Electrons, Phonons, Electron-Phonon Scattering, and Phononics V

FOCUS · S48 · ID: 47268

Presentations

  • ORAL · Invited

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    Publication: References:
    1. H. Fröhlich, Int. J. Quantum Chem. 2, 641 (1968).
    2. X .Zheng and B Li, Phys. Rev. A. 104, 043512 (2021).
    3. X. Zheng and B Li, preprint (to be published).

    Presenters

    • Baowen Li

      • University of Colorado, Boulder

    Authors

    • Baowen Li

      • University of Colorado, Boulder

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  • ORAL

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    Publication: F. Knoop et al., J. Open Source Softw. 5, 2671 (2020)
    F. Knoop, et al., Phys. Rev. Mater. 4, 083809 (2020)
    F. Knoop, C. Carbogno, and M. Scheffler, planned

    Presenters

    • Florian Knoop

      • NOMAD Laboratory, Fritz Haber Institute of the Max Planck Society
      • The NOMAD Laboratory at the Fritz Haber Institute of the MPG

    Authors

    • Florian Knoop

      • NOMAD Laboratory, Fritz Haber Institute of the Max Planck Society
      • The NOMAD Laboratory at the Fritz Haber Institute of the MPG

    • Matthias Scheffler

      • NOMAD Laboratory, Fritz Haber Institute of the Max Planck Society
      • Fritz-Haber Institute
      • The NOMAD Laboratory at the Fritz Haber Institute of the MPG

    • Christian Carbogno

      • NOMAD Laboratory, Fritz Haber Institute of the Max Planck Society
      • Fritz-Haber-Institute
      • The NOMAD Laboratory at the Fritz Haber Institute of the MPG

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  • ORAL

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    Publication: "Quasiparticle twist dynamics in non-symmorphic materials," R. Juneja, S. Thébaud, T. Pandey, C. A. Polanco, D. H. Moseley, M. E. Manley, Y. Q. Cheng, B. Winn, D. L. Abernathy, R. P. Hermann, L. Lindsay, Materials Today Physics 21, 100548 (2021).

    Presenters

    • Lucas Lindsay

      • National Research Council

    Authors

    • Lucas Lindsay

      • National Research Council

    • Rinkle Juneja

      • Oak Ridge National Lab

    • Simon Thebaud

      • Oak Ridge National Lab

    • Tribhuwan Pandey

      • Univ of Antwerp

    • Carlos A Polanco

      • Oak Ridge National Lab

    • Duncan H Moseley

      • Oak Ridge National Lab
      • Oak Ridge National Laboratory

    • Michael E Manley

      • Oak Ridge National Lab

    • Yongqiang Cheng

      • Oak Ridge National Laboratory
      • Oak Ridge National Lab

    • Barry Winn

      • Oak Ridge National Laboratory
      • Oak Ridge Nation Lab

    • Douglas L Abernathy

      • Oak Ridge National Lab

    • Raphael P Hermann

      • Oak Ridge National Lab

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  • ORAL

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    Publication: Mark A. Mathis, Amey Khanolkar, Lyuwen Fu, Matthew S. Bryan, Cody A. Dennett, Karl Rickert, J. Matthew Mann, Barry Winn, Douglas L. Abernathy, Michael E. Manley, David H. Hurley, Chris A. Marianetti, The quasiharmonic approximation via space group irreducible derivatives, 2020, submitted to Physical Review B.

    Presenters

    • Mark Mathis

      • Columbia University

    Authors

    • Mark Mathis

      • Columbia University

    • Lyuwen Fu

      • Columbia Univ

    • Chris Marianetti

      • Columbia Univ
      • Columbia University

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  • ORAL

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    Publication: Lange, G. F., Bouhon, A., Monserrat, B., and Slager, R.-J., "Topological continuum charges of acoustic phonons in 2D", arXiv:2109.01676

    Presenters

    • Gunnar F Lange

      • University of Cambridge

    Authors

    • Gunnar F Lange

      • University of Cambridge

    • Adrien Bouhon

      • NORDITA

    • Bartomeu Monserrat

      • University of Cambridge

    • Robert-Jan Slager

      • Univ of Cambridge
      • TCM Group, Cavendish Laboratory, University of Cambridge; Department of Physics, Harvard University
      • University of Cambridge

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  • ORAL

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    Publication: 1) Chaves, Anderson S; Antonelli, Alex; Larson, Daniel T,; Kaxiras, Efthimios; Boosting the efficiency of ab initio electron-phonon coupling calculations through dual interpolation ; Physical Review B, 102 (12),125116, 2020.
    2) Chaves, Anderson S.; Larson, Daniel T.; Kaxiras, Efthimios; Antonelli, Alex; Microscopic origin of the high thermoelectric figure of merit in n-doped SnSe; Physical Review B, 104, 115204, 2021.
    3) Chaves, Anderson S.; Gonzalez-Romero, Robert L.; Meléndez, Juan J.; Antonelli, Alex; Investigating charge carrier scattering processes in anisotropic semiconductors through first-principles calculations: the case of p-type SnSe , PCCP, 2021, 23(2), 900-913.
    4) Chaves, Anderson S; Larson, Daniel T,; Kaxiras, Efthimios; Antonelli, Alex; Carrier density optimization in SnSe: Robust zT > 4 due to low Lorenz numbers, to be submitted.
    5) Chaves, Anderson S; Larson, Daniel T,; Kaxiras, Efthimios; Antonelli, Alex; Optimal doping prediction for out-of-plane p-doped GeSe thermoeletrics, to be submitted.

    Presenters

    • Anderson S Chaves

      • Harvard University and University of Campinas

    Authors

    • Anderson S Chaves

      • Harvard University and University of Campinas

    • Daniel T Larson

      • Harvard University

    • Efthimios Kaxiras

      • Harvard University

    • Alex Antonelli

      • UNICAMP-Univ de Campinas

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  • ORAL

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    Presenters

    • Bo Gyu Jang

      • Korea Institute for Advanced Study (KIAS)

    Authors

    • Bo Gyu Jang

      • Korea Institute for Advanced Study (KIAS)

    • Minjae Kim

      • Korea Institute for Advanced Study

    • Sang-Hoon Lee

      • Korea Inst for Advanced Study

    • Wooil Yang

      • Pohang Univ of Sci & Tech

    • Seung-Hoon Jhi

      • Pohang Univ of Sci & Tech

    • Young-Woo Son

      • Korea Inst for Advanced Study

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  • ORAL

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    Publication: R. Gupta, B. Dongre, J. Carrete, and C. Bera, Thermoelectric properties of the SnS monolayer: Fully ab initio and accelerated calculations, J. Appl. Phys. 130, 054301 (2021)

    Presenters

    • Raveena Gupta

      • (1) Institute of Nano Science and Technology, Mohali, Punjab 140306, India (2) Center for Nanoscience and Nanotechnology, Panjab University, Chandigarh 160036, India

    Authors

    • Raveena Gupta

      • (1) Institute of Nano Science and Technology, Mohali, Punjab 140306, India (2) Center for Nanoscience and Nanotechnology, Panjab University, Chandigarh 160036, India

    • Chandan Bera

      • Institute of Nano Science and Technology, Sector 81, Knowledge City, Mohali, Punjab 140306, India

    View abstract →