Focus Session: Computational Studies of Thermoelectric Materials

Presentations

• Finding new thermoelectrics: Parabolic bands are (probably) not enough

  COFFEE_KLATCH · Invited

  March 5, 2014, 11:15 AM – March 5, 2014, 11:51 AM

  Authors

  • David J. Singh

    • Oak Ridge National Laboratory
    • Oak Ridge National Lab

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• Quantum Resonance Effects to Thermoelectric Property of Organometallic Molecular Materials

  ORAL

  March 5, 2014, 11:51 AM – March 5, 2014, 12:03 PM

  Authors

  • Hisao Nakamura

    • National Institute of Advanced Industrial Science and Technology (AIST)

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• First Principles explanation of the positive Seebeck coefficient of lithium

  ORAL

  March 5, 2014, 12:03 PM – March 5, 2014, 12:15 PM

  Authors

  • Matthieu Verstraete

    • University of Liege, Belgium

  • Bin Xu

    • University of Liege, Belgium

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• Thermoelectric transport through single molecule junctions

  ORAL

  March 5, 2014, 12:15 PM – March 5, 2014, 12:27 PM

  Authors

  • Marius Ernst Buerkle

    • Nanosystem Research Institute, National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Ibaraki 305-8568, Japan

  • Thomas Hellmuth

    • Institut f\"ur Theoretische Festk\"orperphysik, Karlsruhe Institute of Technology, 76131 Karlsruhe, Germany

  • Fabian Pauly

    • Department of Physics, University of Konstanz, 78457 Konstanz, Germany

  • Yoshihiro Asai

    • Nanosystem Research Institute, National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Ibaraki 305-8568, Japan

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• First-principles study of the thermoelectric properties of Cu2S

  ORAL

  March 5, 2014, 12:27 PM – March 5, 2014, 12:39 PM

  Authors

  • Keenan Zhuo

    • Georgia Institute of Technology

  • Cheng-Rong Hsing

    • Institute of Atomic and Molecular Science, Academia Sinica, Taiwan

  • Ching-Ming Wei

    • Institute of Atomic and Molecular Science, Academia Sinica, Taiwan

  • Mei-Yin Chou

    • Institute of Atomic and Molecular Science, Academia Sinica, Taiwan and Georgia Institute of Technology

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• Atomic simulations of nonlinear lattice dynamics in PbTe

  ORAL

  March 5, 2014, 12:39 PM – March 5, 2014, 12:51 PM

  Authors

  • Yue Chen

    • Columbia Univ

  • Chris Marianetti

    • Columbia Univ
    • Columbia University
    • Department of Applied Physics and Applied Mathematics, Columbia University

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• Computational design for low-temperature thermoelectric materials

  COFFEE_KLATCH · Invited

  March 5, 2014, 12:51 PM – March 5, 2014, 1:27 PM

  Authors

  • Mona Zebarjadi

    • Rutgers University

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• An ab initio study of the effect of host-guest interaction on thermal transport in Ba$_{8}$Ga$_{16}$Ge$_{30}$

  ORAL

  March 5, 2014, 1:27 PM – March 5, 2014, 1:39 PM

  Authors

  • Terumasa Tadano

    • Department of Physics, The University of Tokyo

  • Yoshihiro Gohda

    • Department of Physics, The University of Tokyo

  • Shinji Tsuneyuki

    • Department of Physics, ISSP, The University of Tokyo
    • Department of Physics, The University of Tokyo

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• Spherical Harmonic Expansion Method for Coupled Electron-Phonon Boltzmann Transport

  ORAL

  March 5, 2014, 1:39 PM – March 5, 2014, 1:51 PM

  Authors

  • Marco Santia

    • Michigan State University

  • John Albrecht

    • Michigan State University

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• Temperature dependent anharmonic lattice dynamics

  ORAL

  March 5, 2014, 1:51 PM – March 5, 2014, 2:03 PM

  Authors

  • Olle Hellman

    • Linkoping Univ - Linkoping
    • Linkoping University, Sweden

  • Sergei Simak

    • Linkoping Univ - Linkoping

  • Igor A. Abrikosov

    • Linkoping Univ - Linkoping
    • Linkoping University, Sweden

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