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

FOCUS · S48 · ID: 47268

Presentations

  • Froehlich condensate of Phonons and heat control

    ORAL · Invited

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    Publication: References:<br>1. H. Fröhlich, Int. J. Quantum Chem. 2, 641 (1968).<br>2. X .Zheng and B Li, Phys. Rev. A. 104, 043512 (2021).<br>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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  • Identifying thermal insulators via ab initio Green Kubo simulations guided by anharmonicity

    ORAL

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    Publication: F. Knoop et al., J. Open Source Softw. 5, 2671 (2020)<br>F. Knoop, et al., Phys. Rev. Mater. 4, 083809 (2020)<br>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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  • Theory of dynamical structure factors in complex twisted materials

    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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  • The quasiharmonic approximation via space group irreducible derivatives

    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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  • Topological Invariant of Acoustic Phonons in 2D materials

    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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  • Extremely high thermoelectric performance of SnSe at optimal carrier densities

    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.<br>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.<br>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.<br>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.<br>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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  • Self-consistent extended Hubbard functional study on electronic and structural properties of BaBiO<sub>3</sub> and BaSbO<sub>3</sub>

    ORAL

    –

    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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  • Thermoelectric properties and carrier dynamics in two-dimensional chalcogenides

    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 →