-doped Ge layer with 0.25% (1.1 × 1020 cm-3) Sn range demonstrates the responsivity enhancement and shows much better I-V characteristics than previously fabricated detectors based on Ge1-ySny alloys with y = 0.02.

  13. Electronic, structural, and magnetic properties of the quaternary Heusler alloy NiCoMnZ (Z=Al, Ge, and Sn)

    NASA Astrophysics Data System (ADS)

    Halder, Madhumita; Mukadam, M. D.; Suresh, K. G.; Yusuf, S. M.

    2015-03-01

    The electronic, magnetic, and structural properties of the Heusler alloys NiCoMnZ (Z=Al, Ge, and Sn) have been investigated both theoretically and experimentally. NiCoMnGe and NiCoMnSn have ordered cubic Heusler structure (with a possible disorder between Ni and Co), while NiCoMnAl has a B2 type disordered Heusler structure with random occupancy between Mn and Al atom at their crystallographic sites. Electronic structure calculation shows that NiCoMnGe and NiCoMnSn are normal ferromagnets, whereas NiCoMnAl is nearly half metallic (~100% spin polarization) in nature with its magnetic moment close to an integer value following the Slater-Pauling rule. Ab-initio calculations show ~56% and ~60% spin polarization for NiCoMnGe and NiCoMnSn, respectively. Magnetization measurements show all the three compounds have a high Curie temperature (>583 K).

  14. Nanostructure and Phases Formation under Mechanical Alloying of Bynary Powder Mixtures of Fe and sp-Element (M); M = C,B,Al,Si,Ge,Sn

    NASA Astrophysics Data System (ADS)

    Yelsukov, E. P.; Dorofeev, G. A.

    2005-07-01

    The processes of mechanical alloying of iron and sp-elements (C, B, Al, Si, Ge, Sn) under identical conditions of mechanical treatment have been studied. General regularities and differences in the mechanisms and kinetics of solid state reactions have been ascertained. A microscopic model of mechanical alloying in these systems is suggested.

  15. 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).

  16. Does a network structure exist in molecular liquid SnI4 and GeI4?

    NASA Astrophysics Data System (ADS)

    Sakagami, Takahiro; Fuchizaki, Kazuhiro

    2017-04-01

    The existence of a network structure consisting of electrically neutral tetrahedral molecules in liquid SnI4 and GeI4 at ambient pressure was examined. The liquid structures employed for the examination were obtained from a reverse Monte Carlo analysis. The structures were physically interpreted by introducing an appropriate intermolecular interaction. A ‘bond’ was then defined as an intermolecular connection that minimizes the energy of intermolecular interaction. However, their ‘bond’ energy is too weak for the ‘bond’ and the resulting network structure to be defined statically. The vertex-to-edge orientation between the nearest molecules is so ubiquitous that almost all of the molecules in the system can take part in the network, which is reflected in the appearance of a prepeak in the structure factor.

  17. Characterization of optical constants and dispersion parameters of highly transparent Ge20Se76Sn4 amorphous thin film

    NASA Astrophysics Data System (ADS)

    Abd-Elrahman, M. I.; Hafiz, M. M.; Abdelraheem, A. M.; Abu-Sehly, A. A.

    2015-12-01

    Amorphous chalcogenide Ge20Se76Sn4 thin films of six different thicknesses (50-350 nm) are prepared by the thermal evaporation technique. Optical transmission and reflection spectra, in the wavelength range of the incident photons from 250 to 2500 nm, are used to study the effect of the film thickness on some optical properties. It is found that the effect of film thickness leads to increase in the absorption coefficient, refractive index, extinction coefficient and the width of the tails of localized states in the gap region. The decrease in optical band gap energy with increasing the film thickness is attributed to the formation of a band tail which narrows down the band gap. Dispersion analyses of refractive index reveal a decrease in the single-oscillator energy and an increase in the dispersion energy with increase in film thickness.

  18. Crystal structure, chemical bonding and magnetism studies for three quinary polar intermetallic compounds in the (Eu(1-x)Ca(x))9In8(Ge(1-y)Sn(y))8 (x = 0.66, y = 0.03) and the (Eu(1-x)Ca(x))3In(Ge(3-y)Sn(1+y)) (x = 0.66, 0.68; y = 0.13, 0.27) phases.

    PubMed

    Woo, Hyein; Jang, Eunyoung; Kim, Jin; Lee, Yunho; Kim, Jongsik; You, Tae-Soo

    2015-04-22

    Three quinary polar intermetallic compounds in the (Eu(1-x)Ca(x))9In8(Ge(1-y)Sn(y))8 (x = 0.66, y = 0.03) and the (Eu(1-x)Ca(x))3In(Ge(3-y)Sn(1+y)) (x = 0.66, 0.68; y = 0.13, 0.27) phases have been synthesized using the molten In-metal flux method, and the crystal structures are characterized by powder and single-crystal X-ray diffractions. Two orthorhombic structural types can be viewed as an assembly of polyanionic frameworks consisting of the In(Ge/Sn)4 tetrahedral chains, the bridging Ge2 dimers, either the annulene-like "12-membered rings" for the (Eu(1-x)Ca(x))9In8(Ge(1-y)Sn(y))8 series or the cis-trans Ge/Sn-chains for the (Eu(1-x)Ca(x))3In(Ge(3-y)Sn(1+y)) series, and several Eu/Ca-mixed cations. The most noticeable difference between two structural types is the amount and the location of the Sn-substitution for Ge: only a partial substitution (11%) occurs at the In(Ge/Sn)4 tetrahedron in the (Eu(1-x)Ca(x))9In8(Ge(1-y)Sn(y))8 series, whereas both a complete and a partial substitution (up to 27%) are observed, respectively, at the cis-trans Ge/Sn-chain and at the In(Ge/Sn)4 tetrahedron in the (Eu(1-x)Ca(x))3In(Ge(3-y)Sn(1+y)) series. A series of tight-binding linear muffin-tin orbital calculations is conducted to understand overall electronic structures and chemical bonding among components. Magnetic susceptibility measurement indicates a ferromagnetic ordering of Eu atoms below 5 K for Eu1.02(1)Ca1.98InGe2.87(1)Sn1.13.

  19. 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.

  20. Low-temperature properties of CeAu2Ge2 single crystals grown from Au-Ge and Sn flux

    NASA Astrophysics Data System (ADS)

    Huang, C. L.; Fritsch, V.; Kittler, W.; v. Löhneysen, H.

    2012-12-01

    The specific heat of CeAu2Ge2 single crystals grown from Au-Ge (AGF) or Sn flux (SF) was measured at temperatures T between 1.8 and 200 K. Two magnetic transitions are observed in the zero-field specific heat at 12.1 and 14.5 K in the AGF sample, while only a single sharp transition at 9.2 K is seen in the SF sample, confirming our recent susceptibility results [Fritsch , Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.84.104446 84, 104446 (2011)]. We observe several field-induced transitions in the magnetoresistance of the AGF sample measured at 1.6 and 2.3 K in accordance with the B-T phase diagram constructed from isothermal magnetization curves M(B). In addition, we have measured M(B) under hydrostatic pressure P up to 10.5 kbar. The Néel temperature TN increases linearly with P at a small rate of 0.049 K/kbar, which suggests that, if TN(P) is attributed to a pure volume effect, this compound is close to the maximum transition temperature of the Doniach diagram. The transition fields BM between the field-induced phases increase linearly with P as well. The comparable Grüneisen parameters of TN and BM indicate that the energy scale depending on the sample's volume is given by the antiferromagnetic correlations and not by the Kondo effect. We discuss possible reasons for the different magnetic behavior of AGF and SF samples.

  1. Chemical pressure effects on magnetism in the quantum spin liquid candidates Yb2X2O7 (X =Sn, Ti, Ge)

    NASA Astrophysics Data System (ADS)

    Dun, Z. L.; Lee, M.; Choi, E. S.; Hallas, A. M.; Wiebe, C. R.; Gardner, J. S.; Arrighi, E.; Freitas, R. S.; Arevalo-Lopez, A. M.; Attfield, J. P.; Zhou, H. D.; Cheng, J. G.

    2014-02-01

    The linear and nonlinear ac susceptibility measurements of Yb-pyrochlores, Yb2X2O7 (X =Sn, Ti, and Ge), show transitions with a ferromagnetic nature at 0.13 and 0.25 K for Yb2Sn2O7 and Yb2Ti2O7, respectively, and an antiferromagnetic ordering at 0.62 K for Yb2Ge2O7. These systematical results (i) provided information about the nature of the unconventional magnetic ground state in Yb2Ti2O7; (ii) realized a distinct antiferromagnetic ordering state in Yb2Ge2O7; and (iii) demonstrated that the application of chemical pressure through the series of Yb-pyrochlores can efficiently perturb the fragile quantum spin fluctuations of the Yb3+ ions and lead to very different magnetic ground states.

  2. Emission of forward neutrons by 158A GeV indium nuclei in collisions with Al, Cu, Sn and Pb

    NASA Astrophysics Data System (ADS)

    Karpechev, E. V.; Pshenichnov, I. A.; Karavicheva, T. L.; Kurepin, A. B.; Golubeva, M. B.; Guber, F. F.; Maevskaya, A. I.; Reshetin, A. I.; Tiflov, V. V.; Topilskaya, N. S.; Cortese, P.; Dellacasa, G.; Arnaldi, R.; De Marco, N.; Ferretti, A.; Gallio, M.; Musso, A.; Oppedisano, C.; Piccotti, A.; Scomparin, E.; Vercellin, E.; Cicalò, C.; Puddu, G.; Siddi, E.; Szymanski, P.; Efthymiopoulos, I.

    2014-01-01

    The cross sections of forward emission of one, two and three neutrons by 158A GeV 115In nuclei in collisions with Al, Cu, Sn and Pb targets are reported. The measurements were performed in the framework of the ALICE-LUMI experiment at the SPS facility at CERN. Various corrections accounting for the absorption of beam nuclei and produced neutrons in target material and surrounding air were introduced. The corrected cross section data are compared with the predictions of the RELDIS model for electromagnetic fragmentation of 115In in ultraperipheral collisions, as well as with the results of the abrasion-ablation model for neutron emission in hadronic interactions. The measured neutron emission cross sections well agree with the RELDIS results, with the exception of In-Al collisions where the measured cross sections are larger compared to RELDIS. This is attributed to a relatively large contribution of hadronic fragmentation of In on Al target with respect to electromagnetic fragmentation, in contrast to similar measurements performed earlier with 30A GeV 208Pb colliding with Al.

  3. Structure and stability of noble gas bound EX3+ compounds (E = C, Ge, Sn, Pb; X = H, F, Cl, Br).

    PubMed

    Pan, Sudip; Moreno, Diego; Ghosh, Sreyan; Chattaraj, Pratim K; Merino, Gabriel

    2016-01-15

    It has been analyzed at the MP2/def2-QZVPPD level whether EX3+ (E = C-Pb; X = H, F-Br) can bind noble gas atoms. Geometrical and electronic structures, dissociation energy values, thermochemical parameters, natural bond order, electron density, and energy decomposition analyses highlight the possibility of such noble gas bound EX3+ compounds. Except He and Ne, the other heavier congeners of this family make quite strong bonds with E. In fact, the dissociations of Ar-Rn bound analogues turn out to be endergonic in nature at 298 K, except in the cases of ArGe Cl3+, Ar/KrGeBr3+, and ArSnBr3+. GeH3+ and EF3+ (E = Ge-Pb) can even bind two Ng atoms with reasonably high dissociation energy. As the pz orbital of the E center in EX3+ plays a crucial role in its binding with the noble gas atoms, the effect of the π back-bonding causing X → E electron transfer ought to be properly understood. Due to the larger back-donation, the Ng binding ability of EX3+ gradually decreases along F to Br. EH2+ and the global minimum HE(+…) H2 (E = Sn, Pb) complexes are also able to bind Ar-Rn atoms quite effectively. The NgE bonds in Ar-Rn bound CH3+, GeH3+, and EF3+ (E = Ge-Pb) and Xe/RnE bonds in NgECl3+ and NgEBr3+ (E = Ge, Sn) are mainly of covalent type.

  4. Study of low-defect and strain-relaxed GeSn growth via reduced pressure CVD in H2 and N2 carrier gas

    NASA Astrophysics Data System (ADS)

    Margetis, J.; Mosleh, A.; Al-Kabi, S.; Ghetmiri, S. A.; Du, W.; Dou, W.; Benamara, M.; Li, B.; Mortazavi, M.; Naseem, H. A.; Yu, S.-Q.; Tolle, J.

    2017-04-01

    High quality, thick (up to 1.1 μm), strain relaxed GeSn alloys were grown on Ge-buffered Si (1 0 0) in an ASM Epsilon® chemical vapor deposition system using SnCl4 and low-cost commercial GeH4 precursors. The significance of surface chemistry in regards to growth rate and Sn-incorporation is discussed by comparing growth kinetics data in H2 and N2 carrier gas. The role of carrier gas is also explored in the suppression of Sn surface segregation and evolution of layer composition and strain profiles via secondary ion mass spectrometry and X-ray diffraction. Transmission electron microscopy revealed the spontaneous compositional splitting and formation of a thin intermediate layer in which dislocations are pinned. This intermediate layer enables the growth of a thick, strain relaxed, and defect-free epitaxial layer on its top. Last, we present photoluminescence results which indicate that both N2 and H2 growth methods produce optoelectronic device quality material.

  5. Thermal stability and relaxation mechanisms in compressively strained Ge{sub 0.94}Sn{sub 0.06} thin films grown by molecular beam epitaxy

    SciTech Connect

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

    2016-08-28

    Strained Ge{sub 1-x}Sn{sub x} 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 Ge{sub 0.94}Sn{sub 0.06} 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 Ge{sub 0.94}Sn{sub 0.06} films grown by molecular beam epitaxy.

  6. 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.

  7. CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES: Some Properties of Si, Ge, and α-Sn Using Pseudopotential Theory

    NASA Astrophysics Data System (ADS)

    Vyas, P. S.; Thakore, B. Y.; Gajjar, P. N.; Jani, A. R.

    2010-09-01

    The pseudopotential theory beyond second order with our well established single parametric model potential is employed to compute total crystal energy, static bulk modulus, energy band gap at the point X on the Jones-zone face and pressure-volume relation (equation of state under pressure) of Si, Ge and α-Sn using Nagy's static local field correction function. The results are compared with those obtained using few other local field correction functions. The present results of total energy are in good agreement with the experimental data. Bulk modulus calculated by Nagy's screening function is perfectly matching with the experimental results for Ge and α-Sn. Some deviation is found in the value of energy band gap.

  8. 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.

  9. The study of thermal and optical properties of Sn added Pb-Se-Ge chalcogenide glass

    NASA Astrophysics Data System (ADS)

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

    2014-04-01

    Compositional dependence of thermal and optical properties of Pb9Se71Ge20-xSnx (x = 8, 9,10,11,12 at. %) glass have been studied. Glass transition and crystallization kinetic has been investigated by DSC technique under non-isothermal conditions and at different heating rates. Phase separation in the material has been observed and present phases have been detected by examining the XRD of annealed bulk samples. Material possesses good glass forming ability, glass stability and high value glass transition temperature. Various optical constants such as refractive index, extinction coefficient and optical band gap have been determined by analyzing optical transmittance data in the wavelength range of 200-2500 nm.

  10. 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.

  11. Effect of ion implantation energy for the synthesis of Ge nanocrystals in SiN films with HfO2/SiO2 stack tunnel dielectrics for memory application

    PubMed Central

    2011-01-01

    Ge nanocrystals (Ge-NCs) embedded in SiN dielectrics with HfO2/SiO2 stack tunnel dielectrics were synthesized by utilizing low-energy (≤5 keV) ion implantation method followed by conventional thermal annealing at 800°C, the key variable being Ge+ ion implantation energy. Two different energies (3 and 5 keV) have been chosen for the evolution of Ge-NCs, which have been found to possess significant changes in structural and chemical properties of the Ge+-implanted dielectric films, and well reflected in the charge storage properties of the Al/SiN/Ge-NC + SiN/HfO2/SiO2/Si metal-insulator-semiconductor (MIS) memory structures. No Ge-NC was detected with a lower implantation energy of 3 keV at a dose of 1.5 × 1016 cm-2, whereas a well-defined 2D-array of nearly spherical and well-separated Ge-NCs within the SiN matrix was observed for the higher-energy-implanted (5 keV) sample for the same implanted dose. The MIS memory structures implanted with 5 keV exhibits better charge storage and retention characteristics compared to the low-energy-implanted sample, indicating that the charge storage is predominantly in Ge-NCs in the memory capacitor. A significant memory window of 3.95 V has been observed under the low operating voltage of ± 6 V with good retention properties, indicating the feasibility of these stack structures for low operating voltage, non-volatile memory devices. PMID:21711708

  12. Ternary arsenides ATt{sub 3}As{sub 3} (A=K, Rb; Tt=Ge, Sn) with layered structures

    SciTech Connect

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

    2016-06-15

    The four ternary arsenides ATt{sub 3}As{sub 3} (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 KGe{sub 3}As{sub 3} to a=10.3211(11) Å, b=4.0917(4) Å, c=19.570(2) Å for RbSn{sub 3}As{sub 3}) containing corrugated [Tt{sub 3}As{sub 3}] 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 KGe{sub 3}As{sub 3}, 0.50 eV in KSn{sub 3}As{sub 3}). - Graphical abstract: Ternary arsenides ATt{sub 3}As{sub 3} (A=K, Rb; Tt=Ge, Sn) contain corrugated layers with Tt atoms in three different oxidation states and are narrow band gap semiconductors. Display Omitted - Highlights: • ATt{sub 3}As{sub 3} (A=K, Rb; Tt=Ge, Sn) contains Tt atoms in three oxidation states. • The structure differs from NaGe{sub 3}P{sub 3} in terms of layer stacking arrangement. • The compounds are predicted to be narrow band gap semiconductors.

  13. Superconductivity and crystal and electronic structures in hydrogenated and disordered Nb3Ge and Nb3Sn layers with A15 structure

    NASA Astrophysics Data System (ADS)

    Nölscher, C.; Saemann-Ischenko, G.

    1985-08-01

    Superconducting and transport properties of Nb3Ge and Nb3Sn layers have been varied over a wide range by hydrogenation, ion irradiation, and annealing. After hydrogenation, both compounds remain in the A15 structure and no effects of hydride precipitations at low temperatures could be observed. At high ion-irradiation doses Nb3Ge becomes amorphous, but Nb3Sn remains in the A15 structure, although Tc behaves similarly. The long-range order parameter SA and the mean displacement amplitude 1/2 were determined for Nb3Sn with x-ray diffraction. Distinct differences between the irradiation- and annealing-induced correlations of Tc versus Sa, Tc versus , and Tc versus lattice parameter were observed. This indicates the influence of topological short-range order. The correlations of Tc versus residual resistivity and Tc versus the temperature derivative of the upper critical field at Tc are distinctly different for hydrogenated and irradiated Nb3Sn and Nb3Ge, but the derived correlations of Tc versus the coefficient of the electronic specific heat are very similar. The results are interpreted by a dominant influence of the Γ12 band on high Tc. The measurements of the Hall constant RH indicate a filling of steep electronic bands as a result of hydrogenation. Irradiation has a similar influence as thermal-induced disorder on RH. A maximum in the temperature dependence of RH indicates a martensitic transformation of Nb3Sn at 50-55 K, which is unchanged in slightly hydrogenated samples with higher Tc but vanishes in irradiated samples.

  14. 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.

  15. 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.

  16. X-ray absorption study of potential barrier effect in group 14 tetrachlorides (GeCl 4, SnCl 4) and group 15 trichlorides (PCl 3, AsCl 3)

    NASA Astrophysics Data System (ADS)

    Guillot, Florence; Dézarnaud-Dandine, Christine; Tronc, Michel

    1997-12-01

    Inner-shell excitation spectra of GeCl 4, SnCl 4, PCl 3 and AsCl 3 were obtained in gas phase at room temperature with a total ion-yield technique at the LURE Super ACO and DCI storage rings in Orsay. The inner-shell excitation spectra include Ge 2p, Sn 2p, P 1s, As 2p, and Cl 1s in GeCl 4, SnCl 4, PCl 3 and AsCl 3, respectively, and are interpreted in the framework of the potential barrier concept, according to electric dipole selection rules. The well-resolved below-edge features in the metal 2p excitation spectra of GeCl 4 and SnCl 4 show a similar shape. Moreover, complementary experimental results of ETS with the support of MS-X α calculations are reported and correlated with the C 1s, Si 2p, Ge 2p and Sn 2p term values of the lowest vacant orbitals for CCl 4, SiCl 4, GeCl 4 and SnCl 4, respectively, in order to study the trend of the stabilization energy of the various empty orbitals in the neutral and in the core ionized molecules. The P 1s spectrum of PCl 3 has been assigned and the As 2p spectrum of AsCl 3 compared with the published P 2p spectrum of PCl 3. The 1s excitation spectra of the chlorine ligand in the tetrachloride (GeCl 4, SnCl 4 and trichloride (PCl 3, AsCl 3) series are very sensitive to the change of symmetry and bonding. A linear correlation between (MCl) bond lenght (with M  Ge, Sn, P, As) and the energy of the Cl 1 s → σ ∗ (MCl) shape resonance observed above the Cl is ionization threshold has been obtained.

  17. 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.

  18. Large band gap quantum spin hall insulators of fluorinated Pb-X (X = C, Si, Ge, Sn)

    NASA Astrophysics Data System (ADS)

    Padilha, Jose Eduardo; Pontes, Renato Borges; Schmidt, Tome Mauro; Miwa, Roberto Hiroki; Fazzio, Adalberto

    The Quantum Spin Hall Insulating (QSHI) phase was first observed in the HgTe/CdTe quantum well structure. However, the observed band gap of 5 meV is too small for practical applications. Other materials have also been proposed for the observation of the QSHI phase, such as silicene, germanene, stanene, and its halogenated phases. The spin-orbit interaction is a key feature in topological insulators, raising the interest in heavy elements, such as Bismuth. In fact, Bi is responsible for the high spin-orbit coupling that drives the band inversion in Bi2 Se 3 andBi 2Te3. Another element that also has a large spin-orbit interaction is Lead (Pb). Here we present a set of 2D QSH insulators with a very large band gap based on fluorinated Pb-X (X= C, Si, Ge, Sn). First-principles phonon dispersion calculations indicate that these systems are structurally and mechanically stable. By performing DFT-based electronic structure calculations we show that 2D Pb-X functionalized with fluorine are topological insulators with very large band gaps (over 0.7 eV). Addtional calculations, for nanoribbons structures, show the presence of a Dirac cone at the center of the Brillouin zone. These results can establish a new route to the observation of QSHI phase at room temperature.

  19. 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.

  20. First-principles study of new series of quaternary Heusler alloys CsSrCZ (Z=Si, Ge, Sn, P, As, and Sb)

    NASA Astrophysics Data System (ADS)

    Bouabça, A.; Rozale, H.; Amar, A.; Wang, X. T.; Sayade, A.; Chahed, A.

    2016-12-01

    The structural, electronic, magnetic, and thermal properties of new quaternary Heusler alloys CsSrCZ (Z=Si, Ge, Sn, P, As, and Sb) were investigated using the full-potential linearized augmented plane wave (FPLAPW) within the generalized gradient approximation (GGA) and GGA plus modified Becke and Johnson as the exchange correlation. The results showed that all Heusler compounds were stable in Type (I) structure. The CsSrCZ (Z=Si, Ge, Sn) compounds had a nearly HM characteristic, and CsSrCZ (Z=P, As, Sb) compounds were true half-metallic (HM) ferromagnets. The strong spin polarization of p orbital for C, Si, Ge, Sn, P, As, and Sb atoms is found to be the origin of ferromagnetic. The half-metallicity is preserved up to a lattice contraction of 3.45%, 1.69%, 1.69%, 7.16%, 7.16%, and 11.2% for all six quaternary Heusler compounds. We also investigated the thermal effects using the quasi-harmonic Debye model.

  1. 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].

  2. 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. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Crystal structure and magnetic properties of novel Hf{sub 3}Ni{sub 2}Si{sub 3}-type R{sub 3}Co{sub 2}Ge{sub 3} compounds (R=Y, Sm, Tb-Tm)

    SciTech Connect

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

    2012-12-15

    The novel R{sub 3}Co{sub 2}Ge{sub 3} compounds with R=Y, Sm, Tb-Tm adopt the Hf{sub 3}Ni{sub 2}Si{sub 3}-type structure (ordered variant of the Ca{sub 3}Ga{sub 5}-type one, space group Cmcm). Sm{sub 3}Co{sub 2}Ge{sub 3}, Tb{sub 3}Co{sub 2}Ge{sub 3}, Ho{sub 3}Co{sub 2}Ge{sub 3} and Er{sub 3}Co{sub 2}Ge{sub 3} undergo an antiferromagnetic-type ordering and Tb{sub 3}Co{sub 2}Ge{sub 3} demonstrates a field-sensitive magnetic behavior. Tm{sub 3}Co{sub 2}Ge{sub 3} is a pure paramagnet down to 5 K, whereas Y{sub 3}Co{sub 2}Ge{sub 3} demonstrates Pauli paramagnetism down to {approx}120 K. In zero applied field and between {approx}50 and {approx}15 K Tb{sub 3}Co{sub 2}Ge{sub 3} shows a non-collinear antiferromagnetic ordering with wave vectors K{sub 0}=[0, 0, 0] and K{sub 1}=[{+-}1/3, 0, 0] and a magnetic unit cell 3a{sub Tb{sub 3Co{sub 2Ge{sub 2}}}} Multiplication-Sign b{sub Tb{sub 3Co{sub 2Ge{sub 3}}}} Multiplication-Sign c{sub Tb{sub 3Co{sub 2Ge{sub 3}}}} , whereas below {approx}15 K it exhibits a complex antiferromagnetic ordering with K{sub 0}=[0, 0, 0], K{sub 1}=[{+-}1/3, 0, 0] and K{sub 2}=[1/2, 0, 0] wave vectors and magnetic unit cell 6a{sub Tb{sub 3Co{sub 2Ge{sub 2}}}} Multiplication-Sign b{sub Tb{sub 3Co{sub 2Ge{sub 2}}}} Multiplication-Sign c{sub Tb{sub 3Co{sub 2Ge{sub 2}}}}. - Graphical abstract: The Hf{sub 3}Ni{sub 2}Si{sub 3}-type {l_brace}Y, Sm, Gd-Tm{r_brace}{sub 3}Co{sub 2}Ge{sub 3} (space group Cmcm) demonstrate complex field sensitive antiferromagnetic ordering. The rare earth sublattice of 4d site plays crucial role in the magnetisation of R{sub 3}Co{sub 2}Ge{sub 3} compounds. Highlights: Black-Right-Pointing-Pointer The {l_brace}Y, Sm, Gd-Tm{r_brace}{sub 3}Co{sub 2}Ge{sub 3} adopts the Hf{sub 3}Ni{sub 2}Si{sub 3}-type structure (space group Cmcm). Black-Right-Pointing-Pointer They demonstrate complex field sensitive antiferromagnetic ordering. Black-Right-Pointing-Pointer The 4d site rare earth sublattice plays crucial role in the magnetism of R{sub 3

  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. 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.

  6. A Stannyl-Decorated Zintl Ion [Ge18Pd3(Sn(i)Pr3)6](2-): Twinned Icosahedron with a Common Pd3-Face or 18-Vertex Hypho-Deltahedron with a Pd3-Triangle Inside.

    PubMed

    Perla, Luis G; Sevov, Slavi C

    2016-08-10

    We report the synthesis and characterization of the title anion which has a germanium/palladium cluster core of [Ge18Pd3] and six tri-isopropyl tin substituents. Its two Ge9-halves are the first examples of germanium deltahedra with three nonsilyl substituents, tri-isopropyl tin in this case. The new cluster is made by a reaction of an acetonitrile suspension of K4Ge9 with (i)Pr3SnCl that generates primarily tristannylated 9-atom clusters [Ge9{Sn(i)Pr3}3](-), followed by addition of Pd(PPh3)4 to the reaction mixture. It was structurally characterized by single-crystal X-ray diffraction in [K(222crypt)]2[Ge18Pd3{Sn(i)Pr3}6]·(i)Pr2O and was also confirmed in solution by ESI-MS and NMR. The new anion can be viewed both as a dimer of face-fused icosahedra (twinned icosahedron) with a common Pd3-face, i.e., [((i)Pr3Sn)3Ge9Pd3Ge9(Sn(i)Pr3)3](2-) that resembles but is not isoelectronic with the known borane version B21H18(-) or as a large hypho-deltahedron of 18 Ge-atoms with a triangle of Pd3 inside, i.e., [Pd3@Ge18(Sn(i)Pr3)6](2-). DFT calculations show a very large HOMO-LUMO gap of 2.42 eV.

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

    PubMed Central

    2011-01-01

    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. PMID:21711875

  8. 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.

  9. 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.

  10. Group-IV (Si, Ge, and Sn)-doped AgAlTe2 for intermediate band solar cell from first-principles study

    NASA Astrophysics Data System (ADS)

    Huang, Dan; Jiang, Jing-Wen; Guo, Jin; Zhao, Yu-Jun; Chen, Rongzhen; Persson, Clas

    2017-06-01

    Earlier studies of chalcopyrites as the absorber for intermediate band solar cells (IBSCs) mainly focused on Cu-based compounds, whose intermediate band is usually empty due to its intrinsic p-type conductivity. This is not beneficial to the two sub-bandgap absorptions. In this paper, we demonstrate that the intermediate bands in group IV (Si, Ge, and Sn) doped AgAlTe2 are delocalized and mainly contributed by the anti-bonding state of group-IV elements s state and Te-p state. Overall, we suggest that Sn-doped AgAlTe2 should be a promising absorber candidate for IBSCs based on the theoretical efficiency and defect stability.

  11. 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)

  12. 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.

  13. 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.

  14. 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.

  15. Synthesis, crystal structure, near-IR photoelectric response of two 1-D selenides: [Cu2MSe5]·[Mn(H+-en)2(en)] (M=Ge, Sn)

    NASA Astrophysics Data System (ADS)

    Zhang, Yingying; Hu, Dandan; Yang, Huajun; Lin, Jian; Wu, Tao

    2017-07-01

    Reported here are two solvothermally synthesized metal selenides, namely [Cu2MSe5][Mn(H+-en)2(en)] (M = Ge (1) and Sn (2), and en=ethanediamine). The two isostructural compounds feature a 1-D anionic chain of [Cu2MSe5]4- with the existence of strong Cu•••Cu interaction. The estimated optical band gap was determined to be 1.69 eV for 1 and 1.49 eV for 2, indicating their semiconducting nature. Interestingly, 2 exhibits NIR-triggered photoelectric response, which make it potential semiconductor sensor used in photoelectric devices.

  16. 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.

  17. Magnetic properties and origin of the half-metallicity of Ti2MnZ (Z=Al, Ga, In, Si, Ge, Sn) Heusler alloys with the Hg2CuTi-type structure

    NASA Astrophysics Data System (ADS)

    Fang, Qing-Long; Zhang, Jian-Min; Xu, Ke-Wei

    2014-01-01

    Using the first-principles calculations within density functional theory, we investigate the magnetic properties and electronic structures of the Ti2MnZ (Z=Al, Ga, In, Si, Ge, Sn) alloys with the Hg2CuTi-type structure. The Ti2MnZ (Z=Al, Ga, In, Si, Ge, Sn) are found to be half-metallic ferrimagnets. The total magnetic moments (µt) of the Ti2MnZ alloys are calculated to be 0 for Z=Al, Ga, In and 1 for Z=Si, Ge, Sn, linearly scaled with the total number of valence electrons (Zt) by µt=Zt-18. The origin of the band gap for these half-metallic alloys is well understood. We expect our results to trigger further experimental interest in these alloys.

  18. 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.

  19. Orbital hybridization and magnetic coupling of the A-site Cu spins in CaCu3B4O12 (B = Ti, Ge, and Sn) perovskites.

    PubMed

    Mizumaki, M; Saito, T; Shiraki, H; Shimakawa, Y

    2009-04-20

    X-ray absorption spectroscopy (XAS) spectra near the O K-edge of A-site-ordered perovskite with A-site Cu(2+) (S = (1)/(2)) spins were measured. The spectra of ferromagnetic CaCu(3)Ge(4)O(12) and CaCu(3)Sn(4)O(12) showed hybridization between Cu 3d and O 2p orbitals, but magnetic circular dichroism measurement revealed that the O 2p orbital played a less important role in magnetic interaction. The XAS spectra of antiferromagnetic CaCu(3)Ti(4)O(12), on the other hand, showed strong hybridization of the Cu 3d, Ti 3d, and O 2p orbitals. These results demonstrated that direct exchange interaction of the Cu(2+) spins primarily determined the ferromagnetic ordering of CaCu(3)Ge(4)O(12) and CaCu(3)Sn(4)O(12), whereas the involvement of Ti 3d orbitals induced the antiferromagnetic property in CaCu(3)Ti(4)O(12).

  20. 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.

  1. 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.

  2. On the structural diversity of [K(18-crown-6)EPh3] complexes (E = C, Si, Ge, Sn, Pb): synthesis, crystal structures and NOESY NMR study.

    PubMed

    Kleeberg, Christian

    2013-06-21

    A series of homologous potassium triphenylelement complexes [K(18-crown-6)EPh3] 6a-e of group 14 elements (E = C, Si, Ge, Sn, Pb) was synthesised by alkoxide induced heterolytic cleavage of boron-element compounds. The complexes 6a-e are isolated as storable solids possibly useful as sources of nucleophilic [EPh3](-) moieties. The solid state structures of 6a-e were established by X-ray crystal structure determination. Whilst all structures can be described as polymeric chains consisting of alternating [K(18-crown-6)](+) and [EPh3](-) units, the interaction within each chain varies systematically with the coordination properties of E. For Si and Ge, classical E-K coordination along with secondary phenyl-K interactions are characteristic, whilst for Sn and Pb, potassium coordination via the phenyl π-system is observed due to inefficient coordination by the free electron pair localised in an 'inert' s-orbital. The carbon derivative is exceptional as the central sp(2)-hybridised carbon atom gives rise to extensive charge delocalisation and coordination via these partially charged π-systems. A (1)H-(1)H NOESY NMR spectroscopic study in THF-d8 suggests appreciable anion/cation interactions for Si to Pb and hence the presence of contact ion pairs.

  3. Theoretical investigation of the mechanisms for the reaction of fused tricyclic dimetallenes containing highly strained E═E (E = C, Si, Ge, Sn, and Pb) double bonds.

    PubMed

    Li, Bo-Ying; Su, Ming-Der

    2012-04-26

    The potential energy surfaces for the reactions of fused tricyclic dimetallenes that feature a highly strained E═E double bond, Rea-E═E, where E = C, Si, Ge, Sn, and Pb, were studied using density functional theory (B3LYP/LANL2DZ). Three types of chemical reactions (i.e., a self-isomerization reaction, a [2 + 2] cycloaddition with a ketone and a methanol 1,2-addition reaction) were used to determine the reactivity of the Rea-E═E molecules. The theoretical findings reveal that the smaller the singlet-triplet splitting of the Rea-E═E, the lower are its activation barriers and, in turn, the more rapid are its chemical reactions with other chemical molecules. Theoretical observations suggest that the relative reactivity increases in the following order: C═C ≪ Si═Si < Ge═Ge < Sn═Sn < Pb═Pb. Namely, the smaller the atomic weight of the group 14 atom (E), the smaller is the atomic radius of E and the more stable is its fused tricyclic Rea-E═E to chemical reaction. It is thus predicted that the fused tricyclic Rea-C═C and Rea-Si═Si molecules should be stable and readily synthesized and isolated at room temperature. The computational results show good agreement with the available experimental observations. The theoretical results obtained from this work allow a number of predictions to be made.

  4. Tetrel-hydride interaction between XH₃F (X = C, Si, Ge, Sn) and HM (M = Li, Na, BeH, MgH).

    PubMed

    Li, Qing-Zhong; Zhuo, Hong-Ying; Li, Hai-Bei; Liu, Zhen-Bo; Li, Wen-Zuo; Cheng, Jian-Bo

    2015-03-19

    A tetrel-hydride interaction was predicted and characterized in the complexes of XH3F···HM (X = C, Si, Ge, Sn; M = Li, Na, BeH, MgH) at the MP2/aug-cc-pVTZ level, where XH3F and HM are treated as the Lewis acid and base, respectively. This new interaction was analyzed in terms of geometrical parameters, interaction energies, and spectroscopic characteristics of the complexes. The strength of the interaction is essentially related to the nature of X and M groups, with both the larger atomic number of X and the increased reactivity of M giving rise to a stronger tetrel-hydride interaction. The tetrel-hydride interaction exhibits similar substituent effects to that of dihydrogen bonds, where the electron-donating CH3 and Li groups in the metal hydride strengthen the binding interactions. NBO analyses demonstrate that both BD(H-M) → BD*(X-F) and BD(H-M) → BD*(X-H) orbital interactions play the stabilizing role in the formation of the complex XH3F···HM (X = C, Si, Ge, and Sn; M = Li, Na, BeH, and MgH). The major contribution to the total interaction energy is electrostatic energy for all of the complexes, even though the dispersion/polarization parts are nonnegligible for the weak/strong tetrel-hydride interaction, respectively.

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

    PubMed

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

    2017-06-14

    A microwave-induced plasma optical emission spectrometer with N2-based plasma was combined with a multimode sample introduction system (MSIS) for hydride generation (HG) and multielemental determination of As, Bi, Ge, Sb, and Sn in samples of forage, bovine liver, powdered milk, agricultural gypsum, rice, and mineral fertilizer, using a single condition of prereduction and reduction. The accuracy of the developed analytical method was evaluated using certified reference materials of water and mineral fertilizer, and recoveries ranged from 95 to 106%. Addition and recovery experiments were carried out, and the recoveries varied from 85 to 117% for all samples evaluated. The limits of detection for As, Bi, Ge, Sb, and Sn were 0.46, 0.09, 0.19, 0.46, and 5.2 μg/L, respectively, for liquid samples, and 0.18, 0.04, 0.08, 0.19, and 2.1 mg/kg, respectively, for solid samples. The method proposed offers a simple, fast, multielemental, and robust alternative for successful determination of all five analytes in agricultural samples with low operational cost without compromising analytical performance.

  6. 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.

  7. Growth and characterization of highly tensile strained Ge{sub 1−x}Sn{sub x} formed on relaxed In{sub y}Ga{sub 1−y}P buffer layers

    SciTech Connect

    Wang, Wei; D'Costa, Vijay Richard; Dong, Yuan; Liang, Gengchiau; Yeo, Yee-Chia; Loke, Wan Khai; Yoon, Soon Fatt; Yin, Tingting; Shen, Zexiang; Zhang, Zheng; Pan, Jisheng; Tok, Eng Soon

    2016-03-28

    Ge{sub 0.94}Sn{sub 0.06} films with high tensile strain were grown on strain-relaxed In{sub y}Ga{sub 1−y}P virtual substrates using solid-source molecular beam epitaxy. The in-plane tensile strain in the Ge{sub 0.94}Sn{sub 0.06} film was varied by changing the In mole fraction in In{sub x}Ga{sub 1−x}P buffer layer. The tensile strained Ge{sub 0.94}Sn{sub 0.06} films were investigated by transmission electron microscopy, x-ray diffraction, and Raman spectroscopy. An in-plane tensile strain of up to 1% in the Ge{sub 0.94}Sn{sub 0.06} was measured, which is much higher than that achieved using other buffer systems. Controlled thermal anneal experiment demonstrated that the strain was not relaxed for temperatures up to 500 °C. The band alignment of the tensile strained Ge{sub 0.94}Sn{sub 0.06} on In{sub 0.77}Ga{sub 0.23}P was obtained by high resolution x-ray photoelectron spectroscopy. The Ge{sub 0.94}Sn{sub 0.06}/In{sub 0.77}Ga{sub 0.23}P interface was found to be of the type I band alignment, with a valence band offset of 0.31 ± 0.12 eV and a conduction band offset of 0.74 ± 0.12 eV.

  8. Anomalous Hall effect and current spin polarization in Co2Fe X Heusler compounds (X =Al , Ga , In , Si , Ge , and Sn ): A systematic ab initio study

    NASA Astrophysics Data System (ADS)

    Huang, Hung-Lung; Tung, Jen-Chuan; Guo, Guang-Yu

    2015-04-01

    Co-based Heusler compounds are ferromagnetic with a high Curie temperature and a large magnetization density, and thus are promising for spintronic applications. In this paper, we perform a systematic ab initio study of two principal spin-related phenomena, namely, anomalous Hall effect and current spin polarization, in Co2-based Heusler compounds Co2Fe X (X =Al , Ga , In , Si , Ge , Sn ) in the cubic L2 1 structure within the density functional theory with the generalized gradient approximation (GGA). The accurate all-electron full-potential linearized augmented plane-wave method is used. First, we find that the spin polarization of the longitudinal current (PL) in Co2Fe X (X =Al , Ga , In , Al0.5Si0.5 , and Sn ) is ˜100 % even though that of the electronic states at the Fermi level (PD) is not. Further, the other compounds also have a high current spin polarization with PL>85 %. This indicates that all the Co2Fe X compounds considered are promising for spin-transport devices. Interestingly, PD is negative in Co2Fe X (X =Si , Ge , and Sn ), differing in sign from the PL as well as that from the transport experiments. Second, the calculated anomalous Hall conductivities (AHCs) are moderate, being within 200 S/cm, and agree well with the available experiments on a highly L2 1 ordered Co2FeSi specimen although they differ significantly from the reported experiments on other compounds where the B2 antisite disorders were present. Surprisingly, the AHC in Co2FeSi decreases and then changes sign when Si is replaced by Ge and finally by Sn. Third, the calculated total magnetic moments agree well with the corresponding experimental ones in all the studied compounds except Co2FeSi where a difference of 0.3 μB/f .u . exists. We also perform the GGA plus on-site Coulomb interaction U calculations in the GGA + U scheme. We find that including the U affects the calculated total magnetic moment, spin polarization and AHC significantly, and in most cases, unfortunately

  9. Elemental distribution and thermoelectric properties of layered tellurides 39R-M(0.067)Sb(0.667)Te(0.266) (M=Ge, Sn).

    PubMed

    Schneider, Matthias N; Fahrnbauer, Felix; Rosenthal, Tobias; Döblinger, Markus; Stiewe, Christian; Oeckler, Oliver

    2012-01-23

    The isostructural phases 39R-Ge(0.067)Sb(0.667)Te(0.266) (R3m, a=4.2649(1), c=75.061(2) Å) and 39R-Sn(0.067)Sb(0.667)Te(0.266) (R3m, a=4.2959(1), c=75.392(2) Å) were prepared by quenching stoichiometric melts of the pure elements and subsequent annealing at moderate temperatures. Their structures are comparable to "superlattices" synthesized by layer-by-layer deposition onto a substrate. These structures show no stacking disorder by electron microscopy. The structure of the metastable layered phases are similar to that of 39R-Sb(10)Te(3) (equivalent to Sb(0.769)Te(0.231)), which contains four A7 gray-arsenic-type layers of antimony alternating with Sb(2)Te(3) slabs. Joint refinements on single-crystal diffraction data using synchrotron radiation at several K edges were performed to enhance the scattering contrast. These refinements show that the elemental distributions at some atom positions are disordered whereas otherwise the structures are long-range ordered. The variation of the elemental concentration correlates with the variation in interatomic distance. Z-contrast scanning transmission electron microscopy (HAADF-STEM) on 39R-Ge(0.067)Sb(0.667)Te(0.266) confirms the presence of concentration gradients. The carrier-type of the isostructural metal (A7-type lamellae)-semiconductor heterostructures (Ge/Sn-doped Sb(2)Te(3) slabs) varies from n-type (Ge(0.067)Sb(0.667)Te(0.266)) to p-type (Sn(0.067)Sb(0.667)Te(0.266)). Although the absolute values of the Seebeck coefficient reached about 50-70 μV/K and the electrical conductivity is relatively high, the two isotypic phases exhibit a maximal thermoelectric figure of merit (ZT) of 0.06 at 400 °C as their thermal conductivity (κ≈8-9.5 W/mK at 400 °C) lies interestingly in between that of antimony and pure Sb(2)Te(3).

  10. Anomalous transport properties of the half-metallic ferromagnets Co₂TiSi, Co₂TiGe and Co₂TiSn.

    PubMed

    Barth, Joachim; Fecher, Gerhard H; Balke, Benjamin; Graf, Tanja; Shkabko, Andrey; Weidenkaff, Anke; Klaer, Peter; Kallmayer, Michael; Elmers, Hans-Joachim; Yoshikawa, Hideki; Ueda, Shigenori; Kobayashi, Keisuke; Felser, Claudia

    2011-09-28

    In this work, the theoretical and experimental investigations of Co₂TiZ (Z=Si, Ge or Sn) compounds are reported. Half-metallic ferromagnetism is predicted for all three compounds with only two bands crossing the Fermi energy in the majority channel. The magnetic moments fulfil the Slater-Pauling rule and the Curie temperatures are well above room temperature. All compounds show a metallic-like resistivity for low temperatures up to their Curie temperature, above the resistivity changes to semiconducting-like behaviour. A large negative magnetoresistance (MR) of 55 per cent is observed for Co₂TiSn at room temperature in an applied magnetic field of μ(0)H=4T, which is comparable to the large negative MRs of the manganites. The Seebeck coefficients are negative for all three compounds and reach their maximum values at their respective Curie temperatures and stay almost constant up to 950 K. The highest value achieved is -52 μVK(-1) for Co₂TiSn, which is large for a metal. The combination of half-metallicity and the constant large Seebeck coefficient over a wide temperature range makes these compounds interesting materials for thermoelectric applications and further spincaloric investigations.

  11. All-electron molecular Dirac-Hartree-Fock calculations - Properties of the XH4 and XH2 molecules and the reaction energy XH4 yields XH2 + H2, X = Si, Ge, Sn, Pb

    NASA Technical Reports Server (NTRS)

    Dyall, Kenneth G.

    1992-01-01

    Relativistic corrections to a number of properties of the Group IV hydrides are calculated using the Dirac-Hartree-Fock method. The use of first-order perturbation theory is sufficient to obtain relativistic corrections for Ge, but the effects of spin-orbit interaction and other higher-order effects begin to show for Sn and become important for Pb. The energy of the reaction XH4 yields XH2 + H2 (X = Si, Ge, Sn, and Pb) is also calculated. The results are compared with relativistic effective core potential calculations, first-order perturbation theory calculations, and limited experimental data.

  12. All-electron molecular Dirac-Hartree-Fock calculations - Properties of the XH4 and XH2 molecules and the reaction energy XH4 yields XH2 + H2, X = Si, Ge, Sn, Pb

    NASA Technical Reports Server (NTRS)

    Dyall, Kenneth G.

    1992-01-01

    Relativistic corrections to a number of properties of the Group IV hydrides are calculated using the Dirac-Hartree-Fock method. The use of first-order perturbation theory is sufficient to obtain relativistic corrections for Ge, but the effects of spin-orbit interaction and other higher-order effects begin to show for Sn and become important for Pb. The energy of the reaction XH4 yields XH2 + H2 (X = Si, Ge, Sn, and Pb) is also calculated. The results are compared with relativistic effective core potential calculations, first-order perturbation theory calculations, and limited experimental data.

  13. 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

  14. Syntheses and structural characterization of non-centrosymmetric Na{sub 2}M{sub 2}M'S{sub 6} (M, M′=Ga, In, Si, Ge, Sn, Zn, Cd) sulfides

    SciTech Connect

    Yohannan, Jinu P.; Vidyasagar, Kanamaluru

    2016-06-15

    Seven new non-centrosymmetric Na{sub 2}M{sub 2}M’S{sub 6} sulfides, namely, Na{sub 2}Sn{sub 2}ZnS{sub 6}(1){sub ,} Na{sub 2}Ga{sub 2}GeS{sub 6}(2), Na{sub 2}Ga{sub 2}SnS{sub 6}(3-α), Na{sub 2}Ga{sub 2}SnS{sub 6}(3-β){sub ,} Na{sub 2}Ge{sub 2}ZnS{sub 6}(4){sub ,} Na{sub 2}Ge{sub 2}CdS{sub 6}(5){sub ,} Na{sub 2}In{sub 2}SiS{sub 6}(6) and Na{sub 2}In{sub 2}GeS{sub 6}(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 [M{sub 2}M′S{sub 6}]{sup 2-}framework structures consist of MS{sub 4} and M′S{sub 4} 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 Li{sub 2}Ga{sub 2}GeS{sub 6}, whereas compounds 6 and 7 are isostructural with known Li{sub 2}In{sub 2}GeS{sub 6} 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. Na{sub 2}Ga{sub 2}GeS{sub 6}(2), Na{sub 2}Ga{sub 2}SnS{sub 6}(3), Na{sub 2}Ge{sub 2}ZnS{sub 6}(4) and Na{sub 2}In{sub 2}GeS{sub 6}(7) compounds are found to be second-harmonic generation (SHG) active. Compounds 1, 2 and 3-α melt congruently. - Graphical abstract: Na{sub 2}Ga{sub 2}GeS{sub 6}, Na{sub 2}Ga{sub 2}SnS{sub 6}, Na{sub 2}Ge{sub 2}ZnS{sub 6}, Na{sub 2}In{sub 2}GeS{sub 6}, Na{sub 2}Sn{sub 2}ZnS{sub 6}, Na{sub 2}Ge{sub 2}CdS{sub 6} and Na{sub 2}In{sub 2}SiS{sub 6} have non-centrosymmetric structures and the first four compounds are SHG active. Display Omitted - Highlights: • Seven new Na{sub 2}M{sub 2}M′S{sub 6} compounds with non-centrosymmetric structures were synthesized. • They are wide band gap semiconductors. • Na{sub 2}Ga{sub 2}GeS{sub 6}, Na{sub 2

  15. Low-frequency noise in Si 0.7Ge 0.3 surface channel pMOSFETs with ALD HfO 2/Al 2O 3 gate dielectrics

    NASA Astrophysics Data System (ADS)

    von Haartman, M.; Wu, D.; Malm, B. G.; Hellström, P.-E.; Zhang, S.-L.; Östling, M.

    2004-12-01

    Low-frequency noise was characterized in Si0.7Ge0.3 surface channel pMOSFETs with ALD Al2O3/HfO2/Al2O3 stacks as gate dielectrics. The influences of surface treatment prior to ALD processing and thickness of the Al2O3 layer at the channel interface were investigated. The noise was of the 1/f type and could be modeled as a sum of a Hooge mobility fluctuation noise component and a number fluctuation noise component. Mobility fluctuation noise dominated the 1/f noise in strong inversion, but the number fluctuation noise component, mainly originating from traps in HfO2, also contributed closer to threshold and in weak inversion. The number fluctuation noise component was negligibly small in a device with a 2 nm thick Al2O3 layer at the SiGe channel interface, which reduced the average 1/f noise by a factor of two and decreased the device-to-device variations.

  16. Intermetallic compounds of the heaviest elements and their homologs: the electronic structure and bonding of MM', where M=Ge, Sn, Pb, and element 114, and M'=Ni, Pd, Pt, Cu, Ag, Au, Sn, Pb, and element 114.

    PubMed

    Pershina, V; Anton, J; Fricke, B

    2007-10-07

    Fully relativistic (four-component) density-functional theory calculations were performed for intermetallic dimers MM', where M=Ge, Sn, Pb, and element 114, and MM'=group 10 elements (Ni, Pd, and Pt) and group 11 elements (Cu, Ag, and Au). PbM and 114M, where M are group 14 elements, were also considered. The results have shown that trends in spectroscopic properties-atomization energies D(e), vibrational frequencies omega(e), and bond lengths R(e), as a function of MM', are similar for compounds of Ge, Sn, Pb, and element 114, except for D(e) of PbNi and 114Ni. They were shown to be determined by trends in the energies and space distribution of the valence ns(MM')atomic orbitals (AOs). According to the results, element 114 should form the weakest bonding with Ni and Ag, while the strongest with Pt due to the largest involvement of the 5d(Pt) AOs. In turn, trends in the spectroscopic properties of MM' as a function of M were shown to be determined by the behavior of the np(1/2)(M) AOs. Overall, D(e) of the element 114 dimers are about 1 eV smaller and R(e) are about 0.2 a.u. larger than those of the corresponding Pb compounds. Such a decrease in bonding of the element 114 dimers is caused by the large SO splitting of the 7p orbitals and a decreasing contribution of the relativistically stabilized 7p(1/2)(114) AO. On the basis of the calculated D(e) for the dimers, adsorption enthalpies of element 114 on the corresponding metal surfaces were estimated: They were shown to be about 100-150 kJ/mol smaller than those of Pb.

  17. Intermetallic compounds of the heaviest elements and their homologs: The electronic structure and bonding of MM', where M =Ge, Sn, Pb, and element 114, and M'=Ni, Pd, Pt, Cu, Ag, Au, Sn, Pb, and element 114

    NASA Astrophysics Data System (ADS)

    Pershina, V.; Anton, J.; Fricke, B.

    2007-10-01

    Fully relativistic (four-component) density-functional theory calculations were performed for intermetallic dimers MM', where M =Ge, Sn, Pb, and element 114, and M'=group 10 elements (Ni, Pd, and Pt) and group 11 elements (Cu, Ag, and Au). PbM and 114M, where M are group 14 elements, were also considered. The results have shown that trends in spectroscopic properties—atomization energies De, vibrational frequencies ωe, and bond lengths Re, as a function of M', are similar for compounds of Ge, Sn, Pb, and element 114, except for De of PbNi and 114Ni. They were shown to be determined by trends in the energies and space distribution of the valence ns(M ') atomic orbitals (AOs). According to the results, element 114 should form the weakest bonding with Ni and Ag, while the strongest with Pt due to the largest involvement of the 5d(Pt) AOs. In turn, trends in the spectroscopic properties of MM' as a function of M were shown to be determined by the behavior of the np1/2(M ) AOs. Overall, De of the element 114 dimers are about 1eV smaller and Re are about 0.2a.u. larger than those of the corresponding Pb compounds. Such a decrease in bonding of the element 114 dimers is caused by the large SO splitting of the 7p orbitals and a decreasing contribution of the relativistically stabilized 7p1/2(114) AO. On the basis of the calculated De for the dimers, adsorption enthalpies of element 114 on the corresponding metal surfaces were estimated: They were shown to be about 100-150kJ/mol smaller than those of Pb.

  18. The study of bonding in pyramidanes [(Me3Si)4C4]E (E = Ge, Sn, Pb) by optical (Raman, UV-vis) spectroscopy and quantum-chemical methods

    NASA Astrophysics Data System (ADS)

    Leites, Larissa A.; Aysin, Rinat R.; Bukalov, Sergey S.; Lee, Vladimir Ya.; Sugasawa, Hakura; Sekiguchi, Akira

    2017-02-01

    The nature of the apex-base bonds in organometallics of a novel class - pyramidanes [(Me3Si)4C4]E (E = Ge, Sn, Pb) was shown to be covalent but with a high degree of polarity on the basis of the Raman data and the results of QTAIM analysis. NICS data suggest three-dimensional aromaticity of the C4E pyramid.

  19. 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.

  20. 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.

  1. 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.

    1993-01-01

    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.

  2. 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.

  3. The role of specific features of the electronic structure in electrical resistivity of band ferromagnets Co2Fe Z ( Z = Al, Si, Ga, Ge, In, Sn, Sb)

    NASA Astrophysics Data System (ADS)

    Kourov, N. I.; Marchenkov, V. V.; Perevozchikova, Yu. A.; Weber, H. W.

    2017-05-01

    The electrical resistivity ρ( T) of the band ferromagnets Co2FeZ (where Z = Al, Si, Ga, Ge, In, Sn, and Sb are s- and p-elements of Mendeleev's Periodic Table) has been investigated in the temperature range 4.2 K < T < 1100 K. It has been shown that the dependences ρ( T) of these alloys in a magnetically ordered state at temperatures T < T C are predominantly determined by the specific features of the electronic spectrum in the vicinity of the Fermi level. The processes of charge carrier scattering affect the behavior of the electrical resistivity ρ( T) only in the vicinity of the Curie temperature T C and above, as well as in the low-temperature range (at T ≪ T C).

  4. Electrophysical properties of (CdSe)/sub x/(Cu/sub 2/Ge(Sn)Se/sub 3/)/sub 1-x/

    SciTech Connect

    Dovletov, K.; Mkrtchyan, S.A.; Zhukov, E.G.; Melikdzhanyan, A.G.

    1987-10-01

    The temperature dependence of the electrical conductivity, Hall coefficient, thermo emf, and Hall mobility of the charge carriers in cadmium selenide and solid solutions based on it were studied for the temperature range 300-950/sup 0/K. The concentration of charge carriers increases with increase in the content of Cu/sub 2/GeSe/sub 3/ or Cu/sub 2/SnSe/sub 3/ at 300/sup 0/K, and this in turn leads to increased electrical conductivity in the solid solutions. The thermo emf and Hall mobility, however, decrease. The temperature dependence of the thermo emf, Hall coefficient, and Hall mobility in the solid solutions substantially differ from the analogous behavior in cadmium selenide.

  5. The excitation energies, ionization potentials, and oscillator strengths of neutral and ionized species of Uuq (Z=114) and the homolog elements Ge, Sn, and Pb.

    PubMed

    Yu, Y J; Dong, C Z; Li, J G; Fricke, B

    2008-03-28

    Multiconfiguration Dirac-Fock method is employed to calculate the excitation energies, ionization potentials, oscillator strengths, and radii for all neutral and up to four times ionized species of element Uuq, as well as the homolog elements Ge, Sn, and Pb. Using an extrapolative scheme, improved ionization potentials of Uuq were obtained with an uncertainty of less than 2000 cm(-1). Two relatively stronger resonance transitions are predicted for the element Uuq. In particular, the strongest line in Uuq, corresponding to the [6d(10)7s(2)7p(3/2)8s(1/2)](1)-->[6d(10)7s(2)7p(3/2)(2)](2) transition at 22 343 cm(-1), just lies in the prime energy region of experimental measurement.

  6. 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.

    1993-01-01

    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.

  7. Configuration interaction study including the effects of spin-orbit coupling for the electronic states of the LiX molecules (X = C, Si, Ge, Sn)

    NASA Astrophysics Data System (ADS)

    Rai-Constapel, Vidisha; Liebermann, Heinz-Peter; Alekseyev, Aleksey B.; Buenker, Robert J.

    2011-03-01

    Ab initio multireference configuration interaction calculations including spin-orbit coupling effects have been carried out for four LiX molecules (X = C, Si, Ge and Sn). Potential energy curves of the ground and low-lying excited states have been obtained in each case as well as the corresponding spectroscopic constants. Transition moments have also been computed in order to give estimates of the radiative lifetimes of the excited states for each system. Trends in a variety of quantities such as T e values, spin-orbit splittings, equilibrium bond lengths and vibrational frequencies for this series of molecules are discussed in detail and comparison with the corresponding data reported earlier for the PbLi system is also made.

  8. 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.

  9. Studies on the local structures and spin Hamiltonian parameters for the rhombic Nb4+ centers in MO2 (M = Sn, Ti and Ge) crystals

    NASA Astrophysics Data System (ADS)

    Zhang, Z.-H.; Wu, S.-Y.; Xu, P.; Li, L.-L.; Zhang, S.-X.

    2011-02-01

    The local structures and the spin Hamiltonian parameters for the substitutional Nb4+ centers in MO2 (M = Sn, Ti and Ge) crystals are theoretically studied using the perturbation formulas of these parameters for a 4d1 ion in a rhombically compressed octahedron. The above Nb4+ centers are found to experience the Jahn-Teller distortions, characteristic of the relative axial compressions (~ 0.01-0.02 Å) and the non-axial (planar) angular increases (~ 3°). As a result, the ligand octahedra are transformed from original elongation on host tetravalent cation sites to compression in the impurity centers, with additional non-axial distortions smaller than those in the hosts. The influences of the Jahn-Teller distortions and the ligand orbital contributions are also analyzed.

  10. DFT study of optoelectronic and magnetic properties of iron-containing diamond-like materials Ag2FeSiS4, Li2FeSnS4, and Li2FeGeS4

    NASA Astrophysics Data System (ADS)

    Azam, Sikander; Khan, Saleem Ayaz; Goumri-Said, Souraya

    2017-10-01

    Ag2FeSiS4, Li2FeSnS4, and Li2FeGeS4 have been studied by first-principles calculations within density functional theory (DFT) added to the Coulomb energy (U Hubbard term) to treat the strong correlation of Fe 3d electrons. All three materials have shown that their conduction band minimum (CBM) and valence band maximum (VBM) were situated at Γ point, indicating a direct band gap of 1.99 and 2.26 eV, 2.24 eV for Ag2FeSiS4, Li2FeSnS4, and Li2FeGeS4 respectively. The lower part of the valence band was dominated by S-s orbitals while the mid part were contributed mostly by Sn/Ge-s and Ag-d states. Hence, the VBM and CBM were mainly due to Fe-d states. The bonding characterization have shown a strong covalent bonding between the Fe-S, Ge-S, Sn-S, Ag-S and Si-S atoms. The imaginary part of the dielectric constant have revealed that the first optical critical point energy occurred at 1.2 eV for Ag2FeSiS4, and at 2.0 eV for Li2FeSnS4, and Li2FeGeS4 compounds leading them to absorb less of visible spectrum. The existence of iron in the composition of these compounds have induced magnetic properties that we explored by the calculation of the magnetic moment and spin-densities maps.

  11. Native defects in the Co2Ti Z (Z =Si ,Ge,Sn) full Heusler alloys: Formation and influence on the thermoelectric properties

    NASA Astrophysics Data System (ADS)

    Popescu, Voicu; Kratzer, Peter; Wimmer, Sebastian; Ebert, Hubert

    2017-08-01

    We have performed first-principles investigations on the native defects in the half-metallic, ferromagnetic full Heusler alloys Co2Ti Z (Z one of the group IV elements Si, Ge, Sn), determining their formation energies and how they influence the transport properties. We find that the Co vacancies (VcCo) and the TiSn as well as the CoZ or CoTi antisites exhibit the smallest formation energies. The most abundant native defects were modeled as dilute alloys, treated with the coherent potential approximation in combination with the multiple-scattering theory Green function approach. The self-consistent potentials determined this way were used to calculate the residual resistivity via the Kubo-Greenwood formula and, based on its energy dependence, the Seebeck coefficient of the systems. The latter is shown to depend significantly on the type of defect, leading to variations that are related to subtle, spin-orbit coupling induced changes in the electronic structure above the half-metallic gap. Two of the systems, VcCo and CoZ, are found to exhibit a negative Seebeck coefficient. This observation, together with their low formation energy, offers an explanation for the experimentally observed negative Seebeck coefficient of the Co2Ti Z compounds as being due to unintentionally created native defects.

  12. 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.

  13. 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.

  14. Scaled-up radiolabelling of DOTATATE with 68Ga eluted from a SnO2-based 68Ge/68Ga generator.

    PubMed

    Rossouw, Daniel D; Breeman, Wouter A P

    2012-01-01

    A scaled-up radiolabelling and improved post-labelling purification procedure for [(68)Ga]DOTATATE is reported, using a more than 1 year old SnO(2)-based 1850MBq (68)Ge/(68)Ga generator (initially double-loaded with 3700MBq (68)Ge) as a source of ionic (68)Ga. The elution method of choice comprised elution with 0.6M HCl in a single 4mL fraction, containing up to 95% of the total eluted (68)Ga activity. The unpurified fraction was directly used for labelling after pH adjustment with 2.5M sodium acetate. Labelling efficiencies were determined at 90-95°C at various reaction times and reaction volumes of up to 5.7mL, using either 30μg or 50μg DOTATATE. Only the latter amount resulted in consistently high labelling efficiency in excess of 95%. Post-labelling purification, carried out on Sep-Pak C18, showed that 50% ethanol in saline was a superior desorption eluant than 100% ethanol. The highest and most consistent decay-corrected radiochemical yields (89%) were obtained using 50μg DOTATATE and a 20min reaction time. Copyright © 2011 Elsevier Ltd. All rights reserved.

  15. Experimental formation of Pb, Sn, Ge and Sb sulfides, selenides and chlorides in the presence of sal ammoniac: A contribution to the understanding of the mineral formation processes in coal wastes self-burning

    NASA Astrophysics Data System (ADS)

    Laufek, František; Veselovsky, František; Drábek, Milan; Kříbek, Bohdan; Klementová, Mariana

    2017-04-01

    The formation of sulfides, selenides and chlorides was experimentally studied at 800 or 900°C in the presence of sal ammoniac in a sealed silica glass tube. Synthetic PbS, PbSe, SnS, GeS, SnGeS2, PbSnS3, SnS and Sb2S3 or natural uraninite were used as a starting charge. Depending on the chemical composition of the sulfide/selenide charge, galena, unnamed SnGeS3 phase, herzenbergite, berndite, ottenmannite, stibnite and unnamed SnSb2S4 and Sn2Sb3S6 phases were identified in sublimates, together with cotunnite and an unnamed (NH4)2SnCl6 phase. When natural uraninite in a mixture with sal ammoniac was used as a charge, the reaction product comprised abundant cotunnite and minor challacolloite due to volatilization of radiogenic lead. When sulfur was introduced to the charge with uraninite and sal ammoniac, galena was found in reaction products. The results of our experiments revealed that if sulfide or selenide phases and NH4Cl are placed in a thermal gradient, it is possible to accelerate their mobility through a process of hydrogen chloride vapor transport. Within the transport process, new solid products are either isochemical or non-isochemical. The isochemical composition of resulting phases with charge probably represents simple sublimation of the original solid phase in form of self-vapor. The non-isochemical phases are probably formed due to combination of sublimation and condensation of various gas components including gaseous HCl. The valency change of metals (e.g. Sn2+ to Sn3+) in several reaction products indicates redox reactions in the gas mixture or during the solidification of resulting products. The role of ammoniac is not clear; however, formation of unnamed (NH4)2SnCl6 compound identified in one of our experiment, indicate possible formation of ammonium complexes. In contrast to experiments where sulfides or selenides were used as a part of charge, mobility of uraninite was not proved under experimental conditions employed. It is consistent with an

  16. Direct ICP-MS determination of trace and ultratrace elements in geological materials after decomposition in a microwave oven. Part II. Quantitation of Ba, Cs, Ga, Hf, In, Mo, Nb, Pb, Rb, Sn, Sr, Ta and Tl.

    PubMed

    Gupta, J G; Bertrand, N B

    1995-12-01

    A new method has been developed for the rapid determination of traces of Ba, Cs, Ga, Hf, In, Mo, Nb, Pb, Rb, Sn, Sr, Ta and Tl in silicate rocks and lake, stream and river sediments. The method involved dissolution of samples in a microwave oven by heating in a pressure decomposition Teflon vessel with a mixture of HF + HNO(3) + HCl + H(3)BO(3) + EDTA followed by direct multielement determination using inductively coupled plasma-mass spectrometry (ICP MS ). The method is faster than conventional dissolution of samples by open vessel acid digestion and fusion and determination by instrumental methods. The accuracy and precision of the developed method were tested by replicate analyses of a number of international geochemical reference samples of established trace element contents. Satisfactory correlation with the "recommended" or "consensus" values was found and recoveries were in most cases 95-100%. New values for Ga, In, Nb and Tl in several international geochemical reference materials are first reported in this paper.

  17. 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.

  18. Secondary Periodicity in the Structural and Vibrational Characteristics of 3,3-DIMETHYLCYCLOPROPENES - and Monosubstituted by -X{(CH_3)}_3 (x = C, Si, Ge, Sn, Pb)

    NASA Astrophysics Data System (ADS)

    Panchenko, Yu. N.; Abramenkov, A. V.; de Maré, G. R.

    2009-06-01

    The regularities of changes in the structural parameters and vibrational wavenumbers have been traced for certain moieties of the title compounds. The optimized geometrical parameters and the force fields of disubstituted 3,3-dimethylcyclopropenes and monosubstituted 3,3-dimethylcyclopropenes were determined at the HF/3-21G* and DDAll levels, respectively. The choice of these theoretical levels was brought about by peculiarities of GAUSSIAN 03 suite of programs for Sn and Pb atoms. The theoretical vibrational wavenumbers were calculated from the corresponding scaled force fields. The regularities obtained in the form of the zigzag lines are analogous to regularities that are characteristic to the atoms of the 14 (IVA) group of the Mendeleyev Periodic Table. This is known as the secondary periodicity phenomenon. Yu. N. Panchenko, G. R. De Maré, A. V. Abramenkov, and A. de Meijere, Spectrochim. Acta 65A, 575 (2006). G. R. De Maré, Yu. N. Panchenko, and A. V. Abramenkov, Spectrochim. Acta 67A, 1094 (2007).

  19. The thermodynamic, electronic and magnetic properties of Ni2MnX (X=Ge, Sn, Sb) Heusler alloys: a quasi-hormonic Debye model and first principles study

    NASA Astrophysics Data System (ADS)

    Li, Jia; Zhang, Zhidong; Sun, Yubao; Zhang, Jian; Zhou, Guoxiang; Luo, Hongzhi; Liu, Guodong

    2013-01-01

    The thermodynamic, electronic and magnetic properties of Ni2MnX (X=Ge, Sn, Sb) Heusler alloys are investigated using the quasi-hormonic Debye model and the first principles calculation based on the density-functional-theory. The calculated results of the temperature dependent bulk modulus, coefficient of thermal expansion and the P-V relation for Ni2MnX (X=Ge, Sn, Sb) indicate that the bonding strength becomes stronger along the sequence of Ni2MnSb→Ni2MnSn→Ni2MnGe. The slower change trend of temperature dependent heat capacity of Ni2MnGe than that of Ni2MnSn and Ni2MnSb stems from the larger contribution of electronic heat capacity and smaller contribution of lattice heat capacity compared to the other two alloys. The ferromagnetic coupling order between the Ni and Mn is confirmed by our first principles calculations. The total moments in one primitive cell for the three alloys are all about 4.0 μB which are mainly carried by Mn atom with about 3.5 μB as can be seen from the magnetization density distribution.

  20. Structural perspective on the anomalous weak-field piezoelectric response at the polymorphic phase boundaries of (Ba ,Ca ) (Ti ,M ) O3 lead-free piezoelectrics (M =Zr , Sn, Hf)

    NASA Astrophysics Data System (ADS)

    Abebe, Mulualem; Brajesh, Kumar; Mishra, Anupam; Senyshyn, Anatoliy; Ranjan, Rajeev

    2017-07-01

    Although, as part of a general phenomenon, the piezoelectric response of Ba (T i1 -yMy ) O3 (M =Zr , Sn, Hf) increases in the vicinity of the orthorhombic (A m m 2 )-tetragonal (P 4 m m ) and orthorhombic (A m m 2 )-rhombohedral (R 3 m ) polymorphic phase boundaries, experiments in the last few years have shown that the same phase boundaries show significantly enhanced weak-field piezoproperties in the Ca-modified variants of these ferroelectric alloys, i.e., (Ba ,Ca ) (Ti ,M ) O3 . So far there is a lack of clarity with regard to the unique feature(s) which Ca modification brings about that enables this significant enhancement. Here, we examine this issue from a structural standpoint with M =Sn as a case study. We carried out a comprehensive comparative structural, ferroelectric, and piezoelectric analysis of the A m m 2 phase in the immediate vicinity of the P 4 m m -A m m 2 phase boundaries of (i) Ca-modified Ba (Ti ,Sn ) O3 , as per the nominal formula (1 -x ) BaT i0.88S n0.12O3-(x ) B a0.7C a0.3Ti O3 and (ii) without Ca modification, i.e., Ba (T i1 -yS ny ) O3 . We found that the spontaneous lattice strain of the A m m 2 phase is noticeably smaller in the Ca-modified counterpart. Interestingly, this happens along with an improved spontaneous polarization by enhancing the covalent character of the Ti-O bond. Our study suggests that the unique role of Ca modification lies in its ability to induce these seemingly contrasting features (reduction in spontaneous lattice strain but increase in polarization).

  1. 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

  2. D3h [A-CE3-A]- (E = Al and Ga, A = Si, Ge, Sn, and Pb): A new class of hexatomic mono-anionic species with trigonal bipyramidal carbon

    NASA Astrophysics Data System (ADS)

    Wu, Yan-Bo; Li, Yan-Qin; Bai, Hui; Lu, Hai-Gang; Li, Si-Dian; Zhai, Hua-Jin; Wang, Zhi-Xiang

    2014-03-01

    The non-classical trigonal bipyramidal carbon (TBPC) arrangement generally exists as transition states (TSs) in nucleophilic bimolecular substitution (SN2) 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)3-At]-) 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 D3h [A-CE3-A]- (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-CAl3-Ge]- and [Sn-CGa3-Sn]- even to be the global minima and [Si-CAl3-Si]- and [Ge-CGa3-Ge]- 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.

  3. Enhanced temperature stability and quality factor with Hf substitution for Sn and MnO2 doping of (Ba0.97Ca0.03)(Ti0.96Sn0.04)O3 lead-free piezoelectric ceramics with high Curie temperature

    NASA Astrophysics Data System (ADS)

    Tsai, Cheng-Che; Chao, Wei-Hsiang; Chu, Sheng-Yuan; Hong, Cheng-Shong; Weng, Chung-Ming; Su, Hsiu-Hsien

    2016-12-01

    In this work, the process of two-stage modifications for (Ba0.97Ca0.03)(Ti0.96Sn0.04-xHfx)O3 (BCTS4-100xH100x) ceramics was studied. The trade-off composition was obtained by Hf substitution for Sn and MnO2 doping (two-stage modification) which improves the temperature stability and piezoelectric properties. The phase structure ratio, microstructure, and dielectric, piezoelectric, ferroelectric, and temperature stability properties were systematically investigated. Results showed that BCTS4-100xH100x piezoelectric ceramics with x=0.035 had a relatively high Curie temperature (TC) of about 112 °C, a piezoelectric charge constant (d33) of 313 pC/N, an electromechanical coupling factor (kp) of 0.49, a mechanical quality factor (Qm) of 122, and a remnant polarization (Pr) of 19 μ C /cm2 . In addition, the temperature stability of the resonant frequency (fr), kp, and aging d33 could be tuned via Hf content. Good piezoelectric temperature stability (up to 110 °C) was found with x =0.035. BCTS0.5H3.5 + a mol% Mn (BCTSH + a Mn) piezoelectric ceramics with a = 2 had a high TC of about 123 °C, kp ˜ 0.39, d33 ˜ 230 pC/N, Qm ˜ 341, and high temperature stability due to the produced oxygen vacancies. This mechanism can be depicted using the complex impedance analysis associated with a valence compensation model on electric properties. Two-stage modification for lead-free (Ba0.97Ca0.03)(Ti0.96Sn0.04)O3 ceramics suitably adjusts the compositions for applications in piezoelectric motors and actuators.

  4. 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

  5. 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

    2017-03-01

    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

  6. Gas chromatography mass spectrometry study of hydrogen deuterium exchange reactions of volatile hydrides of As, Sb, Bi, Ge and Sn in aqueous media

    NASA Astrophysics Data System (ADS)

    D'Ulivo, Alessandro; Mester, Zoltan; Meija, Juris; Sturgeon, Ralph E.

    2006-07-01

    The H-D exchange processes in MH n or MD n hydrides (M = As, Sb, Bi, n = 3; M = Ge, Sn, n = 4) taking place when they are in contact with H 2O or D 2O solution at different pH or pD values (interval of pH = [0,13]) have been investigated using gas chromatography-mass spectrometry (GC-MS). MH n or MD n compounds were injected into the headspace of reaction vials (4-12 ml) containing 1-2 ml of buffered solution maintained under stirring or shaking conditions. The isotopic composition of the gaseous phase hydrides/deuterides was determined at regular intervals in the range of time 0-15 min. The MH n or MD n compounds were synthesized in separate vials and their purity was checked separately before injection into the reaction vials. The mass spectra were deconvoluted in order to estimate the relative abundance of each species formed following the H-D exchange process (AsH nD 3- n , SbH nD 3- n, BiH nD 3- n, n = 0-3; GeH nD 4- n, SnH nD 4- n, n = 0-4) and the relative abundance of H and D. In the investigated pH (or pD) interval arsanes and stibanes undergo H-D exchange in alkaline media for pH > 7. No H-D exchange was detected for the other hydrides, where the prevailing process is their decomposition in the aqueous phase. A reaction model, based on the formation of protonated or deprotonated intermediates is proposed for H-D exchange of MH n or MD n compounds placed in contact with H 2O or D 2O at different pH or pD values. The H-D exchange in the already formed hydrides can be source of the interference in mechanistic studies on hydride formation performed using labeled reagents; no H-D exchange was detected within the following pH intervals that can be considered free from interference: arsanes pH = [0,7), stibanes pH = [0,7), bismuthanes, germanes and stannanes pH = [0,13].

  7. 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.

  8. 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

  9. Synthesis, crystal structure, electronic structure and electrical conductivity of La3GeSb0.31Se7 and La3SnFe0.61Se7

    NASA Astrophysics Data System (ADS)

    Assoud, Abdeljalil; Sankar, Cheriyedath Raj; Kleinke, Holger

    2014-12-01

    The selenides La3EM1-xSe7 (La6E2M2-xSe14) adopt the Ce6Al3.33S14 structure type. La3GeSb0.31Se7 and La3SnFe0.61Se7 crystallize in the non-centrosymmetric space group P63 with La replacing Ce in the 6c site, E = Ge or Sn replacing Al in the 2b site and M = Fe or Sb replacing the other, deficient Al site (2a). The structure contains La atoms in square antiprisms of Se atoms, isolated distorted [ESe4] tetrahedra, and face sharing distorted [MSe6] octahedra forming a linear chain along the c-axis with short M-M distances. Band structure calculations predict semiconducting character with different gaps, which was demonstrated by electrical conductivity measurements and reflected in their different colors.

  10. Electronic structures and magnetism in the Li2AgSb-type Heusler alloys, Zr2CoZ (Z=Al, Ga, In, Si, Ge, Sn, Pb, Sb): A first-principles study

    NASA Astrophysics Data System (ADS)

    Wang, X. T.; Cui, Y. T.; Liu, X. F.; Liu, G. D.

    2015-11-01

    The electronic and magnetic properties of Zr2CoZ (Z=Al, Ga, In, Si, Ge, Sn, Pb, and Sb) alloys with a Li2AgSb-type structure were investigated systematically using the first-principle calculations. Zr2CoZ (Z=Al, Ga, In, Si, Ge, Sn, and Pb) alloys are predicted to be half-metallic ferromagnets at their equilibrium lattice constants. The Zr2Co-based alloys have Mt (the total magnetic moment per unit cell) and Zt (the valence concentration) values following Slater-Pauling rule of Mt=Zt-18. The effects of lattice constants on the electronic and the magnetic properties are discussed in detail. Moreover, all the alloys investigated in this paper have a negative formation energy, which implies that they are thermodynamically stable.

  11. Room-temperature magnetic topological Weyl fermion and nodal line semimetal states in half-metallic Heusler Co2TiX (X=Si, Ge, or Sn)

    NASA Astrophysics Data System (ADS)

    Chang, Guoqing; Xu, Su-Yang; Zheng, Hao; Singh, Bahadur; Hsu, Chuang-Han; Bian, Guang; Alidoust, Nasser; Belopolski, Ilya; Sanchez, Daniel S.; Zhang, Songtian; Lin, Hsin; Hasan, M. Zahid

    2016-12-01

    Topological semimetals (TSMs) including Weyl semimetals and nodal-line semimetals are expected to open the next frontier of condensed matter and materials science. Although the first inversion breaking Weyl semimetal was recently discovered in TaAs, its magnetic counterparts, i.e., the time-reversal breaking Weyl and nodal line semimetals, remain elusive. They are predicted to exhibit exotic properties distinct from the inversion breaking TSMs including TaAs. In this paper, we identify the magnetic topological semimetal states in the ferromagnetic half-metal compounds Co2TiX (X = Si, Ge, or Sn) with Curie temperatures higher than 350 K. Our first-principles band structure calculations show that, in the absence of spin-orbit coupling, Co2TiX features three topological nodal lines. The inclusion of spin-orbit coupling gives rise to Weyl nodes, whose momentum space locations can be controlled as a function of the magnetization direction. Our results not only open the door for the experimental realization of topological semimetal states in magnetic materials at room temperature, but also suggest potential applications such as unusual anomalous Hall effect in engineered monolayers of the Co2TiX compounds at high temperature.

  12. Full potential calculation of electronic properties of rutile RO 2 (R=Si, Ge, Sn and Pb) compounds via modified Becke Johnson potential

    NASA Astrophysics Data System (ADS)

    Singh, Hardev; Singh, Mukhtiyar; Kumar, Sarvesh; Kashyap, Manish K.

    2011-10-01

    The electronic properties of RO 2 (R=Si, Ge, Sn and Pb; a group IVA element) compounds in rutile structure have been calculated using WIEN2k implementation of full potential linearized augmented plane wave (FPLAPW) method. The exchange and correlation (XC) effects are taken into account by an orbital independent modified Becke Johnson (MBJ) potential as coupled with Local Density Approximation (LDA) for all the compounds except for PbO 2 where only Generalized Gradient Approximation (GGA) is considered for the same. We predict a direct band gap in all these compounds with continuous decrease as the atomic size of IVA element increases such that there is an appearance of semimetallic band structure for the last compound, PbO 2. The largest band gap (7.66 eV) has been found for SiO 2, which governs its insulating nature. We observe that MBJLDA results for band gaps of these compounds are far better than those obtained using GGA and Engel-Vosko's GGA (EV-GGA). A very good agreement is observed between MBJLDA band gaps with corresponding experimental values as compared to other calculations. The electronic band structures are also analyzed in terms of contributions from various electrons.

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

    NASA Astrophysics Data System (ADS)

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

    2015-03-01

    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 MT2 and MCh2 boundary phases are taken into account as well as ternary M3T2Ch2 and M2T3Ch3 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 NiAs2 type. Due to the good agreement with experimental data available for several PtTCh systems, the predictions for the residual systems are considered sufficiently accurate.

  14. 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

  15. Strong anisotropic anomalous Hall effect and spin Hall effect in the chiral antiferromagnetic compounds Mn3X (X =Ge , Sn, Ga, Ir, Rh, and Pt)

    NASA Astrophysics Data System (ADS)

    Zhang, Yang; Sun, Yan; Yang, Hao; Železný, Jakub; Parkin, Stuart P. P.; Felser, Claudia; Yan, Binghai

    2017-02-01

    We have carried out a comprehensive study of the intrinsic anomalous Hall effect and spin Hall effect of several chiral antiferromagnetic compounds Mn3X (X = Ge, Sn, Ga, Ir, Rh and Pt) by ab initio band structure and Berry phase calculations. These studies reveal large and anisotropic values of both the intrinsic anomalous Hall effect and spin Hall effect. The Mn3X materials exhibit a noncollinear antiferromagnetic order which, to avoid geometrical frustration, forms planes of Mn moments that are arranged in a Kagome-type lattice. With respect to these Kagome planes, we find that both the anomalous Hall conductivity (AHC) and the spin Hall conductivity (SHC) are quite anisotropic for any of these materials. Based on our calculations, we propose how to maximize AHC and SHC for different materials. The band structures and corresponding electron filling, that we show are essential to determine the AHC and SHC, are compared for these different compounds. We point out that Mn3Ga shows a large SHC of about 600 (ℏ /e ) (Ωcm) -1 . Our work provides insights into the realization of strong anomalous Hall effects and spin Hall effects in chiral antiferromagnetic materials.

  16. An assessment of DFT methods for predicting the thermochemistry of ion-molecule reactions of group 14 elements (Si, Ge, Sn).

    PubMed

    Ignatyev, Igor S; Montejo, Manuel; López González, Juan Jesús

    2013-12-01

    Experimental mass-spectrometry data on thermochemistry of methide transfer reactions (CH₃)₃M(+) + M'(CH₃)₄ ↔ M(CH₃)₄ + (CH₃)₃M'(+) (M, M' = Si, Ge or Sn) and the formation energy of the [(CH₃)₃Si-CH₃-Si(CH₃)₃](+) complex are used as benchmarks for DFT methods (B3LYP, BMK, M06L, and ωB97XD). G2 and G3 theory methods are also used for the prediction of thermochemical data. BMK, M06L, and ωB97XD methods give the best fit to experimental data (close to chemical accuracy) as well as to G2 and G3 results, while B3LYP demonstrates poor performance. From the first three methods M06L gives the best overall result. Structures and formation energies of intermediate "mixed" [(CH₃)₃M-CH₃- M'(CH₃)₃] complexes not observed in experiment are predicted. Their structures, better described as M(CH₃)₄ [M'(CH₃)₃](+) complexes, explain their fast decompositions.

  17. Room-temperature magnetic topological Weyl fermion and nodal line semimetal states in half-metallic Heusler Co2TiX (X=Si, Ge, or Sn)

    DOE PAGES

    Chang, Guoqing; Xu, Su -Yang; Zheng, Hao; ...

    2016-12-15

    Topological semimetals (TSMs) including Weyl semimetals and nodal-line semimetals are expected to open the next frontier of condensed matter and materials science. Although the first inversion breaking Weyl semimetal was recently discovered in TaAs, its magnetic counterparts, i.e., the time-reversal breaking Weyl and nodal line semimetals, remain elusive. They are predicted to exhibit exotic properties distinct from the inversion breaking TSMs including TaAs. In this paper, we identify the magnetic topological semimetal states in the ferromagnetic half-metal compounds Co2TiX (X = Si, Ge, or Sn) with Curie temperatures higher than 350 K. Our first-principles band structure calculations show that, inmore » the absence of spin-orbit coupling, Co2TiX features three topological nodal lines. The inclusion of spin-orbit coupling gives rise to Weyl nodes, whose momentum space locations can be controlled as a function of the magnetization direction. Lastly, our results not only open the door for the experimental realization of topological semimetal states in magnetic materials at room temperature, but also suggest potential applications such as unusual anomalous Hall effect in engineered monolayers of the Co2TiX compounds at high temperature.« less

  18. Group IVA Element (Si, Ge, Sn)-Based Alloying/Dealloying Anodes as Negative Electrodes for Full-Cell Lithium-Ion Batteries.

    PubMed

    Liu, Dequan; Liu, Zheng Jiao; Li, Xiuwan; Xie, Wenhe; Wang, Qi; Liu, Qiming; Fu, Yujun; He, Deyan

    2017-10-10

    To satisfy the increasing energy demands of portable electronics, electric vehicles, and miniaturized energy storage devices, improvements to lithium-ion batteries (LIBs) are required to provide higher energy/power densities and longer cycle lives. Group IVA element (Si, Ge, Sn)-based alloying/dealloying anodes are promising candidates for use as electrodes in next-generation LIBs owing to their extremely high gravimetric and volumetric capacities, low working voltages, and natural abundances. However, due to the violent volume changes that occur during lithium-ion insertion/extraction and the formation of an unstable solid electrolyte interface, the use of Group IVA element-based anodes in commercial LIBs is still a great challenge. Evaluating the electrochemical performance of an anode in a full-cell configuration is a key step in investigating the possible application of the active material in LIBs. In this regard, the recent progress and important approaches to overcoming and alleviating the drawbacks of Group IVA element-based anode materials are reviewed, such as the severe volume variations during cycling and the relatively brittle electrode/electrolyte interface in full-cell LIBs. Finally, perspectives and future challenges in achieving the practical application of Group IVA element-based anodes in high-energy and high-power-density LIB systems are proposed. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Room-temperature magnetic topological Weyl fermion and nodal line semimetal states in half-metallic Heusler Co2TiX (X=Si, Ge, or Sn)

    PubMed Central

    Chang, Guoqing; Xu, Su-Yang; Zheng, Hao; Singh, Bahadur; Hsu, Chuang-Han; Bian, Guang; Alidoust, Nasser; Belopolski, Ilya; Sanchez, Daniel S.; Zhang, Songtian; Lin, Hsin; Hasan, M. Zahid

    2016-01-01

    Topological semimetals (TSMs) including Weyl semimetals and nodal-line semimetals are expected to open the next frontier of condensed matter and materials science. Although the first inversion breaking Weyl semimetal was recently discovered in TaAs, its magnetic counterparts, i.e., the time-reversal breaking Weyl and nodal line semimetals, remain elusive. They are predicted to exhibit exotic properties distinct from the inversion breaking TSMs including TaAs. In this paper, we identify the magnetic topological semimetal states in the ferromagnetic half-metal compounds Co2TiX (X = Si, Ge, or Sn) with Curie temperatures higher than 350 K. Our first-principles band structure calculations show that, in the absence of spin-orbit coupling, Co2TiX features three topological nodal lines. The inclusion of spin-orbit coupling gives rise to Weyl nodes, whose momentum space locations can be controlled as a function of the magnetization direction. Our results not only open the door for the experimental realization of topological semimetal states in magnetic materials at room temperature, but also suggest potential applications such as unusual anomalous Hall effect in engineered monolayers of the Co2TiX compounds at high temperature. PMID:27974837

  20. Lifetimes and Oscillator Strengths for Ultraviolet Transitions Involving ns2nd 2D and nsnp2 2D terms in Pb II, Sn II, and Ge II

    NASA Astrophysics Data System (ADS)

    Federman, Steven Robert; Heidarian, Negar; Irving, Richard; Ellis, David; Ritchey, Adam M.; Cheng, Song; Curtis, Larry; Furman, Walter

    2017-06-01

    Radiative transitions of heavy elements are of great importance in astrophysics. Studying the transition rates and their corresponding oscillator strengths allows us to determine abundances of these heavy elements and therefore leads to better understanding of neutron capture processes. We provide the results of our studies on the transitions involving ns2nd 2D and nsnp2 2D terms to the ground term for Pb II, Sn II, and Ge II. These transitions are also of interest due to their strong mixing. Our studies involve experimental measurements performed at the Toledo Heavy Ion Accelerator and theoretical multi-configuration Dirac Hartree-Fock (MCDHF)1 calculations using the development version of the GRASP2K package2. The results are compared with Pb II lines seen in spectra acquired with the Hubble Space Telescope and with other values available in the literature. 1 P. Jönsson et al., The Computational Atomic Structure Group (2014).2 P. Jönsson et al., Comput. Phys. Commun. 184, 2197 (2013).

  1. Room-temperature magnetic topological Weyl fermion and nodal line semimetal states in half-metallic Heusler Co2TiX (X=Si, Ge, or Sn).

    PubMed

    Chang, Guoqing; Xu, Su-Yang; Zheng, Hao; Singh, Bahadur; Hsu, Chuang-Han; Bian, Guang; Alidoust, Nasser; Belopolski, Ilya; Sanchez, Daniel S; Zhang, Songtian; Lin, Hsin; Hasan, M Zahid

    2016-12-15

    Topological semimetals (TSMs) including Weyl semimetals and nodal-line semimetals are expected to open the next frontier of condensed matter and materials science. Although the first inversion breaking Weyl semimetal was recently discovered in TaAs, its magnetic counterparts, i.e., the time-reversal breaking Weyl and nodal line semimetals, remain elusive. They are predicted to exhibit exotic properties distinct from the inversion breaking TSMs including TaAs. In this paper, we identify the magnetic topological semimetal states in the ferromagnetic half-metal compounds Co2TiX (X = Si, Ge, or Sn) with Curie temperatures higher than 350 K. Our first-principles band structure calculations show that, in the absence of spin-orbit coupling, Co2TiX features three topological nodal lines. The inclusion of spin-orbit coupling gives rise to Weyl nodes, whose momentum space locations can be controlled as a function of the magnetization direction. Our results not only open the door for the experimental realization of topological semimetal states in magnetic materials at room temperature, but also suggest potential applications such as unusual anomalous Hall effect in engineered monolayers of the Co2TiX compounds at high temperature.

  2. 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.

  3. Nanostructured rocksalt-type solid solution series (Ge{sub 1−x}Sn{sub x}Te){sub n}Sb{sub 2}Te{sub 3} (n=4, 7, 12; 0≤x≤1): Thermal behavior and thermoelectric properties

    SciTech Connect

    Rosenthal, Tobias; Neudert, Lukas; Ganter, Pirmin; Boor, Johannes de; Stiewe, Christian; Oeckler, Oliver

    2014-07-01

    Solid solutions (Ge{sub 1−x}Sn{sub x}Te){sub n}Sb{sub 2}Te{sub 3} (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){sub n}Sb{sub 2}Te{sub 3} (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 (Ge{sub 0.5}Sn{sub 0.5}Te){sub 4}Sb{sub 2}Te{sub 3} as compared to (GeTe){sub 4}Sb{sub 2}Te{sub 3}. Sn doping in (GeTe){sub 7}Sb{sub 2}Te{sub 3} increases the ZT value by a factor of up to 4 which is also due to an increased Seebeck coefficient. - Graphical abstract: High-resolution transmission electron micrographs of (GeTe){sub 4}Sb{sub 2}Te{sub 3} (top) and (Ge{sub 0.5}Sn{sub 0.5}Te){sub 4}Sb{sub 2}Te{sub 3} (bottom) with different nanostructures and thermoelectric figures of merit (ZT) of these samples. - Highlights: • Representative samples of solid solutions of (Ge{sub 1−x}Sn{sub x}Te){sub n}Sb{sub 2}Te{sub 3} were synthesized. • Sn substitution leads to more pronounced nanostructures in defect-rich compounds. • Phase transitions are comparable to (GeTe){sub n}Sb{sub 2}Te{sub 3} but occur at lower temperatures

  4. 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.

  5. Micro-Raman scattering and dielectric investigations of phase transitions behavior in the PbHf0.7Sn0.3O3 single crystal

    NASA Astrophysics Data System (ADS)

    Jankowska-Sumara, Irena; Ko, Jae-Hyeon; Podgórna, Maria; Oh, Soo Han; Majchrowski, Andrzej

    2017-09-01

    Raman light scattering was used to detect the sequence of transitions in a PbHf1-xSnxO3 (PHS) single crystal with x = 0.30 in a temperature range of 77-873 K. Changes of Raman spectra were observed in the vicinity of structural phase transitions: between the antiferroelectric (AFE1)-antiferroelectric (AFE2)—intermediate—paraelectric phases. Light scattering and dielectric investigations were used to find out the nature and sequence of the phase transition, as well as the large dielectric permittivity values measured at the phase transition, by searching for the soft-phonon-mode behavior. The experimentally recorded spectra were analyzed in terms of the damped-harmonic oscillator model for the phonon bands. It is demonstrated that the structural phase transformations in PHS can be considered as the result of softening of many modes, not only the ferroelectric one. It was also proved that locally broken symmetry effects are present at temperatures far above the Curie temperature and are connected with the softening of two optic modes of different nature.

  6. 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

  7. 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}.

  8. 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.

  9. 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.

  10. All-electron molecular Dirac-Hartree-Fock calculations: The group 4 tetrahydrides CH4, SiH4, GeH4, SnH4 and PbH4

    NASA Technical Reports Server (NTRS)

    Dyall, Kenneth G.; Taylor, Peter R.; Faegri, Knut, Jr.; Partridge, Harry

    1990-01-01

    A basis-set-expansion Dirac-Hartree-Fock program for molecules is described. Bond lengths and harmonic frequencies are presented for the ground states of the group 4 tetrahydrides, CH4, SiH4, GeH4, SnH4, and PbH4. The results are compared with relativistic effective core potential (RECP) calculations, first-order perturbation theory (PT) calculations and with experimental data. The bond lengths are well predicted by first-order perturbation theory for all molecules, but non of the RECP's considered provides a consistent prediction. Perturbation theory overestimates the relativistic correction to the harmonic frequencies; the RECP calculations underestimate the correction.

  11. Conventional and stuffed Bergman-type phases in the Na-Au-T (T = Ga, Ge, Sn) systems: syntheses, structures, coloring of cluster centers, and Fermi sphere-brillouin zone interactions.

    PubMed

    Lin, Qisheng; Smetana, Volodymyr; Miller, Gordon J; Corbett, John D

    2012-08-20

    Bergman-type phases in the Na-Au-T (T = Ga, Ge, and Sn) systems were synthesized by solid-state means and structurally characterized by single-crystal X-ray diffraction studies. Two structurally related (1/1) Bergman phases were found in the Na-Au-Ga system: (a) a conventional Bergman-type (CB) structure, Na(26)Au(x)Ga(54-x), which features empty innermost icosahedra, as refined with x = 18.1 (3), Im3, a = 14.512(2) Å, and Z = 2; (b) a stuffed Bergman-type (SB) structure, Na(26)Au(y)Ga(55-y), which contains Ga-centered innermost icosahedra, as refined with y = 36.0 (1), Im3, a = 14.597(2) Å, and Z = 2. Although these two subtypes have considerable phase widths along with respective tie lines at Na ≈ 32.5 and 32.1 atom %, they do not merge into a continuous solid solution. Rather, a quasicrystalline phase close to the Au-poor CB phase and an orthorhombic derivative near the Au-rich SB phase lie between them. In contrast, only Au-rich SB phases exist in the Ge and Sn systems, in which the innermost icosahedra are centered by Au rather than Ge or Sn. These were refined for Na(26)Au(40.93(5))Ge(14.07(5)) (Im3, a = 14.581(2) Å, and Z = 2) and Na(26)Au(39.83(6))Sn(15.17(6)) (Im3, a = 15.009(2) Å, and Z = 2), respectively. Occupations of the centers of Bergman clusters are rare. Such centering and coloring correlate with the sizes of the neighboring icosahedra, the size ratios between electropositive and electronegative components, and the values of the average valence electron count per atom (e/a). Theoretical calculations revealed that all of these phases are Hume-Rothery phases, with evident pseudogaps in the density of states curves that arise from the interactions between Fermi surface and Brillouin zone boundaries corresponding to a strong diffraction intensity.

  12. All-electron molecular Dirac-Hartree-Fock calculations - The group IV tetrahydrides CH4, SiH4, GeH4, SnH4, and PbH4

    NASA Technical Reports Server (NTRS)

    Dyall, Kenneth G.; Taylor, Peter R.; Faegri, Knut, Jr.; Partridge, Harry

    1991-01-01

    A basis-set-expansion Dirac-Hartree-Fock program for molecules is described. Bond lengths and harmonic frequencies are presented for the ground states of the group 4 tetrahydrides, CH4, SiH4, GeH4, SnH4, and PbH4. The results are compared with relativistic effective core potential (RECP) calculations, first-order perturbation theory (PT) calculations and with experimental data. The bond lengths are well predicted by first-order perturbation theory for all molecules, but none of the RECP's considered provides a consistent prediction. Perturbation theory overestimates the relativistic correction to the harmonic frequencies; the RECP calculations underestimate the correction.

  13. All-electron molecular Dirac-Hartree-Fock calculations - The group IV tetrahydrides CH4, SiH4, GeH4, SnH4, and PbH4

    NASA Technical Reports Server (NTRS)

    Dyall, Kenneth G.; Taylor, Peter R.; Faegri, Knut, Jr.; Partridge, Harry

    1991-01-01

    A basis-set-expansion Dirac-Hartree-Fock program for molecules is described. Bond lengths and harmonic frequencies are presented for the ground states of the group 4 tetrahydrides, CH4, SiH4, GeH4, SnH4, and PbH4. The results are compared with relativistic effective core potential (RECP) calculations, first-order perturbation theory (PT) calculations and with experimental data. The bond lengths are well predicted by first-order perturbation theory for all molecules, but none of the RECP's considered provides a consistent prediction. Perturbation theory overestimates the relativistic correction to the harmonic frequencies; the RECP calculations underestimate the correction.

  14. Pseudo Jahn-Teller effect and natural bond orbital analysis of structural properties of tetrahydridodimetallenes M2H4, (M = Si, Ge, and Sn).

    PubMed

    Nori-Shargh, Davood; Mousavi, Seiedeh Negar; Boggs, James E

    2013-02-21

    The structural properties of ethene (1) and tetrahydridodimetallenes M(2)H(4) [M = Si (2), Ge (3), and Sn (4)] have been examined by means of CCSD(T)/Def2-TZVPP, MP4(SDTQ)/Def2-TZVPP, and B3LYP/Def2-TZVPP levels of theory and natural bond orbital analysis (NBO) interpretations. The results obtained showed the expected planar ground state structure for compound 1 (D(2h) symmetry) but trans-bent ground state structures for compounds 2-4 (C(2h) symmetry). The distortions of the high-symmetry configurations of compounds 2-4 are due to the pseudo Jahn-Teller effect (PJTE), which is the only source of instability of high-symmetry configurations in nondegenerate states. The distortions are due to the mixing of the ground A(g) and excited B(2g) states [i.e., HOMO(B(3u)) → LUMO + 3(B(1u)) for compound 1, HOMO(B(3u)) → LUMO + 2(B(1u)) for compound 2, and HOMO(B(3u)) → LUMO + 1(B(1u)) for compounds 3 and 4]. Importantly, the higher-lying B(1g), B(2u), and B(2g) states are not involved in the PJT interactions. The energy gaps between reference states (Δ) in the undistorted configurations decrease from compound 1 to compound 4, and the PJT stabilization energies increase. Therefore, the primary force constant of the ground state in the Q((b2g)) direction (K(0)) decreases from compound 1 to compound 4. This fact can be justified by the valence isoelectronic systems of these compounds (having similar vibronic coupling constants, F). For the purpose of more chemical transparency, the NBO results were analyzed, and their relation to the PJT interactions has been revealed. The NBO analysis showed that stabilization energy associated with π(M-H) (b(u)) → σ*(M═M) (b(u)) electron delocalization (i.e., the mixing of the distorted b(u) molecular orbitals along the b(2g) bending distortions) increases from compound 1 to compound 4. Also, by using the hybridized orbitals obtained, an n parameter is defined. The NBO results revealed that the n values in the mean hybrid orbitals

  15. 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

    2010-06-03

    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.

  16. Tunable electronic properties and low thermal conductivity in synthetic colusites Cu{sub 26−x}Zn{sub x}V{sub 2}M{sub 6}S{sub 32} (x ≤ 4, M = Ge, Sn)

    SciTech Connect

    Suekuni, K. Kim, F. S.; Takabatake, T.

    2014-08-14

    We have first synthesized Cu{sub 26−x}Zn{sub x}V{sub 2}M{sub 6}S{sub 32} (x ≤ 4, M = Ge, Sn) with the cubic colusite structure and measured the thermoelectric properties. For both M = Ge and Sn, the samples with x = 0 show moderately large thermopower of +27 μV/K at 300 K. The metallic conduction of p-type carriers and Pauli-paramagnetic behavior are consistent with the electron-deficient character expected from the formal charge Cu{sub 26}{sup 1+}V{sub 2}{sup 5+}M{sub 6}{sup 4+}S{sub 32}{sup 2−}. The substitution of Zn for Cu results in significant increases in both the electrical resistivity and thermopower. The resistivity of the samples with x = 4 displays a three-dimensional variable-range hopping behavior at low temperatures. These facts indicate that the doped electrons fill the unoccupied states in the valence band and thereby the Fermi level moves to the localized electronic states at the top of the band. The lattice thermal conductivity is as low as ∼1 W/Km at 300 K for all samples. The structural and thermoelectric properties of the colusites are discussed in comparison with those of doped tetrahedrite Cu{sub 12−x}Zn{sub x}Sb{sub 4}S{sub 13}.

  17. Ab initio CASSCF study of the electronic structure of the transition-metal alkylidene-like complexes Mo-M[prime]H[sub 2] (M[prime] = C, Si, Ge, and Sn)

    SciTech Connect

    Marquez, A.; Sanz, J.F. )

    1992-12-02

    Experimental and theoretical research on the electronic and geometric structure of transition-metal-carbenes and -alkylidenes is an active area in chemistry nowadays due to their potential activity in catalysis and in organic and organometallic synthesis. A theoretical investigation of the electronic structure of the high-valent, transition-metal, alkylidene-like complexes MoM[prime]H[sub 2] (M[prime] = C, Si, Ge, and Sn) is reported. Based on ab initio calculations carried out at the complete active space multiconfiguration self-consistent field (CASSCF) level, the molecular structure of the ground state and some low-lying excited states have been determined. For M[prime] = C, Si, and Ge, the ground state has C[sub 2v] symmetry (state [sup 5]B[sub 1]) and corresponds to pairing each electron of the M[prime]H[sub 2] triplet [sup 3]B[sub 1] with an electron of Mo ([sup 7]S). In the case of MoSnH[sub 2], the lowest state is bent (C[sub s] symmetry, state [sup 7]A[prime]), the out-of-plane angle being 68[degrees], and dissociates into SnH[sub 2] ([sup 1]A[sub 1]) + Mo ([sup 7]S). Dissociation energies, potential energy profiles for the dissociation, harmonic force constants in terms of internal symmetry coordinates, and vibrational frequencies are reported. The comparison of these properties with those of their pentacarbonylated homologous (CO)[sub 5]M[double bond]M[prime]H[sub 2] shows that the carbene-like (Fischer) type of complexation is stronger than the alkylidene-like one (Schrock). 28 refs., 4 figs., 6 tabs.

  18. The electronic band structure of Ge1-x Sn x in the full composition range: indirect, direct, and inverted gaps regimes, band offsets, and the Burstein-Moss effect

    NASA Astrophysics Data System (ADS)

    Polak, M. P.; Scharoch, P.; Kudrawiec, R.

    2017-05-01

    A comprehensive and detailed study of the composition dependence of lattice constants, band gaps and band offsets has been performed for bulk Ge1-x Sn x alloy in the full composition range using state-of-the-art density functional theory methods. A spectral weight approach to band unfolding has been applied as a means of distinguishing the indirect and direct band gaps from folded supercell band structures. In this way, four characteristic regions of the band gap character have been identified for Ge1-x Sn x alloy: an indirect band gap (x  <  6.5%), a direct band gap (6.5%  <  x  <  25%) and an inverse band gap (x  >  25%) with inverse spin-orbit split-off for 45%  <  x  <  85%. In general, it has been observed that the bowing parameters of band edges (Γ and L-point in conduction band (CBΓ and CB L ), valence band (VB), and spin-orbit (SO) band) are rather large ({{b}\\text{C{{\\text{B}} Γ }}}   =  2.43  ±  0.06 eV, {{b}\\text{C{{\\text{B}}L}}}   =  0.64  ±  0.04 eV, {{b}\\text{VB}}   =  -0.59  ±  0.04 eV, and {{b}\\text{SO}}   =  -0.49  ±  0.05 eV). This indicates that Ge1-x Sn x behaves like a highly mismatched group IV alloy. The composition dependence of lattice constant shows negligible bowing (b a   =  -0.083 Å). Obtained results have been compared with available experimental data. The origin of band gap reduction and large bowing has been analyzed and conclusions have been drawn regarding the relationship between experimental and theoretical results. It is shown that due to the low DOS at the Γ-point, a significant filling of CB by electrons in the direct gap regime may easily take place. Therefore, the Burstein-Moss effect should be considered when comparing experimental data with theoretical predictions as has already been shown for other intrinsic n-type narrow gap semiconductors (e.g. InN).

  19. Electronic structure of spinel-type nitride compounds Si3N4, Ge3N4, and Sn3N4 with tunable band gaps: application to light emitting diodes.

    PubMed

    Boyko, T D; Hunt, A; Zerr, A; Moewes, A

    2013-08-30

    In this Letter using experimental and theoretical methods, we show that the solid solutions of group 14 nitrides having spinel structure (γ-M3N4 where M=Si, Ge, Sn) exhibit mainly direct electronic band gaps with values that span the entire visible wavelength region, making these hard and thermally stable materials suitable for optoelectronic devices and, in particular, lighting applications. Using the simulated band structure, we also calculate the exciton binding energy. The combination of large exciton binding energies and the tunable electronic band gaps in the visible range makes these binary spinel nitrides and their solid solutions a new class of multifunctional materials with optoelectronic properties that can be engineered to suit the desired application.

  20. First principles electronic structure and magnetic properties of inverse Heusler alloys X2YZ(X=Cr; Y=Co, Ni; Z=Al, Ga, In, Si, Ge, Sn, Sb)

    NASA Astrophysics Data System (ADS)

    Mohanta, Susanta K.; Tao, Yongxue; Yan, Xiaoyan; Qin, Guanhua; Chandragiri, Venkatesh; Li, Xi; Jing, Chao; Cao, Shixun; Zhang, Jincang; Qiao, Zhenhua; Gu, Hui; Ren, Wei

    2017-05-01

    Using augmented plane wave+local orbital basis, we have calculated the electronic structure and magnetic properties of X2YZ (X=Cr; Y=Co and Ni; Z=Al, Ga, In, Si, Ge, Sn, Sb) inverse Heusler alloys from first principles. We employ the Hg2CuTi type L21 structure which indeed provides the low energy solution. The calculated total magnetic moments considered here follow the generalized Slater-Pauling behavior (Zt - 24) except Cr2NiSb, which shows (Zt - 28) instead. These materials show a systematic trend of ferrimagnetic Cr-Cr exchange interaction which increases with the number of valence electrons. The half-metallic and ferrimagnetic behaviors make them promising candidates for spintronic materials and devices.

  1. Magnetic properties and temperature-dependent half-metallicity of Co2Mn(Ga(1-x)Z(x)) (Z=Si, Ge, Sn) from first-principles calculation.

    PubMed

    Luo, Hu-Bin; Hu, Qing-Miao; Li, Chun-Mei; Johansson, Börje; Vitos, Levente; Yang, Rui

    2013-04-17

    Using the first-principles exact muffin-tin orbitals method in combination with the coherent potential approximation, we investigated the magnetic properties, exchange interactions, and temperature-dependent half-metallicity of the Co2Mn(Ga1-xZx) (Z=Si, Ge, Sn) alloys. The total magnetic moment follows perfectly a previously proposed Slater-Pauling relation, i.e., μ0 = Nt - 24, with Nt being the number of valence electrons. The Co-Mn and Co1-Co2 (inter-sublattice) interactions are dominated by direct exchange, whereas the Co1-Co1 (intra-sublattice) interaction is characterized by superexchange. The Mn-Mn exchange interaction in Co2MnGa is of long-ranged RKKY-type. However, the Mn-Mn exchange interactions in Co2MnZ are relatively localized and can be attributed to superexchange. The Co-Mn, Co1-Co2 and Co1-Co1 total exchange interactions increase with x, whereas the Mn-Mn total exchange interactions show convex behavior. The calculated Curie temperature (TC) increases with x. The ability of Z to enhance TC follows the sequence of Si > Ge > Sn, in agreement with the experimental findings. The temperature dependence of the spin polarization at the Fermi level [P(T)] is investigated based on the disordered local moment model. P(T) drops abruptly at temperatures much lower than TC. At temperatures higher than 200 K, the composition with higher TC generally corresponds to larger P(T).

  2. Quantifying hole mobility degradation in pMOSFETs with a strained-Si 0.7Ge 0.3 surface-channel under an ALD TiN/Al 2O 3/HfAlO x/Al 2O 3 gate stack

    NASA Astrophysics Data System (ADS)

    Persson, S.; Wu, D.; Hellström, P.-E.; Zhang, S.-L.; Östling, M.

    2004-05-01

    An appreciable mobility enhancement up to 35% is found in p-channel MOSFETs with a strained-Si 0.7Ge 0.3 surface-channel under an ALD TiN/Al 2O 3/HfAlO x/Al 2O 3 gate stack, as compared to a Si-channel reference transistor under an identical gate stack. A distorted effective mobility curve with a slow mobility roll-off at low vertical electric field is however extracted for the Si 0.7Ge 0.3 devices following the standard split- CV measurement procedure. A high density of interface traps on the order of 10 12 cm -2 eV -1 is found in these Si 0.7Ge 0.3 devices using charge-pumping measurements. Thus, this distortion is attributed partly to trapping of a significant fraction of the inversion carriers at the interface between the high- κ dielectrics and the Si 0.7Ge 0.3 channel, thus defeating the validity of the usual formulation for mobility extraction. By taking into account the trapped carriers that are detectable by the split- CV measurement but do not contribute to the drain conductance, a corrected effective mobility curve is obtained. The distortion of the effective mobility curve is nonetheless mainly due to mobility degradation as a result of Coulomb scattering of the mobile channel carriers by the charged interface defects, i.e. charged traps or trapped carriers that remain charged.

  3. Characterization of SnO2-based (68)Ge/ (68)Ga generators and (68)Ga-DOTATATE preparations: radionuclide purity, radiochemical yield and long-term constancy.

    PubMed

    Sudbrock, Ferdinand; Fischer, Thomas; Zimmermanns, Beate; Guliyev, Mehrab; Dietlein, Markus; Drzezga, Alexander; Schomäcker, Klaus

    2014-12-01

    With the increasing utilization of (68)Ge-(68)Ga radionuclide generators, (68)Ga labelled peptides like DOTATATE are receiving more attention in nuclear medicine. On the one hand, the long half-life of the parent nuclide (68)Ge is an enormous advantage for routine applications, but the question of the long-term stability of the (68)Ge breakthrough arises, which up to now has scarcely been investigated. A sum of 123 eluates from four different (68)Ge-(68)Ga generators (iThemba Labs, Faure, South Africa) and 115 samples of the prepared radiopharmaceutical (68)Ga-DOTATATE were measured first with a dose calibrator and again after decay of the eluted (68)Ga via gamma-ray spectrometry. A complete decay curve was recorded for one sample eluate. A further three eluates were eluted in ten fractions of 0.5 ml in order to obtain detailed information concerning the distribution of the two nuclides within the eluates. The influences of factors such as the amount of DOTATATE, addition of Fe(3+) salts and replacement of HEPES buffer with sodium acetate on the radiochemical synthesis were also tested. The content of long-lived (68)Ge breakthrough increases over the entire period of use to more than 100 ppm. The labelling process with the chelator DOTA removes (68)Ge efficiently. The maximum activity found in the residues of the radiopharmaceuticals investigated in this study was below 10 Bq in nearly all cases. In many cases (12% of the labelled substance), the long-lived parent nuclide could not be identified at all. The labelling process is still viable for reduced amounts of the chelator and with acetate buffer. Effective doses received by the patient from (68)Ge in the injected radiopharmaceutical (68)Ga-DOTATATE are lower than 0.1 μSv and are therefore practically negligible, especially when compared with the contribution of the PET radiopharmaceutical itself. Gamma-ray spectrometry as recommended by the European Pharmacopeia is suitable for quantification of

  4. MAX phase – Alumina composites via elemental and exchange reactions in the Ti{sub n+1}AC{sub n} systems (A=Al, Si, Ga, Ge, In and Sn)

    SciTech Connect

    Cuskelly, Dylan Richards, Erin; Kisi, Erich

    2016-05-15

    Extension of the aluminothermal exchange reaction synthesis of M{sub n+1}AX{sub n} phases to systems where the element ‘A’ is not the reducing agent was investigated in systems TiO{sub 2}–A–Al–C for A=Al, Si, Ga, Ge, In and Sn as well as Cr{sub 2}O{sub 3}–Ga–Al–C. MAX phase-Al{sub 2}O{sub 3} 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% Ti{sub 3}SiC{sub 2}. - Graphical abstract: A range of Ti{sub n+1}AX{sub n} phases with different A elements were synthesised directly from the M oxide via exchange reactions. The process has now been shown to be general in all the systems marked in green in the table. - Highlights: • Ti{sub n+1}AC{sub n} phases were produced via a single step exchange reaction. • 3 MAX phase systems were successful via this method for the first time. • Cr{sub 2}GeC was also able to be produced via an exchange reaction. • The interconversion reaction in MAX phases is more general than previously thought.

  5. Hydrogen Impurity Effects. A5Tt3 Intermetallic Compounds between A=Ca, Sr, Ba, Eu and Tt=Si, Ge, Sn with Cr 5B 3-like Structures that are Stable Both as Binary and as Ternary Hydride and Fluoride Phases

    NASA Astrophysics Data System (ADS)

    Leon-Escamilla, E. Alejandro; Corbett, John D.

    2001-06-01

    All of the binary systems Ca, Sr, Ba, or Eu (A) with Tt (tetrel)=Si or Ge as well as Sr-Sn form both binary Cr5B3-type A5Tt3 phases and the corresponding ternary hydrides with stuffed Cr5B3- (Ca5Sn3F-) type structures. All of those tested, Ca-Si, Ba-Si, Ca-Ge, also yield the isotypic A5Tt3Fx phases. The tetragonal structures of Ca5Si3, Ca5Si3F0.42, Sr5Si3, Eu5Si3Hx, Ca5Ge3, Ca5Ge3Hx, Ca5Ge3F0.66(I4/mcm, No. 140) and of Ba5Si3F0.16 (P4/ncc, Ba5Si3-type) were refined from single-crystal X-ray diffraction data. The interstitial H, F atoms are bound in a constricted tetrahedral (A2+)4 cavity in the Cr5B3-type heavy atom structure, which can be described ideally as (A2+)5(Tt2)6-(Tt)4-. Many of 14 previous reports of the phases reported here were apparently hydrides according to lattice constant differences or, for Sr5Si3, the fractional coordinates of Sr2 about the tetrahedral site. An articulated model is developed that allows description of the relationship between the dimensions of the tetrahedral interstitial site and the cation cavity about Tt2 and for some matrix effects in this structure type. The model suggests limitations on the stability of these binary A5Tt3 compounds for the heavier tetrels, as observed. The resistivities of Ca5Ge3 and Ca5Ge3Hx are both characteristic of poor metals, and Pauli-like magnetic susceptibilities are exhibited by Ca5Ge3, Ca5Ge3Hx, Ca5Ge3F0.66, Sr5Ge3, and Sr5Sn3. The characteristic ideal Tt6-2 dimers are evidently not realistic descriptions for these phases; rather at least some of the π*4 electrons in the dimers are delocalized in a conduction band. This effect appears to be greater in two europium salts. Bond lengths of dimers in the Ca-Si and Ca-Ge families appear to shorten slightly in three instances of their oxidation to form the hydride or the fluoride, as might be expected.

  6. Reaction Mechanism of the Symmetry-Forbidden [2+2] Addition of Ethylene and Acetylene to Amido-Substituted Digermynes and Distannynes Ph2N-EE-NPh2, (E = Ge, Sn): A Theoretical Study.

    PubMed

    Zhao, Lili; Jones, Cameron; Frenking, Gernot

    2015-08-24

    Quantum chemical calculations of reaction mechanisms for the formal [2+2] addition of ethylene and acetylene to the amido-substituted digermyne and distannyne Ph2N-EE-NPh2 (E = Ge, Sn) have been carried out by using density functional theory at the BP86/def2-TZVPP level. The nature and bonding situations were studied with the NBO method and with the charge and energy decomposition analysis EDA-NOCV. The addition of ethylene to Ph2N-EE-NPh2 takes place through an initial [2+1] addition to one metal atom and consecutive rearrangement to four-membered cyclic species, which feature a weak E-E bond. Rotation about the C-C bond with concomitant rupture of the E-E bond leads to the 1,2-disubstituted ethanes, which have terminal E(NPh2) groups. The overall reaction Ph2N-EE-NPh2+C2H4→(Ph2N)E-C2H4-E(NPh2) has very low activation barriers and is slightly exergonic for E = Ge but slightly endergonic for E = Sn. The analysis of the electronic structure shows that there is charge donation of nearly one electron to the ethylene moiety already in the first part of the reaction. The energy partitioning analysis suggests that the HOMO(Ph2N-EE-NPh2)→LUMO(C2H4) interaction has a similar strength as the HOMO(C2H4)→LUMO(Ph2N-EE-NPh2) interaction. The [2+2] addition of acetylene to Ph2N-EE-NPh2 also takes place through an initial [2+1] approach, which eventually leads to 1,2-disubstituted olefins (Ph2N)E-C2H2-E(NPh2). The formation of the energetically lowest lying conformations of cis-(Ph2N)E-C2H2-E(NPh2), which occurs with very low activation barriers, is clearly exergonic for the germanium and the tin compound. The trans-coordinated isomers of (Ph2N)E-C2H2-E(NPh2) are slightly lower in energy than the cis form but they are separated by a substantial energy barrier for the rotation about the C-C bond. The energy decomposition analysis indicates that the initial reaction takes place under formation of electron-sharing bonds between triplet fragments rather than HOMO

  7. 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

  8. Morphotropy, isomorphism, and polymorphism of Ln{sub 2}M{sub 2}O{sub 7}-based (Ln = La-Lu, Y, Sc; M = Ti, Zr, Hf, Sn) oxides

    SciTech Connect

    Shlyakhtina, A. V.

    2013-07-15

    Structural studies of compounds of variable composition and measurements of their conductivity have made it possible to identify new oxygen-ion-conducting rare-earth pyrochlores, Ln{sub 2}Ti{sub 2}O{sub 7} (Ln = Dy-Lu) and Ln{sub 2}Hf{sub 2}O{sub 7} (Ln = Eu, Gd), with intrinsic high-temperature oxygen ion conductivity (up to 1.4 Multiplication-Sign 10{sup -2} S/cm at 800 Degree-Sign C). Twenty six systems have been studied, and more than 50 phases based on the Ln{sub 2}M{sub 2}O{sub 7} (Ln= La-Lu; M = Ti, Zr, Hf) oxides have been synthesized and shown to be potential oxygen ion conductors. The morphotropy and polymorphism of the Ln{sub 2}M{sub 2}O{sub 7} (Ln = La-Lu; M = Ti, Zr, Hf) rare-earth pyrochlores have been analyzed in detail for the first time. Thermodynamic and kinetic (growth-related) phase transitions have been classified with application to the pyrochlore family.

  9. 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.

  10. Room-temperature magnetic topological Weyl fermion and nodal line semimetal states in half-metallic Heusler Co2TiX (X=Si, Ge, or Sn)

    SciTech Connect

    Chang, Guoqing; Xu, Su -Yang; Zheng, Hao; Singh, Bahadur; Hsu, Chuang -Han; Bian, Guang; Alidoust, Nasser; Belopolski, Ilya; Sanchez, Daniel S.; Zhang, Songtian; Lin, Hsin; Hasan, M. Zahid

    2016-12-15

    Topological semimetals (TSMs) including Weyl semimetals and nodal-line semimetals are expected to open the next frontier of condensed matter and materials science. Although the first inversion breaking Weyl semimetal was recently discovered in TaAs, its magnetic counterparts, i.e., the time-reversal breaking Weyl and nodal line semimetals, remain elusive. They are predicted to exhibit exotic properties distinct from the inversion breaking TSMs including TaAs. In this paper, we identify the magnetic topological semimetal states in the ferromagnetic half-metal compounds Co2TiX (X = Si, Ge, or Sn) with Curie temperatures higher than 350 K. Our first-principles band structure calculations show that, in the absence of spin-orbit coupling, Co2TiX features three topological nodal lines. The inclusion of spin-orbit coupling gives rise to Weyl nodes, whose momentum space locations can be controlled as a function of the magnetization direction. Lastly, our results not only open the door for the experimental realization of topological semimetal states in magnetic materials at room temperature, but also suggest potential applications such as unusual anomalous Hall effect in engineered monolayers of the Co2TiX compounds at high temperature.

  11. On the formation of smaller p-block endohedral fullerenes: Bonding analysis in the E@C20 (E = Si, Ge, Sn, Pb) series from relativistic DFT calculations.

    PubMed

    Muñoz-Castro, Alvaro; King, R Bruce

    2017-07-15

    Experimentally characterized endohedral metallofullerenes are of current interest in expanding the range of viable fullerenic structures and their applications. Smaller metallofullerenes, such as M@C28 , show that several d- and f-block elements can be efficiently confined in relatively small carbon cages. This article explores the potential capabilities of the smallest fullerene cage, that is, C20 , to encapsulate p-block elements from group 14, that is, E = Si, Ge, Sn, and Pb. Our interest relates to the bonding features and optical properties related to E@C20 . The results indicate both s- and p-type concentric bonds, in contrast to the well explored endohedral structures encapsulating f-block elements. Our results suggest the E@C20 series to be a new family of viable endohedral fullerenes. In addition spectroscopic properties related to electron affinity, optical, and vibrational were modeled to gain further information useful for characterization. Characteristic optical patterns were studied predicting a distinctive first peak located between 400 and 250 nm, which is red-shifted going to the heavier encapsulated Group 14 atoms. Electron affinity properties expose different patterns useful to differentiate the hollow C20 fullerene to the proposed p-block endohedral counterparts. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  12. Electronic and atomic structures of a Sn induced 3√{ 3} × 3√{ 3} superstructure on the Ag/Ge(111) √{ 3} ×√{ 3} surface

    NASA Astrophysics Data System (ADS)

    Sohail, Hafiz M.; Uhrberg, R. I. G.

    2016-02-01

    We have investigated sub-monolayer coverages of Sn on the Ag/Ge(111) √{ 3} ×√{ 3} surface. It was found that ≈ 0.45 monolayer (ML) resulted in a new, well-defined, reconstruction with a 3√{ 3} × 3√{ 3} periodicity. The periodic structure of the surface atoms was verified by low-energy electron diffraction and scanning tunneling microscopy. The electronic structure was studied in detail using angle-resolved photoelectron spectroscopy and core level spectroscopy at a temperature of 100 K. Several surface bands were identified and their dispersions are presented along the Γbar -Mbar -Γbar and Γbar -Kbar -Mbar high symmetry lines of the 3√{ 3} × 3√{ 3} surface Brillouin zone (SBZ). The 3√{ 3} × 3√{ 3} surface has a metallic character since there is a strong surface band crossing the Fermi level near Γbar points coinciding with Kbar points of the 1 × 1 SBZ. The Fermi contour of the metallic band showed a hexagonal shape in contrast to the circular shaped Fermi contour of the initial √{ 3} ×√{ 3} surface. Both empty and filled state STM images showed a hexagonal arrangement of protrusions with a local √{ 3} ×√{ 3} periodicity and a superimposed modulation of the apparent heights resulting in a 3√{ 3} × 3√{ 3} periodicity.

  13. Structure and vibrational dynamics of interfacial Sn layers in Sn/Si multilayers

    NASA Astrophysics Data System (ADS)

    Cuenya, B. Roldan; Keune, W.; Sturhahn, W.; Toellner, T. S.; Hu, M. Y.

    2001-12-01

    The structure and vibrational dynamics of room-temperature-grown nanoscale Sn/amorphous (a-)Si multilayers have been studied by x-ray diffraction, Raman scattering, 119Sn Mössbauer spectroscopy, and 119Sn nuclear-resonant inelastic x-ray scattering (NRIXS) of synchrotron radiation. With increasing Sn-layer thickness, the formation of β-Sn was observed, except at the Sn/Si interfaces, where a 10-Å-thick metastable pure amorphous-α-Sn-like layer remains stabilized. By means of NRIXS we have measured the Sn-projected vibrational density of states (VDOS) in these multilayers (in particular, at the interfaces), and in 500-Å-thick epitaxial α-Sn films on InSb(001) as a reference. Further, the Sn-specific Lamb-Mössbauer factor (f factor), mean kinetic energy per atom, mean atomic force constant, and vibrational entropy per atom were obtained. The VDOS of the amorphous-α-Sn-like interface layer is observed to be distinctly different from that of (bulk) α-Sn and β-Sn, and its prominent vibrational energies are found to scale with those of amorphous Ge and Si. The observed small difference in vibrational entropy (ΔS/kB=+0.17+/-0.05 per atom) between α-Sn and interfacial amorphous-α-like Sn does not account for the stability of the latter phase.

  14. 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.

  15. 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

    2016-01-04

    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.

  16. Epitaxial Growth of GeGaAs.

    DTIC Science & Technology

    1981-06-01

    liquid solvent for epitaxial growth of Ge. Because of the finite solubility of GaAs in Pb (7 x 10-4 atomic fraction at 500°C) relatively fast initial...mixture of Pb and Sn was used as a melt. The solubility of Ge in a PbSn eutetic mixture is significantly higher than the solubility of Ge in pure Pb...shallow donor acceptor levels. Addition of a deep level to the crystal lat- tice at this point would further pin the fermi level near mid-gap

  17. Dynamics of {sup 1}S{sub 0} diproton formation in the pd{yields}{l_brace}pp{r_brace}{sub s}n and pN{yields}{l_brace}pp{r_brace}{sub s}{pi} reactions in the GeV region

    SciTech Connect

    Uzikov, Yu. N.; Haidenbauer, J.; Wilkin, C.

    2007-01-15

    Mechanisms for the production of {sup 1}S{sub 0} diproton pairs, {l_brace}pp{r_brace}{sub s}, in the pd{yields}{l_brace}pp{r_brace}{sub s}n reaction are studied at proton beam energies 0.5-2 GeV in kinematics similar to those of backward elastic pd scattering. This reaction provides valuable information on the short-range NN and pd interactions that is complementary to that investigated in the well-known pd{yields}dp and dp{yields}p(0{sup degree})X processes. The pd{yields}{l_brace}pp{r_brace}{sub s}n reaction is related to the subprocesses {pi}{sup 0}d{yields}pn and pN{yields}{l_brace}pp{r_brace}{sub s}{pi} using two different one-pion-exchange (OPE) diagrams. Within both these models a reasonable agreement could be obtained with the data below 1 GeV. The similar energy dependence of the pd{yields}{l_brace}pp{r_brace}{sub s}n and pd{yields}dp cross sections and the small ratio of about 1.5% in the production of {l_brace}pp{r_brace}{sub s} to deuteron final states follow naturally within the OPE models.

  18. Large grain growth of Ge-rich Ge1-xSnx (x ≈ 0.02) on insulating surfaces using pulsed laser annealing in flowing water

    NASA Astrophysics Data System (ADS)

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

    2014-02-01

    We investigate Sn incorporation effects on the growth characteristics of Ge-rich Ge1-xSnx (x < 0.02) on SiO2 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 Ge0.98Sn0.02 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.

  19. Density functional study of S(N) 2 substitution reactions for CH(3) Cl + CX(1) X(2•-) (X(1) X(2) = HH, HF, HCl, HBr, HI, FF, ClCl, BrBr, and II).

    PubMed

    Liang, Jun-Xi; Geng, Zhi-Yuan; Wang, Yong-Cheng

    2012-03-05

    A systematic investigation on the S(N) 2 displacement reactions of nine carbene radical anions toward the substrate CH(3) Cl has been theoretically carried out using the popular density functional theory functional BHandHLYP level with different basis sets 6-31+G (d, p)/relativistic effective core potential (RECP), 6-311++G (d, p)/RECP, and aug-cc-pVTZ/RECP. The studied models are CX(1) X(2•-) + CH(3) Cl → X(2) X(1) CH(3) C(•) + Cl(-) , with CX(1) X(2•-) = CH(2) (•-) , CHF(•-) , CHCl(•-) , CHBr(•-) , CHI(•-) , CF(2) (•-) , CCl(2) (•-) , CBr(2) (•-) , and CI(2) (•-) . The main results are proposed as follows: (a) Based on natural bond orbital (NBO), proton affinity (PA), and ionization energy (IE) analysis, reactant CH(2) (•-) should be a strongest base among the anion-containing species (CX(1) X(2•-) ) and so more favorable nucleophile. (b) Regardless of frontside attacking pathway or backside one, the S(N) 2 reaction starts at an identical precomplex whose formation with no barrier. (c) The back-S(N) 2 pathway is much more preferred than the front-S(N) 2 one in terms of the energy gaps [ΔE cent≠(front)-ΔE cent≠(back)], steric demand, NBO population analysis. Thus, the back-S(N) 2 reaction was discussed in detail. On the one hand, based on the energy barriers (ΔE cent≠ and ΔE ovr≠) analysis, we have strongly affirmed that the stabilization of back attacking transition states (b-TSs) presents increase in the order: b-TS-CI(2) < b-TS-CBr(2) < b-TS-CCl(2) < b-TS-CHI < b-TS-CHBr < b-TS-CHCl < b-TS-CF(2) < b-TS-CHF < b-TS-CH(2) . On the other hand, depended on discussions of the correlations of ΔE ovr≠ with influence factors (PA, IE, bond order, and ΔE def≠), we have explored how and to what extent they affect the reactions. Moreover, we have predicted that the less size of substitution (α-atom) required for the gas-phase reaction with α-nucleophile is related to the α-effect and estimated that the reaction

  20. Advances in SiGeSn Technology

    DTIC Science & Technology

    2007-12-01

    components for use in photonic integrated circuits (PICs) and optoelectronic integrated circuits (OEICs). The PICs offer “seamless” monolithic integration ...of photonic components, while OEICs give seamless integration of electronics and photonics in the same Si chip. An important benefit of such ICs is...perspective to be introduced into CMOS fabrication for integrated optoelectronics. We believe that this development represents a breakthrough in Si

  1. 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

    2009-06-09

    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.

  2. Centrifugal stretching along the ground state band of Hf168

    NASA Astrophysics Data System (ADS)

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

    2009-02-01

    The lifetimes of the Jπ=4+, 6+, 8+, and 10+ levels along the ground state band in Hf168 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 Hf168 were populated using the Sn124(Ti48,4n) 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 Hf168. The data agree with the predictions from the geometrical confined β-soft (CBS) rotor model that involves centrifugal stretching in a soft potential.

  3. Pulsed inductive HF laser

    NASA Astrophysics Data System (ADS)

    Razhev, A. M.; Churkin, D. S.; Kargapol'tsev, E. S.; Demchuk, S. V.

    2016-03-01

    We report the results of experimentally investigated dependences of temporal, spectral and spatial characteristics of an inductive HF-laser generation on the pump conditions. Gas mixtures H2 - F2(NF3 or SF66) and He(Ne) - H2 - F2(NF3 or SF6) were used as active media. The FWHM pulse duration reached 0.42 μs. This value corresponded to a pulsed power of 45 kW. For the first time, the emission spectrum of an inductive HF laser was investigated, which consisted of seven groups of bands with centres around the wavelengths of 2732, 2736, 2739, 2835, 2837, 2893 and 2913 nm. The cross section profile of the laser beam was a ring with a diameter of about 20 mm and width of about 5 mm. Parameters of laser operation in the repetitively pulsed regime were sufficiently stable. The amplitude instability of light pulses was no greater than 5% - 6%.

  4. Modern HF Communications.

    DTIC Science & Technology

    1983-05-01

    AD-A131 163 MODERN HF COUNICATIONS(U) ADVISORY GROUP FOR AEROSPACE RESEARCH AND DEVELOPMENT NEUILLY-SUR-SEINE (FRANCE) d AARONS ET AL. MAY 83 AGARD...NORTH ATLANTIC TREATY ORGANIZATION ADVISORY GROUP FOR AEROSPACE RESEARCH AND DEVELOPMENT (ORGANISATION DU TRAITE DE L’ATLANTIQUE NORD) AGARD Lecture...other NATO bodies and to member nation-, in connection with research aind development problems in the aerospace field: Plros iding assistance to

  5. Investigation of Ge1-xSnx/Ge quantum-well structures as optical gain media

    NASA Astrophysics Data System (ADS)

    Sun, Li-Chou; Li, Hui; Cheng, H. H.; Chang, Guo-En

    2016-11-01

    An efficient Si-based laser is one of the most important components for photonic integrated circuits to break the bottleneck of data transport over optical networks. The main challenge is to create gain media based on group-IV semiconductors. Here we present an investigation of using low-dimensional Ge1-xSnx/Ge quantum-well (QW) structures pseudomorphically grown on Ge-buffered Si substrates as optical gain media for efficient Si-based lasers. Epitaxial growth of Ge1-xSnx/Ge QW structures on Ge-buffer Si substrate was carried out using low-temperature molecular beam epitaxy techniques. The light emission properties of the grown Ge1-xSnx/Ge QW structure were studied using photoluminescence spectroscopy, and clear redshifts of emission peaks were observed. Theoretical analysis of band structures indicates that Ge1-xSnx well sandwiched by Ge barriers can form type-I alignment at D point with a sufficient potential barrier height to confine carriers in the Ge1-xSnx well, thereby enhancing efficient electron-hole direct recombination. Our calculations also show that the energy difference between the lowest D-conduction subband and L conduction subband can be reduced with increasing Sn content, thereby enabling optical gain. These results suggest that Ge1-xSnx/Ge QW structures are promising for optical gain media to develop efficient Si-based light emitters.

  6. Ge(001) surface cleaning methods for device integration

    NASA Astrophysics Data System (ADS)

    Ponath, P.; Posadas, A. B.; Demkov, A. A.

    2017-06-01

    In recent years, research on Ge nanodevices has experienced a renaissance, as Ge is being considered a possible high mobility channel material replacement for Si MOSFET devices. However, for reliable high performance devices, an atomically flat and perfectly clean Ge surface is of utmost importance. In this review, the existing methods for cleaning the Ge(001) surface are reviewed and compared for the first time. The review discusses three broad categories of cleaning techniques that have been successfully demonstrated to obtain a clean Ge surface. First, the use of ultraviolet light and/or oxygen plasma is discussed. Both techniques remove carbon contamination from the Ge surface and simultaneously form an oxide passivation layer. Second, in situ ion sputtering in combination with germanium regrowth, which can lead to extremely clean and well-ordered Ge surfaces, is discussed. Finally, various wet-etching recipes are summarized, with focus on hydrofluoric acid (HF), NH4OH, and HCl. Despite the success of HF for Si surface preparation, it is demonstrated that in the case of Ge, HF is outperformed by other chemicals with respect to surface roughness, carbon and oxide removal efficiency. It is shown that several cleaning methods can lead to a perfectly clean Ge surface, but only a few methods can be considered for actual device integration due to their effectiveness, simplicity, and scaling ability.

  7. 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.

  8. Study of HfO2 films deposited on strained Si1-xGex layers by atomic layer deposition

    NASA Astrophysics Data System (ADS)

    Damlencourt, J.-F.; Weber, O.; Renault, O.; Hartmann, J.-M.; Poggi, C.; Ducroquet, F.; Billon, T.

    2004-11-01

    This paper focuses on the growth of HfO2 by atomic layer deposition (ALD) at 350°C on pseudomorphic Si1-xGex thin films (x =15% and 25%). Two different Si1-xGex surface preparations (chemical oxidation and HF "last" treatment) have been investigated to obtain the highest HfO2 film quality with the thinnest interfacial layer possible. The initial stages of the ALD growth on these different surfaces (i.e., hafnium adsorption and chlorine contamination) analyzed by total x-ray fluorescence show that HF last treated Si1-xGex surfaces are more convenient than chemically oxidized ones to grow high quality HfO2 layers. This result is confirmed by x-ray photoelectron spectroscopy investigations of the interfacial layer structure as a function of the surface treatment. As-deposited and annealed thin HfO2 layers (2.5, 3.5, 5, and 8nm) grown on HF last treated Si0.75Ge0.25 strained layers were analyzed by mercury probe. An equivalent oxide thickness as low as 0.7nm was obtained for a 2.5nm as-deposited HfO2 film. Mobility results show that a 22% mobility enhancement is obtained in the entire effective field range with HfO2/SiGe compared to the HfO2/Si reference.

  9. Development of Direct Band Gap Group IV Semiconductors with the Incorporation of Sn

    DTIC Science & Technology

    2012-03-01

    temperature GeSn/GeSiSn multi- quantum - well mid-infrared laser diode.” Opt. Express 18, 19957-19965 (2010). [4] Pseudomorphic growth of Ge1-xSnx thick...e rg y (e V ) B u lk G e G e S n (2 % ) a b s o rp tio n e d g e o f d ire c t b a n d o f G e S n List of Publications: [1] Local intermixing

  10. Quantum mechanical modeling for the GeX(2)/GeHX + GeH(4) reactions (X = H, F, Cl, and Br).

    PubMed

    Bundhun, Ashwini; Blowers, Paul; Ramasami, Ponnadurai; Schaefer, Henry F

    2010-04-01

    A systematic theoretical investigation was carried out to study the reactions of various germylenes with germane. Molecular structures of the reactants (GeX(2) and GeHX, where X = H, F, Cl and Br) plus GeH(4), transition states, and products have been optimized to understand the effects of halo-substituted germylenes. The basis set used is of double-zeta plus polarization quality with additional s- and p-type diffuse functions. Consistent with experiment, the theoretical gas-phase reaction GeH(2) + GeH(4) --> Ge(2)H(6) possesses a negative activation energy. The predicted activation energies reveal interesting trends for both mono- and di- halo-substituted germylenes, -1.5 [GeH(2)], +20.5 [GeHF], +59.9 [GeF(2)], +18.0 [GeHCl], +46.8 [GeCl(2)], +17.3 [GeHBr], and +42.9 kcal mol(-1) [GeBr(2)]. There is a noteworthy relationship between the activation energies and the singlet-triplet splittings of the divalent germylenes. We report for the first time rate constants for the transfer of hydrogen, evaluated using standard transition-state theory with tunneling corrections. These results are analyzed and compared to the available experimental and previous theoretical findings for the gas-phase reactions involving germylene derivatives and germanium analogues.

  11. Pulsed inductive HF laser

    SciTech Connect

    Razhev, A M; Kargapol'tsev, E S; Churkin, D S; Demchuk, S V

    2016-03-31

    We report the results of experimentally investigated dependences of temporal, spectral and spatial characteristics of an inductive HF-laser generation on the pump conditions. Gas mixtures H{sub 2} – F{sub 2}(NF{sub 3} or SF6{sub 6}) and He(Ne) – H{sub 2} – F{sub 2}(NF{sub 3} or SF{sub 6}) were used as active media. The FWHM pulse duration reached 0.42 μs. This value corresponded to a pulsed power of 45 kW. For the first time, the emission spectrum of an inductive HF laser was investigated, which consisted of seven groups of bands with centres around the wavelengths of 2732, 2736, 2739, 2835, 2837, 2893 and 2913 nm. The cross section profile of the laser beam was a ring with a diameter of about 20 mm and width of about 5 mm. Parameters of laser operation in the repetitively pulsed regime were sufficiently stable. The amplitude instability of light pulses was no greater than 5% – 6%. (lasers)

  12. A simple method for preparation of pure (68) Ga-acetate precursor for formulation of radiopharmaceuticals: Physicochemical characteristics of the (68) Ga eluate of the SnO2 based-(68) Ge/(68) Ga column generator.

    PubMed

    Chattopadhyay, Sankha; Alam, Md Neyar; Smita, Madhu; Kumar, Umesh; Das, Sujata Saha; Barua, Luna

    2017-01-01

    Gallium-68 radioisotope is an excellent source in clinical positron emission tomography application due to its ease of availability from germanium-68 ((68) Ge)/gallium-68 ((68) Ga) generator having a shelf life of 1 year. In this paper, a modified method for purification of the primary eluate of (68) Ge-(68) Ga generator by using a small cation exchange resin (Dowex-50) column has been described. The breakthrough of (68) Ge before and after purification of (68) Ga eluate was 0.014% and 0.00027%, respectively. The average recovery yield of (68) Ga after purification was 84% ± 8.6% (SD, n = 335). The results of the physiochemical studies confirmed that the (68) Ga-acetate obtained is suitable for labeling of radiopharmaceuticals. Copyright © 2016 John Wiley & Sons, Ltd.

  13. Structure and properties of RELiGe2 (RE = La-Nd, Sm-Gd, Yb) compounds

    NASA Astrophysics Data System (ADS)

    Iyer, Abishek K.; Subbarao, Udumula; Peter, Sebastian C.

    2013-02-01

    Single phase samples of RELiGe2 (RE = La-Nd, Sm-Gd, Yb) were synthesized in niobium tubes by high-frequency (HF) heating method. RELiGe2 compounds crystallize in the CaLiSi2 type structure, space group Pnma. LaLiGe2 is diamagnetic, while PrLiGe2, NdLiGe2, EuLiGe2, GdLiGe2 and YbLiGe2 follow Curie-Weiss behavior above 50 K. All compounds are metallic conductors with a specific resistivity at room temperature within the range of 250-900 μωcm.

  14. 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.

  15. 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.

  16. 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

    2014-12-02

    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.

  17. High-k perovskite gate oxide BaHfO3

    NASA Astrophysics Data System (ADS)

    Kim, Young Mo; Park, Chulkwon; Ha, Taewoo; Kim, Useong; Kim, Namwook; Shin, Juyeon; Kim, Youjung; Yu, Jaejun; Kim, Jae Hoon; Char, Kookrin

    2017-01-01

    We have investigated epitaxial BaHfO3 as a high-k perovskite dielectric. From x-ray diffraction measurement, we confirmed the epitaxial growth of BaHfO3 on BaSnO3 and MgO. We measured optical and dielectric properties of the BaHfO3 gate insulator; the optical bandgap, the dielectric constant, and the breakdown field. Furthermore, we fabricated a perovskite heterostructure field effect transistor using epitaxial BaHfO3 as a gate insulator and La-doped BaSnO3 as a channel layer on SrTiO3 substrate. To reduce the threading dislocations and enhance the electrical properties of the channel, an undoped BaSnO3 buffer layer was grown on SrTiO3 substrates before the channel layer deposition. The device exhibited a field effect mobility value of 52.7 cm2 V-1 s-1, a Ion/Ioff ratio higher than 107, and a subthreshold swing value of 0.80 V dec-1. We compare the device performances with those of other field effect transistors based on BaSnO3 channels and different gate oxides.

  18. Structure and magnetism in strained Ge1-x-ySnxMny films grown on Ge(001) by low temperature molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

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

    2013-07-01

    In this letter, we study the structural and magnetic properties of Ge1-x-ySnxMny 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 Ge1-x-ySnxMny layers is higher than in Ge1-xMnx films. This magnetic moment enhancement in Ge1-x-ySnxMny 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.

  19. Radiochemical neutron activation analysis for 36 elements in geological material: Au, Ag, Bi, Br, Cd, Cs, Ge, In, Ir, Ni, Os, Pd, Rb, Re, Sb, Se, Sn, Te, Tl, U, and Zn as well as Sc, Y, and REE

    SciTech Connect

    Anders, E; Wolf, R; Morgan, J W; Ebihara, M; Woodrow, A B; Janssens, M J; Hertogen, J

    1988-01-01

    In lunar and terrestrial rocks and in meteorites, the radiochemical neutron activation method decribed here enables determination of the 21 trace and ultratrace elements Ag, Au, Bi, Br, Cd, Cs, Ga, Ge, In, Ir, Ni, Os, Pd, Rb, Re, Sb, Se, Te, Tl, U, Zn, as well as 13 rare earth elements (REE), Sc and Y. Materials, techniques and procedures are discussed. 81 refs.

  20. HF mitigation via the Texaco-UOP HF additive technology

    SciTech Connect

    Sheckler, J.C.; Hammershaimb, H.U. ); Ross, L.J. ); Comey, K.R. III . Research and Development)

    1994-01-01

    Alkylation is one of the key processes used by refiners to produce high-octane gasoline. In the alkylation process, light olefins and isobutane are converted to alkylate, a high-octane, low-vapor-pressure, paraffinic gasoline-blending component. Because of its clean burning characteristics and ability to contribute to lower emissions, alkylate is a highly valued component in premium and reformulated gasolines. Alkylation process technology using hydrogen fluoride (HF) as a catalyst has been widely used for many years. Since the mid-1980s, a primary concern has been the tendency of HF to form an aerosol when HF is released to the atmosphere. Much effort has gone into the development of measures to ensure the safe handling of HF in the refinery environment. Texaco and UOP have under development an HF additive technology. The key to this technology is the discovery of a class of additives that form a complex with HF to significantly reduce the aerosol-forming tendency of the catalyst system and still maintain acceptable catalytic performance and product quality. The purpose of this paper is to provide an update on the development status of the Texaco-UOP HF additive technology. Aerosol reduction has been demonstrated in small-scale laboratory release tests as well as in larger scale wind tunnel release tests. The catalytic performance of the HF additive has been demonstrated in laboratory alkylation facilities and in a short-term experimental trial in a full-scale refinery unit. On the basis of the positive results obtained in the test program, a project is under way to implement the HF additive technology on a continuous basis in an existing Texaco alkylation unit by the third quarter of 1994.

  1. Synthesis and cyclic voltammetric studies of diiron complexes, ER2[(η5-C5H4)Fe(L2)Me]2 (E = C, Si, Ge, Sn; R = H, alkyl; L2 = diphosphine] and (η5-C5H5)Fe(L2)ER2Fc [Fc = (η5-C5H4)Fe(η5-C5H5)

    PubMed Central

    Kumar, Mukesh; Cervantes-Lee, Francisco; Pannell, Keith H.; Shao, Jianguo

    2009-01-01

    Summary The cyclic voltammetric studies on ER2[(η5-C5H4)Fe(L2)Me]2 (L2 = dppe; ER2 = CH2 (1a), SiMe2 (2a), GeMe2 (3a), SnMe2 (4a) revealed two well resolved reversible waves [1E1/2 = -0.33 V, 2E1/2 = -0.20 V (for 1a); 1E1/2 = -0.35 V, 2E1/2 = -0.21 V (for 2a);1E1/2 = -0.36 V, 2E1/2 = -0.23 V (for 3a);1E1/2 = -0.36 V, 2E1/2 = -0.22 V (for 4a)] in CH2Cl2 suggesting electronic communication between two iron centers which is seen for the first time in this family of organometallic complexes. The resolution between two reversible waves increases in the order of 1a < 2a < 3a < 4a; however, coordinating solvents such as pyridine, PhCN, DMSO and DMF decreased these interactions attributable to the stabilization of cationic species formed after the first oxidation. UV/Vis spectroelectrochemistry of 1a-4a revealed two distinct absorbance patterns for both redox processes and reflected the stepwise oxidation. Homobimetallic complexes containing ferrocenyl groups, (η5-C5H5)Fe(L2)ER2Fc [ER2 = none, L2 = cis-dppen (5a), ER2 = SiMe2, L2 = cis-dppen (6a), dppm (6b); ER2 = GeMe2, L2 = cis-dppen (7a), dppm (7b); ER2 = SntBu2, L2 = dmpe (8a); Fc = (η5-C5H4)Fe(η54-C5H5)] were prepared and studied in terms of electrochemistry. The cyclic voltammogram of 5a exhibited two well resolved one electron reversible waves at 1E1/2 = -0.21 V and 2E1/2 = 0.58 V corresponding to oxidation of the Fe(P-P) and Fc iron atoms respectively. Other complexes in this series (6a/6b, 7a/7b, 8a) containing direct Fe-E-Fc (E = Si, Ge and Sn) bridging units were not stable under electrochemical conditions and rupture of the Fe-E bonds was observed. PMID:19718238

  2. Emission characteristics of self-assembled strained Ge1-xSnx islands for sources in the optical communication region.

    PubMed

    Bar, Rajshekhar; Katiyar, Ajit K; Aluguri, Rakesh; Ray, S K

    2017-07-21

    Self-assembled strained Ge1-x Sn x islands on Si (100) have been grown at a low temperature using molecular beam epitaxy. The in-built strain and fraction of Sn in the islands have been estimated using x-ray photoelectron spectroscopy and high resolution x-ray diffraction study of grown samples. No-phonon assisted transition in the optical communication wavelength range of 1.4-1.8 μm has been observed in the Ge1-x Sn x island samples. The direct band gap transition intensity is found to increase with a growth in Sn concentration, with this increase in intensity sustained up to a temperature of 130 K in Ge1-x Sn x islands. The observed electroluminescence in p-i-n devices fabricated on Ge1-x Sn x island samples above a threshold bias of 4 V makes them attractive for future Si based optical devices.

  3. Emission characteristics of self-assembled strained Ge1-xSnx islands for sources in the optical communication region

    NASA Astrophysics Data System (ADS)

    Bar, Rajshekhar; Katiyar, Ajit K.; Aluguri, Rakesh; Ray, S. K.

    2017-07-01

    Self-assembled strained Ge1-x Sn x islands on Si (100) have been grown at a low temperature using molecular beam epitaxy. The in-built strain and fraction of Sn in the islands have been estimated using x-ray photoelectron spectroscopy and high resolution x-ray diffraction study of grown samples. No-phonon assisted transition in the optical communication wavelength range of 1.4-1.8 μm has been observed in the Ge1-x Sn x island samples. The direct band gap transition intensity is found to increase with a growth in Sn concentration, with this increase in intensity sustained up to a temperature of 130 K in Ge1-x Sn x islands. The observed electroluminescence in p-i-n devices fabricated on Ge1-x Sn x island samples above a threshold bias of 4 V makes them attractive for future Si based optical devices.

  4. Marburg Hemorrhagic Fever (Marburg HF)

    MedlinePlus

    ... The CDC Cancel Submit Search The CDC Marburg hemorrhagic fever (Marburg HF) Note: Javascript is disabled or is ... was first recognized in 1967, when outbreaks of hemorrhagic fever occurred simultaneously in laboratories in Marburg and Frankfurt, ...

  5. Stark shift of the absorption spectra in Ge/Ge1-xSnx/Ge type-I single QW cell for mid-wavelength infra-red modulators

    NASA Astrophysics Data System (ADS)

    Yahyaoui, N.; Sfina, N.; Lazzari, J.-L.; Bournel, A.; Said, M.

    2015-09-01

    For mid-wavelength infra-red (MWIR) modulation or detection applications, we propose α-Sn rich Ge/Ge1-xSnx/Ge a type-I single quantum wells (SQW) partially strain compensated on Ge1-ySny relaxed layers grown onto (0 0 1)-oriented Ge substrate. Such elementary cells with W-like potential profiles of conduction and valence bands have been modeled by solving the one-dimensional Schrödinger equation under an applied external electrical field. First, strain effects on electrons, heavy holes (hh) and light holes (lh) energy bands for strained/relaxed Ge1-xSnx/Ge1-ySny heterointerfaces are investigated using the model-solid theory in the whole ranges (0 ⩽ x, y ⩽ 1) of Sn compositions. From the obtained band-discontinuities, band gaps and effective masses, Ge1-ySny/Ge/Ge0.80Sn0.20/Ge/Ge1-ySny cells are computed as a function of the Ge0.80Sn0.20 well width for three compositions of the Ge1-ySny buffer layer (y = 0.05, 0.07 and 0.09) in order to get the optimum quantum confinement of electrons and holes levels while keeping a reasonable amount of averaged strain in the cell. The electric field effect on the absorption spectra is given. An absorption coefficient in the 6× to 3 × 103 cm-1 range is reasonably obtained for a SQW at room temperature with a rather large Stark shift of the direct transition between 0.46 and 0.38 eV (i.e., λ = 3.26-2.70 μm) at large external fields (50 kV/cm). These characteristics are attractive for the design of MWIR optical modulators.

  6. Ge1-xSnx alloys synthesized by ion implantation and pulsed laser melting

    NASA Astrophysics Data System (ADS)

    Gao, Kun; Prucnal, S.; Huebner, R.; Baehtz, C.; Skorupa, I.; Wang, Yutian; Skorupa, W.; Helm, M.; Zhou, Shengqiang

    2014-07-01

    The tunable bandgap and the high carrier mobility of Ge1-xSnx alloys stimulate a large effort for bandgap and strain engineering for Ge based materials using silicon compatible technology. In this Letter, we present the fabrication of highly mismatched Ge1-xSnx alloys by ion implantation and pulsed laser melting with Sn concentration ranging from 0.5 at. % up to 1.5 at. %. According to the structural investigations, the formed Ge1-xSnx alloys are monocrystalline with high Sn-incorporation rate. The shrinkage of the bandgap of Ge1-xSnx alloys with increasing Sn content is proven by the red-shift of the E1 and E1 + Δ1 critical points in spectroscopic ellipsometry. Our investigation provides a chip technology compatible route to prepare high quality monocrystalline Ge1-xSnx alloys.

  7. Ge/SiGe for silicon photonics

    NASA Astrophysics Data System (ADS)

    Ishikawa, Yasuhiko

    2017-01-01

    Near-infrared Ge photonic devices on a Si platform are presented toward low-cost, low-energy and high-capacity optical communications. Using Ge epitaxial layers selectively grown by chemical vapor deposition on Si-on-insulator layers, Ge photodiodes (PDs) of vertical pin structures are integrated with Si optical waveguides. The integrated Ge PDs show high responsivities as large as 0.8 A/W at 1.55 μm with the 3-dB cutoff frequency more than 10 GHz. SiGe/Ge heterostructures have potential applications to higher-performance devices. One application is to low-noise and low-voltage avalanche photodiodes (APDs), where a SiGe layer is inserted at the interface between the optical absorption layer of Ge and the carrier-multiplication layer of Si or Ge. The band discontinuity at the interface enhances the impact ionization for photo-generated carriers injected via SiGe. Fabricated APDs show an enhanced multiplication gain. The other application of SiGe is to a stressor to control the direct bandgap of Ge. As a proof of concept, a tensile-strained Si0.2Ge0.8 overlayer is shown to induce a compressive stress in the underlying Ge mesa stripe, leading to a blue shift in the absorption edge of Ge.

  8. 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}.

  9. Unusual ground states in R5T4X10 (R = rare earth; T = Rh, Ir; and X = Si, Ge, Sn) : a review.

    PubMed

    Ramakrishnan, Srinivasan; Van Smaalen, Sander

    2017-07-04

    Rare earth compounds of the type <i>R</i><sub>5</sub><i>T</i><sub>4</sub><i>X</i><sub>10</sub> (<i>R</i> = rare earth; <i>T</i> = Rh, Ir, and <i>X</i> = Si, Ge, Sn) display a variety of phase transitions towards exotic states, including charge density waves (CDW), local moment magnetism, antiferromagnetism in the heavy fermion state, superconductivity and giant positive magnetoresistance. They support strongly correlated electron systems. In particular, <i>R</i><sub>5</sub>Ir<sub>4</sub>Si<sub>10</sub> (<i>R</i> = Dy-Lu) exhibit strong coupling CDWs with high transition temperatures and superconductivity or magnetic ordering at lower temperatures. <i>R</i><sub>5</sub><i>T</i><sub>4</sub>Ge<sub>10</sub> (<i>R</i> = Gd-Tm; <i>T</i> = Co, Rh, Ir) show multiple magnetic transitions with large magnetoresistance below the magnetic transitions. Finally, the light rare earth series <i>R</i><sub>5</sub><i>T</i><sub>4</sub>Sn<sub>10</sub> (<i>R</i> = Ce, Pr, Nd; <i>T</i> = Rh, Ir) display heavy fermion behaviour (for Ce and Pr) or possess giant positive magnetoresistance (for Nd) at low temperatures. This review provides a comprehensive overview of compounds, crystal structures and phase transitions. This is followed by an in-depth discussion of the mechanisms of the phase transitions and the properties of the ordered states. © 2017 IOP Publishing Ltd.

  10. The mechanical, optoelectronic and thermoelectric properties of NiYSn (Y = Zr and Hf) alloys

    NASA Astrophysics Data System (ADS)

    Hamioud, Farida; Mubarak, A. A.

    2017-09-01

    First-principle calculations are performed using DFT as implemented in Wien2k code to compute the mechanical, electronic, optical and thermoelectric properties of NiYSn (Y = Zr and Hf) alloys. The computed lattice constants, bulk modulus and cohesive energy of these alloys at 0 K and 0 GPa are performed. NiZrSn and NiHfSn are found to be anisotropic and elastically stable. Furthermore, both alloys are confirmed to be thermodynamically stable by the calculated values of the standard enthalpy of formation. The Young’s and shear moduli values show that NiZrSn seems to be stiffer than NiHfSn. The optical properties are performed using the dielectric function. Some beneficial optoelectronic applications are found as exposed in the optical spectra. Moreover, the alloys are classified as good insulators for solar heating. The thermoelectric properties as a function of temperature are computed utilizing BoltzTrap code. The major charge carriers are found to be electrons and the alloys are classified as p-type doping alloys.

  11. 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.

  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. 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.

  14. 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

  15. 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.

  16. 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.

  17. 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

  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. 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.

  20. Centrifugal stretching from lifetime measurements in the 170Hf ground state band

    NASA Astrophysics Data System (ADS)

    Smith, M. K.; Werner, V.; Terry, J. R.; Pietralla, N.; Petkov, P.; Berant, Z.; Casperson, R. J.; Heinz, A.; Henning, G.; Lüttke, R.; Qian, J.; Shoraka, B.; Rainovski, G.; Williams, E.; Winkler, R.

    2013-04-01

    Centrifugal stretching in the deformed rare-earth nucleus 170Hf is investigated using high-precision lifetime measurements, performed with the New Yale Plunger Device at Wright Nuclear Structure Laboratory, Yale University. Excited states were populated in the fusion-evaporation reaction 124Sn(50Ti,4n)170Hf at a beam energy of 195 MeV. Recoil distance doppler shift data were recorded for the ground state band through the J=16+ level. The measured B(E2) values and transition quadrupole moments improve on existing data and show increasing β deformation in the ground state band of 170Hf. The results are compared to descriptions by a rigid rotor and by the confined β-soft rotor model.

  1. Lifetime measurements of yrast states in {sup 162}Yb and {sup 166}Hf

    SciTech Connect

    McCutchan, E.A.; Casten, R.F.; Ai, H.; Amro, H.; Heinz, A.; Meyer, D.A.; Plettner, C.; Qian, J.; Ressler, J.J.; Werner, V.; Williams, E.; Winkler, R.; Zamfir, N.V.; Babilon, M.; Brenner, D.S.; Guerdal, G.; Hughes, R.O.; Thomas, N.J.

    2006-03-15

    Lifetime measurements of yrast levels in {sup 162}Yb and {sup 166}Hf were performed using the recoil distance Doppler-shift method in coincidence mode. Excited states in {sup 162}Yb and {sup 166}Hf were populated via the reactions {sup 116}Cd({sup 50}Ti, 4n) and {sup 122}Sn({sup 48}Ti, 4n), respectively. The resulting B(E2) values are compared with the X(5) critical point model predictions and interacting boson approximation (IBA) model calculations. The X(5) model provides a reasonable description of the yrast B(E2) values in {sup 166}Hf, whereas the IBA fails to reproduce the transition strengths from the higher spin levels. In {sup 162}Yb, some transitions agree with the X(5) predictions while others are more consistent with the predictions of the IBA or a deformed symmetric rotor.

  2. Radio HF precursors of Earthquakes

    NASA Astrophysics Data System (ADS)

    Ruzhin, Yu.; Nomicos, C.; Vallianatos, F.; Shpakovsky, V.

    The high frequency (HF) earthquake electromagnetic precursors (40-55MHz band) were recorded by the four electromagnetic stations a few days (hours) prior the event associated with earthquakes with magnitude more than 5.0 at Crete Island. These experiments were performed continuously during 1998-2002 and specific peculiarities are found. This is underhorizon epicenter position for main part of events under question. Another unusual result is that such HF preseismic radio noise-like signals are responsible for seaquakes too. We made conclusion about developing of some thunderstorm-like charged clouds activity in atmosphere before the seismic event. As result of our analysis and interpretation of the available data of continuous observations on a network of Crete island we should state here, that in an atmosphere above the sea on the eve of earthquake at heights of 0.1-10 km the spatially distributed spots of sporadic charged clouds are occurred and the conditions for the electrical discharges in an atmosphere are created which can serve a source of HF radio-emission registered by Crete network. The atmosphere theory relations are used to model a corresponding to an anomalous event emissions generation observed on the Crete. The supposed mechanism of preseismic electricity generation is the model of convection carrier started in an atmosphere. It is governed by the horizontal gradient of air temperature. The occurrence of electrical charges in a surface of the sea and transportation them further on heights up to 10 km in our model occurs due to sporadic energy injections that allocated within bottom of the sea as gases and heat. The dimensions of width and height govern the size of atmosphere convection cells in the earthquake preparation area. These dimensions of the sporadic spots are close to 3 km each as it is derived from shadow geometry and spectral fluctuations of HF signal. Based on experience of Crete HF precursors observation the method for satellite mapping

  3. Properties of slow traps of ALD Al{sub 2}O{sub 3}/GeO{sub x}/Ge nMOSFETs with plasma post oxidation

    SciTech Connect

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

    2016-07-18

    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 (D{sub it}) is a crucial issue for Ge CMOS. In this study, we examine the properties of slow traps, particularly the location of slow traps, of Al{sub 2}O{sub 3}/GeO{sub x}/n-Ge and HfO{sub 2}/Al{sub 2}O{sub 3}/GeO{sub x}/n-Ge MOS interfaces with changing the process and structural parameters, formed by atomic layer deposition (ALD) of Al{sub 2}O{sub 3} and HfO{sub 2}/Al{sub 2}O{sub 3} combined with plasma post oxidation. It is found that the slow traps can locate in the GeO{sub x} interfacial layer, not in the ALD Al{sub 2}O{sub 3} layer. Furthermore, we study the time dependence of channel currents in the Ge n-MOSFETs with 5-nm-thick Al{sub 2}O{sub 3}/GeO{sub x}/Ge gate stacks, with changing the thickness of GeO{sub x}, 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 GeO{sub x}, demonstrating that the slow traps mainly exist near the interfaces between Ge and GeO{sub x}.

  4. HfS, Hyperfine Structure Fitting Tool

    NASA Astrophysics Data System (ADS)

    Estalella, Robert

    2017-02-01

    Hyperfine Structure Fitting (HfS) is a tool to fit the hyperfine structure of spectral lines with multiple velocity components. The HfS_nh3 procedures included in HfS simultaneously fit the hyperfine structure of the NH3 (J, K) = (1, 1) and (2, 2) transitions, and perform a standard analysis to derive {T}{ex}, NH3 column density, {T}{rot}, and {T}{{k}}. HfS uses a Monte Carlo approach for fitting the line parameters. Special attention is paid to the derivation of the parameter uncertainties. HfS includes procedures that make use of parallel computing for fitting spectra from a data cube.

  5. Assessment of density functionals and paucity of non-covalent interactions in aminoylyne complexes of molybdenum and tungsten [(η(5)-C5H5)(CO)2M≡EN(SiMe3)(R)] (E = Si, Ge, Sn, Pb): a dispersion-corrected DFT study.

    PubMed

    Pandey, Krishna K; Patidar, Pankaj; Bariya, Pankaj K; Patidar, Sunil K; Vishwakarma, Ravi

    2014-07-14

    Electronic, molecular structure and bonding energy analyses of the metal-aminosilylyne, -aminogermylyne, -aminostannylyne and -aminoplumbylyne complexes [(η(5)-C5H5)(CO)2M[triple bond, length as m-dash]EN(SiMe3)(Ph)] (M = Mo, W) and [(η(5)-C5H5)(CO)2Mo[triple bond, length as m-dash]GeN(SiMe3)(Mes)] have been investigated at DFT, DFT-D3 and DFT-D3(BJ) levels using BP86, PBE, PW91, RPBE, TPSS and M06-L functionals. The performance of metaGGA functionals for the geometries of aminoylyne complexes is better than GGA functionals. Significant dispersion interactions between OH, EC(O) and EH pairs appeared in the dispersion-corrected geometries. The non-covalent distances of these interactions follow the order DFT > DFT-D3(BJ) > DFT-D3. The values of Nalewajski-Mrozek bond order (1.22-1.52) and Pauling bond order (2.23-2.59) of the optimized structures at BP86/TZ2P indicate the presence of multiple bonds between metal and E atoms. The overall electronic charges transfer from transition-metal fragments to ligands. The topological analysis based on QTAIM has been performed to determine the analogy of non-covalent interactions. The strength of M[triple bond, length as m-dash]EN(SiMe3)(R) bonds has been evaluated by energy decomposition analysis. The electrostatic interactions are almost equal to orbital interactions. The M ← E σ-donation is smaller than the M → E π-back donation. Upon going from E = Si to E = Pb, the M-E bond orders decrease as Si > Ge > Sn > Pb, consistent with the observed geometry trends. The M-E uncorrected bond dissociation energies vary with the density functionals as RPBE < BP86 < PBE < TPSS < PW91. The largest DFT-D3 dispersion corrections to the BDEs correspond to the BP86 functional, ranging between 5.6-8.1 kcal mol(-1), which are smaller than the DFT-D3(BJ) dispersion corrections (10.1-12.0 kcal mol(-1)). The aryl substituents on nitrogen have an insignificant effect on M-E-N bending. The bending of the M-E-N bond angle has been discussed

  6. 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.

  7. 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.

  8. 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.

  9. Ab-initio calculations on half-Heusler NiXSn (X = Zr, Hf) compounds: electronic and optical properties under pressure

    NASA Astrophysics Data System (ADS)

    Ozisik, H. B.; Ateser, E.; Ozisik, H.; Colakoglu, K.; Deligoz, E.

    2017-02-01

    In this study, we have investigated the electronic and optical properties of half-Heusler NiXSn (X = Zr, Hf) compounds under pressure by means of first principles calculations. The generalized gradient approximation is used to model exchange-correlation effects. We have estimated a transition from indirect band gap to direct band gap at 50 and 127 GPa for NiZrSn and NiHfSn, respectively. We have also plotted the static dielectric constant versus pressure for both compounds. The obtained results are in agreement with the available experimental and theoretical data.

  10. Ab-initio calculations on half-Heusler NiXSn (X = Zr, Hf) compounds: electronic and optical properties under pressure

    NASA Astrophysics Data System (ADS)

    Ozisik, H. B.; Ateser, E.; Ozisik, H.; Colakoglu, K.; Deligoz, E.

    2017-07-01

    In this study, we have investigated the electronic and optical properties of half-Heusler NiXSn (X = Zr, Hf) compounds under pressure by means of first principles calculations. The generalized gradient approximation is used to model exchange-correlation effects. We have estimated a transition from indirect band gap to direct band gap at 50 and 127 GPa for NiZrSn and NiHfSn, respectively. We have also plotted the static dielectric constant versus pressure for both compounds. The obtained results are in agreement with the available experimental and theoretical data.

  11. First evidence of low energy enhancement in Ge isotopes

    NASA Astrophysics Data System (ADS)

    Renstrøm, T.; Nyhus, H.-T.; Utsunomiya, H.; Larsen, A. C.; Siem, S.; Guttormsen, M.; Filipescu, D. M.; Gheorghe, I.; Goriely, S.; Bernstein, L. A.; Bleuel, D. L.; Glodariu, T.; Görgen, A.; Hagen, T. W.; Lui, Y.-W.; Negi, D.; Ruud, I. E.; Şahin, E.; Schwengner, R.; Shima, T.; Takahisa, K.; Tesileanu, O.; Tornyi, T. G.; Tveten, G. M.; Wiedeking, M.

    2015-05-01

    The γ-strength functions and level densities of 73,74Ge have been extracted from particle-γ coincidence data using the Oslo method. In addition the γ-strength function of 74Ge above the neutron separation threshold, Sn = 10.196 MeV has been extracted from photoneutron measurements. When combined, these two experiments give a γ-strength function covering the energy range of ˜1-13 MeV for 74Ge. This thorough investigation of 74Ge is a part of an international campaign to study the previously reported low energy enhancement in this mass region in the γ-strength function from ˜3MeV towards lower γ energies. The obtained data show that both 73,74Ge display an increase in strength at low γ energies.

  12. Polynitrogen chemistry: preparation and characterization of (N5)2SnF6, N5SnF5, and N5B(CF3)4.

    PubMed

    Wilson, William W; Vij, Ashwani; Vij, Vandana; Bernhardt, Eduard; Christe, Karl O

    2003-06-16

    Metathetical processes were used to convert N5SbF6 into N5[B(CF3)4] and (N5)2SnF6. The latter salt is especially noteworthy because it contains two N5+ ions per anion, thus demonstrating that salts with touching polynitrogen cations can be prepared. This constitutes an important milestone towards our ultimate goal of synthesizing a stable, ionic nitrogen allotrope. The stepwise decomposition of (N5)2SnF6 yielded N5SnF5. Multinuclear NMR spectra show that in HF the SnF5- ion exists as a mixture of Sn2F(10)(2-) and Sn4F(20)(4-) ions. Attempts to isolate FN5 from the thermolysis of (N5)2SnF6 were unsuccessful, yielding only the expected decomposition products, FN3, N2, trans-N2F2, NF3, and N2.

  13. Inorganic oxides with potential application in the preparation of a (68)Ge/(68)Ga generator system.

    PubMed

    Romero, E; Morcillo, M A

    2017-01-01

    The ion exchange properties of some tin and titanium oxides with potential application in the development of a (68)Ge/(68)Ga generator were determined. The best potential candidates, SnO2 and calcined SnO2, were further characterized by powder X-Ray Diffraction (XRD), Scanning Electron Microscopy (SEM) and Brunauer-Emmett-Teller (BET) surface area analysis and its radiation stability was also determined. Two (68)Ge/(68)Ga pilot generators (1.85MBq) based on SnO2 and calcined SnO2 were developed and evaluated over 100 and 200 elution cycles respectively, using as eluent different concentrations of HCl. The generator based on calcined SnO2 showed higher (68)Ga elution yield and lower (68)Ge content in the eluate (75-80% and <3×10(-3)% respectively, 1-2M HCl) than the generator based on unheated SnO2 (60-65% and <1×10(-1)% respectively, 1-2M HCl). Nano-crystalline calcined SnO2 proved to be a promising sorbent; therefore it should be considered as an attractive candidate to develop (68)Ge/(68)Ga generators to produce gallium-68 for biomedical purposes. Copyright © 2016 Elsevier Ltd. All rights reserved.

  14. Characterization of Ultrathin Ta-oxide Films Formed on Ge(100) by ALD and Layer-by-Layer Methods

    NASA Astrophysics Data System (ADS)

    Mishima, K.; Murakami, H.; Ohta, A.; Sahari, S. K.; Fujioka, T.; Higashi, S.; Miyazaki, S.

    2013-03-01

    Atomic layer deposition (ALD) and Layer-by-Layer deposition of Ta-oxide films on Ge(100) with using tris (tert-butoxy) (tert-butylimido) tantalum have been studied systematically. From the analysis of the chemical bonding features of the interface between TaOx and Ge(100) using x-ray photoelectron spectroscopy (XPS), Ge atom diffusion into the Ta oxide layer and resultant TaGexOy formation during deposition at temperatures higher than 200°C were confirmed. Also, we have demonstrated that nanometer-thick deposition of Tantalum oxide as an interfacial layer effectively suppresses the formation of GeOx in the HfO2 ALD on Ge. By the combination of TaOx pre-deposition on Ge(100) and subsequent ALD of HfO2, a capacitance equivalent thickness (CET) of 1.35 nm and relative dielectric constant of 23 were achieved.

  15. Negative photoconductivity and memory effects of germanium nanocrystals embedded in HfO2 dielectric.

    PubMed

    Wang, Shiye; Liu, Weili; Zhang, Miao; Song, Zhitang; Lin, Chenglu; Dai, J Y; Lee, P F; Chan, H L W; Choy, C L

    2006-01-01

    A metal-insulator-semiconductor (MIS) structure containing an HfO2/SiO2 stack tunnel layer, isolated Germanium (Ge) nanocrystals, and an HfO2 capping layer, was obtained by an electron-beam evaporation method. A high-resolution transmission electron microscopy (HRTEM) study revealed that uniform and pronounced Ge nanocrystals had formed after annealing. Raman spectroscopy provided evidence for the formation of Ge-Ge bonds and the optimal annealing temperature for the crystallization ratio of the Ge. The electric properties of the MIS structure were characterized by capacitance-voltage (C-V) and current-voltage (I-V) measurements at room temperature. Negative photoconductivity was observed when the structure was under a forward bias, which screened the bias voltage, resulting in a decrease in the current at a given voltage and a negative shift in flat band voltage. A relatively high stored charge density of 3.27 x 10(12) cm 2 was also achieved.

  16. Simulated characteristics of a heterojunction phototransistor with Ge1-xSnx alloy as base

    NASA Astrophysics Data System (ADS)

    Kumar, Dur Vesh; Pandey, Ankit Kumar; Basu, Rikmantra; Sharma, Anuj K.

    2016-12-01

    Groups III-V compound semiconductors and their alloys are the main photodetecting elements for the entire fiber optic telecommunication band. However, the recent successful growth of GeSnx alloy on Ge virtual substrates on Si platform makes the group IV alloys a potential competitor. GeSnx alloy shows direct band gap and has an absorption coefficient almost 10 times higher than that of Ge. The photonic devices are complementary metal-oxide-semiconductor compatible. We have considered an n-Ge/p+-GeSnx/n-GeSnx heterojunction phototransistor (HPT) and studied the variations of terminal currents by considering the Gummel Poon model of HPT, and values of optical and current gains, photocurrent, and responsivity have been obtained. The performance of the device as a photodetector at fiber optic communication wavelengths seems quite encouraging to justify the use of GeSn-based HPTs as a replacement of III-IV semiconductor-based photodetectors.

  17. High-Temperature Crystal Structure and Chemical Bonding in Thermoelectric Germanium Selenide (GeSe).

    PubMed

    Sist, Mattia; Gatti, Carlo; Nørby, Peter; Cenedese, Simone; Kasai, Hidetaka; Kato, Kenichi; Iversen, Bo B

    2017-05-17

    The discovery of the ultra-high thermoelectric figure of merit of 2.6 in SnSe has drawn attention to other lead-free IV-VI orthorhombic semiconductors. GeSe has been predicted to possess thermoelectric performances comparable to SnSe. Here, a complete structural study is reported of GeSe with temperature by means of high-resolution synchrotron powder X-ray diffraction. In the orthorhombic phase, the evolution of the bond distances with temperature is shown to deviate significantly with respect to SnSe. Analysis of the chemical bonding within the Quantum Theory of Atoms in Molecules shows that GeSe is ionic with van der Waals interlayer interactions. The signature of the N shell lone pair of Ge is also evident from both the electron density Laplacian and the ELF topologies. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Dopant penetration studies through Hf silicate

    NASA Astrophysics Data System (ADS)

    Quevedo-Lopez, M. A.; Visokay, M. R.; Chambers, J. J.; Bevan, M. J.; LiFatou, A.; Colombo, L.; Kim, M. J.; Gnade, B. E.; Wallace, R. M.

    2005-02-01

    We present a study of the penetration of B, P, and As through Hf silicate (HfSixOy) and the effect of N incorporation in Hf silicate (HfSixOyNz) on dopant penetration from doped polycrystalline silicon capping layers. The extent of penetration through Hf silicate was found to be dependent upon the thermal annealing budget for each dopant investigated as follows: B(T⩾950°C/60s), P(T⩾1000°C/20s), and As (T⩾1050°C/60s). We propose that the enhanced diffusion observed for these dopants in HfSixOy, compared with that of SiO2 films, is related to grain boundary formation resulting from HfSixOy film crystallization. We also find that, as in the case of SiO2, N incorporation inhibits dopant (B, P, and As) diffusion through the Hf silicate and thus penetration into the underlying Si substrate. Only B penetration is clearly observed through HfSiON films for anneals at 1050 °C for durations of 10 s or longer. The calculated B diffusivity through the HfSixOyNz layer is D0=5.2×10-15cm2/s.

  19. 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.

  20. Radiation hardness of 3HF-tile/O2-WLS-fiber calorimeter

    SciTech Connect

    Han, S.W.; Hu, L.D.; Liu, N.Z.

    1993-11-01

    The radiation hardness of a 3HF-tile/O2-WLS-fiber calorimeter with two different tile/fiber patterns has been studied. Two calorimeter modules were irradiated up to 10 Mrad with the BEPC 1.3 GeV electron beam. The radiation damage of these modules is compared with our previous measurements from SCSN81-tile/BCF91A-WLS-fiber modules. The longitudinal damage profiles are fitted as a function of depth.

  1. 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.

  2. 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.

  3. Precise measurement of energies in 115Sn following the (n ,γ ) reaction

    NASA Astrophysics Data System (ADS)

    Urban, W.; Köster, U.; Jentschel, M.; Mutti, P.; Märkisch, B.; RzÄ ca-Urban, T.; Bernards, Ch.; Fransen, Ch.; Jolie, J.; Thomas, T.; Simpson, G. S.

    2016-07-01

    The first measurement of γ rays from the 114Sn(n ,γ ) reaction using cold neutrons, performed with an array of Ge detectors at the PF1B facility of the Institute Laue-Langevin in Grenoble, has provided the most accurate energy, Qβ=173 (12 ) eV, of β- decay of the 115In ground state to the first excited state in 115Sn. This is the lowest of all such energies in the known nuclear landscape. The accuracy of the neutron binding energy of 115Sn and the mass of 114Sn have been improved.

  4. Growth mechanism of Ge-doped CZTSSe thin film by sputtering method and solar cells.

    PubMed

    Li, Jinze; Shen, Honglie; Chen, Jieyi; Li, Yufang; Yang, Jiale

    2016-10-19

    Ge-doped CZTSSe thin films were obtained by covering a thin Ge layer on CZTS precursors, followed by a selenization process. The effect of the Ge layer thickness on the morphologies and structural properties of Ge-doped CZTSSe thin films were studied. It was found that Ge doping could promote grain growth to form a compact thin film. The lattice shrank in the top-half of the film due to the smaller atomic radius of Ge, leading to the formation of tensile stress. According to thermodynamic analysis, Sn was easier to be selenized than Ge. Thus, Ge preferred to remain on the surface and increased the surface roughness when the Ge layer was thin. CZTSe was easier to form than Ge-doped CZTSe, which caused difficulty in Ge doping. These results offered a theoretical and experimental guide for preparing Ge-doped CZTSSe thin films for the potential applications in low-cost solar cells. With a 10 nm Ge layer on the top of the precursor, the conversion efficiency of the solar cell improved to 5.38% with an open-circuit voltage of 403 mV, a short-circuit current density of 28.51 mA cm(-2) and a fill factor of 46.83% after Ge doping.

  5. Current Thermal Emission from Photonic Nanostructures Composed of TA, W, GE, and HFO2 Thin Films

    DTIC Science & Technology

    2015-03-01

    tungsten-germanium-tungsten (W-Ge-W), tungsten-hafnium oxide-tungsten (W-HfO2-W), tantalum -germanium- tantalum (Ta-Ge- Ta), and tantalum -hafnium oxide... tantalum (Ta-HfO2-Ta), with layer thicknesses of 10- 760-145 nanometers (nm), 10-701-145 nm, 9.6-728-169 nm, and 9.6-301-169 nm, respectively. The...Ag) [blue], Tungsten (W) [red dash], Tantalum (Ta) [black dash-dot], and Gold (Au) [green]. Properties from [46, 51, 58

  6. Radiation effects in intrinsic 3HF scintillator

    NASA Astrophysics Data System (ADS)

    Bross, Alan D.; Pla-Dalmau, Anna

    1993-04-01

    Test scintillators of the type 3-hydroxyflavone (3HF) plus polystyrene were prepared with 3HF doping concentrations between 0.05% and 2.0% by weight. Ternary scintillators of the type p-terphenyl(1%)+3HF(0.01%) and p-terphenyl(1%)+3HF(0.1%) in polystyrene were also prepared. The scintillation light yield is given for all samples. Representative fluorescence and transmittance spectra are also shown. Changes in light yield, transmittance, and fluorescence are shown for 60Co irradiations with integrated doses of 10 and 30 Mrad.

  7. 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.

  8. The study of multilayers Fe/Hf and Ni/Hf by slow positron beam technique

    NASA Astrophysics Data System (ADS)

    Tashiro, Mutsumi; Nakajyo, Terunobu; Murashige, Yusuke; Koizumi, Tomoya; Kanazawa, Ikuzo; Komori, Fumio; Soe, We-Hyo; Yamamoto, Ryoichi; Ito, Yasuo

    1997-05-01

    The S-parameters versus the incident positron energy are measured in the Ni/Hf multilayer, thin Hf film, thin Fe film and the bilayer Fe/Hf. We have analyzed the change in vacancy-type defects in these multilayers and thin films with the deposition temperature in the MBE system.

  9. From one to three dimensions: corrugated ∞(1)[NiGe] ribbons as a building block in alkaline earth metal Ae/Ni/Ge phases with crystal structure and chemical bonding in AeNiGe (Ae = Mg, Sr, Ba).

    PubMed

    Hlukhyy, Viktor; Siggelkow, Lisa; Fässler, Thomas F

    2013-06-17

    The new equiatomic nickel germanides MgNiGe, SrNiGe, and BaNiGe have been synthesized from the elements in sealed tantalum tubes using a high-frequency furnace. The compounds were investigated by X-ray diffraction both on powders and single crystals. MgNiGe crystallizes with TiNiSi-type structure, space group Pnma, Z = 4, a = 6.4742(2) Å, b = 4.0716(1) Å, c = 6.9426(2) Å, wR2 = 0.033, 305 F(2) values, 20 variable parameters. SrNiGe and BaNiGe are isotypic and crystallize with anti-SnFCl-type structure (Z = 4, Pnma) with a = 5.727(1) Å, b = 4.174(1) Å, c = 11.400(3) Å, wR2 = 0.078, 354 F(2) values, 20 variable parameters for SrNiGe, and a = 5.969(4) Å, b = 4.195(1) Å, c = 11.993(5) Å, wR2 = 0.048, 393 F(2) values, 20 variable parameters for BaNiGe. The increase of the cation size leads to a reduction of the dimensionality of the [NiGe] polyanions. In the MgNiGe structure the nickel and germanium atoms build a ∞(3)[NiGe] network with magnesium atoms in the channels. In SrNiGe and BaNiGe the ∞(1)[NiGe] ribbons are separated by strontium/barium atoms, whereas in the known CaNiGe structure the ribbons are fused to two-dimmensional atom slabs. The crystal chemistry and chemical bonding in AeNiGe (Ae = Mg, Ca, Sr, Ba) are discussed. The experimental results are reconciled with electronic structure calculations performed using the tight-binding linear muffin-tin orbital (TB-LMTO-ASA) method.