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

FOCUS · B58 · ID: 2155716

Presentations

  • Beyond the Fröhlich Hamiltonian: Large polarons in anharmonic solids

    ORAL

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    Publication: M. Houtput and J. Tempere, Beyond the Fröhlich Hamiltonian: Path-integral treatment of large polarons in anharmonic solids. Phys. Rev. B 103, 184306 (2021)
    M. Houtput and J. Tempere, Optical conductivity of an anharmonic large polaron gas at weak coupling. Phys. Rev. B 106, 214315 (2022)
    M. Houtput and J. Tempere, Stability conditions for a large anharmonic bipolaron. Phys. Rev. B 107, 014510 (2023)

    Presenters

    • Matthew S Houtput

      University of Antwerp

    Authors

    • Matthew S Houtput

      University of Antwerp

    View abstract →

  • Cooper-Paired Bipolaronic Superconductors

    ORAL

    –

    Publication: https://arxiv.org/abs/2308.13427

    Presenters

    • Sebastian Paeckel

      Ludwig-Maximilians-Universitaet

    Authors

    • Sebastian Paeckel

      Ludwig-Maximilians-Universitaet

    • Martin Grundner

      LMU Munich

    • Ulrich Schollwoeck

      Ludwig-Maximilians-Universität München, Ludwig-Maximilians-Universität, Ludwig-Maximilians-Universitaet (LMU-Munich), LMU Munich

    • Tizian Blatz

      LMU Munich

    • John Sous

      Stanford University

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  • Density-functional perturbation theory for one-dimensional systems: implementation and relevance for phonons and electron-phonon interactions

    ORAL

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    Publication: [1] N. Rivano, N. Marzari, T. Sohier, npj Comput Mater 9, 194 (2023).
    [2] N. Rivano, N. Marzari, T. Sohier (2023) -- arXiv preprint arXiv:2310.03907.

    Presenters

    • Norma Rivano

      THEOS, EPFL; NCCR, MARVEL

    Authors

    • Norma Rivano

      THEOS, EPFL; NCCR, MARVEL

    • Nicola Marzari

      Ecole Polytechnique Federale de Lausanne, THEOS, EPFL; NCCR MARVEL; LSM Paul Scherrer Insitut, EPFL, THEOS, EPFL; NCCR, MARVEL; LMS, Paul Scherrer Institut

    • Thibault Sohier

      Université de Montpellier, CNRS

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  • Variational Polaron Equations Applied to the Generalized Fröhlich Model

    ORAL

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    Publication: 1. Sio, W. H., Verdi, C., Poncé, S. & Giustino, F. Ab initio theory of polarons: Formalism and applications. Phys. Rev. B 99, 235139 (2019)
    2. Sio, W. H., Verdi, C., Poncé, S. & Giustino, F. Polarons from First Principles, without Supercells. Phys. Rev. Lett. 122, 246403 (2019)
    3.. Lafuente-Bartolome, J. et al. Ab initio self-consistent many-body theory of polarons at all couplings. Phys. Rev. B 106, 075119 (2022)
    4. Lafuente-Bartolome, J. et al. Unified Approach to Polarons and Phonon-Induced Band Structure Renormalization. Phys. Rev. Lett. 129, 076402 (2022)
    5. Vasilchenko, V., Zhugayevych, A. & Gonze, X. Variational polaron equations applied to the anisotropic Fröhlich model. Phys. Rev. B 105, 214301 (2022)
    6. Miglio, A. et al. Predominance of non-adiabatic effects in zero-point renormalization of the electronic band gap. Npj Comput. Mater. 6, 1–8 (2020)
    7. Guster, B. et al. Fröhlich polaron effective mass and localization length in cubic materials: Degenerate and anisotropic electronic bands. Phys. Rev. B 104, 235123 (2021)
    8. René de Cotret, L. P. et al. Direct visualization of polaron formation in the thermoelectric SnSe. Proc. Natl. Acad. Sci. 119, e2113967119 (2022)
    9. Guster, B., Vasilchenko, V., Azizi, M., Giantomassi, M. & Gonze, X. Large cylindrical polaron in orthorhombic SnSe: A theoretical study. Phys. Rev. Mater. 7, 064604 (2023)

    Presenters

    • Vasilii Vasilchenko

      Universite catholique de Louvain

    Authors

    • Vasilii Vasilchenko

      Universite catholique de Louvain

    • Bogdan Guster

      Universite catholique de Louvain

    • Xavier Gonze

      Universite catholique de Louvain

    View abstract →

  • Quantum acoustics: the coherent state formalism for electron-lattice interaction

    ORAL

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    Publication: D. Kim, A. Aydin, A. Daza, K.N. Avanaki, J. Keski-Rahkonen, E.J. Heller, Phys. Rev. B 106, 054311 (2022)

    A. Aydin, D.Kim, J. Keski-Rahkonen, and E.J. Heller, Quantum Acoustics Spawns Planckian Resistivity (arXiv:2303.06077v2)

    J. Keski-Rahkonen, X. Ouyang, S. Yuan, A.M. Graf, A. Aydin, and E.J. Heller, Quantum-Acoustical Drude Peak Shift (In preparation)

    Presenters

    • Shaobing Yuan

      Peking University, Peking Univ

    Authors

    • Shaobing Yuan

      Peking University, Peking Univ

    • Xiaoyu Ouyang

      Department of Physics, Harvard University, Harvard University, Cambridge, MA 02138, USA, Peking University

    • Joonas Keski-Rahkonen

      Harvard University

    • Alhun Aydin

      Sabanci University

    • Anton M Graf

      Department of Physics, Harvard University, Harvard University, Cambridge, MA 02138, USA, Harvard University

    • Eric J Heller

      Department of Physics, Harvard University, Harvard University, Cambridge, MA 02138, USA, Harvard University

    View abstract →

  • Continuous crossover between insulating ferroelectrics and polar metals: extit{Ab initio} calculation of structural phase transitions of Li$B$O$_3$ ($B$ = Nb, Ta, W, Re, Os)

    ORAL

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    Presenters

    • Ryota Masuki

      Univ of Tokyo

    Authors

    • Ryota Masuki

      Univ of Tokyo

    • Takuya Nomoto

      University of Tokyo, The University of Tokyo, Univ of Tokyo

    • Ryotaro Arita

      Univ of Tokyo, Univ of Tokyo; RIKEN, Univ of Tokyo, RIKEN CEMS

    • Terumasa Tadano

      National Institute for Materials Science

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  • First-principles derivation of elastic interaction between Jahn-Teller centers in crystals via static lattice Green's functions

    ORAL

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    Publication: Z. Huang, N. Iwahara and L. F. Chibotaru, First-principles derivation of elastic interaction between Jahn-Teller centers in crystals via static lattice Green's functions, in preparation (2023)

    Presenters

    • Zhishuo Huang

      Department of Chemistry, National University of Singapore, Block S8 Level 3, 3 Science Drive 3, 117543, Singapore, Department of Chemistry, National University of Singapore, Block S8 Level 3, 3 Science Drive 3, Singapore 117543, Singapore

    Authors

    • Zhishuo Huang

      Department of Chemistry, National University of Singapore, Block S8 Level 3, 3 Science Drive 3, 117543, Singapore, Department of Chemistry, National University of Singapore, Block S8 Level 3, 3 Science Drive 3, Singapore 117543, Singapore

    • Naoya Iwahara

      Chiba University, Graduate School of Engineering, Chiba University, 1-33 Yayoi-cho, Inage-ku, Chiba 263-8522, Japan

    • Liviu Cibotaru

      Theory of Nanomaterials Group, KU Leuven, Celestijnenlaan 200F, B-3001 Leuven, Belgium

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  • Wave-like Tunneling of Phonons Dominates Glass-like Thermal Transport in Quasi-1D Copper Halide CsCu<sub>2</sub>I<sub>3</sub>

    ORAL

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    Presenters

    • Jiongzhi Zheng

      Dartmouth College

    Authors

    • Jiongzhi Zheng

      Dartmouth College

    • Changpeng Lin

      THEOS, EPFL; NCCR MARVEL, Ecole Polytechnique Federale de Lausanne

    • Baoling Huang

      the Hong Kong Univerisity of Science and Technology

    • Ruiqiang Guo

      Shandong Institute of Advanced Technology

    • Geoffroy Hautier

      Dartmouth College

    View abstract →