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

FOCUS · D58 · ID: 2155694

Presentations

  • ORAL · Invited

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    Publication: [-] C. Elias, et al. Flat bands and giant light-matter interaction in hexagonal boron nitride PRL 127 (13), 137401 (2021).
    [-] G. Cassabois et al. Superradiance of optical phonons in two-dimensional materials Phys Rev. Research 4 (3), L032040 (2022)
    [-] G. Cassabois et al Exciton and phonon radiative linewidths in monolayer boron nitride PRX 12 (1), 011057 (2022)

    Presenters

    • Giorgia Fugallo

      • CNRS - University of Nantes

    Authors

    • Giorgia Fugallo

      • CNRS - University of Nantes

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  • ORAL

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    Publication: J. Berges, N. Girotto, T. Wehling, N. Marzari, and S. Poncé, Phonon self-energy corrections: To screen, or not to screen, Physical Review X 13, 041009 (2023)

    Presenters

    • Samuel Poncé

      • UCLouvain
      • UCLouvain; WEL Research Institute
      • European Theoretical Spectroscopy Facility, Institute of Condensed Matter and Nanosciences, Université catholique de Louvain, 1348 Louvain-la-Neuve, Belgium

    Authors

    • Jan Berges

      • U Bremen Excellence Chair, Bremen Center for Computational Materials Science, and MAPEX Center for Materials and Processes, University of Bremen, 28359 Bremen, Germany

    • Nina Girotto

      • Institute of Physics, 10000 Zagreb, Croatia

    • Tim Wehling

      • University of Hamburg
      • University Hamburg
      • Institute of Theoretical Physics, University of Hamburg, 22607 Hamburg, Germany
      • Universität Hamburg

    • Nicola Marzari

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

    • Samuel Poncé

      • UCLouvain
      • UCLouvain; WEL Research Institute
      • European Theoretical Spectroscopy Facility, Institute of Condensed Matter and Nanosciences, Université catholique de Louvain, 1348 Louvain-la-Neuve, Belgium

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  • ORAL

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    Publication: L. Bastonero and N. Marzari, Automated all-functionals infrared and Raman spectra, arXiv:2308.04308 (preprint)
    G. Gebreyesus, L. Bastonero, M. Kotiuga, N. Marzari, I. Timrov, Understanding the role of Hubbard corrections in the rhombohedral phase of BaTiO, arXiv:2309.04348 (preprint)
    A. Pazhedath, L. Bastonero, N. Marzari, M. Simoncelli, First-principles characterization of thermal conductivity in LaPO4-based alloys, arXiv:2309.10789 (preprint)

    Presenters

    • Lorenzo Bastonero

      • University of Bremen

    Authors

    • Lorenzo Bastonero

      • University of Bremen

    • Nicola Marzari

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

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  • ORAL

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    Publication: Changpeng Lin, Francesco Macheda, Samuel Poncé, Francesco Mauri and Nicola Marzari, Elastic tensors from first principles: the Born perturbation expansion and long-range multipolar electrostatics, to be submitted.

    Presenters

    • Changpeng Lin

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

    Authors

    • Changpeng Lin

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

    • Francesco Macheda

      • Istituto italiano di tecnologia
      • Sapienza University of Rome; Istituto italiano di tecnologia

    • Samuel Poncé

      • UCLouvain
      • UCLouvain; WEL Research Institute
      • European Theoretical Spectroscopy Facility, Institute of Condensed Matter and Nanosciences, Université catholique de Louvain, 1348 Louvain-la-Neuve, Belgium

    • Francesco Mauri

      • Univ of Rome La Sapienza
      • Sapienza, University of Rome
      • Sapienza University of Rome; Istituto italiano di tecnologia

    • Nicola Marzari

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

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  • ORAL

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    Presenters

    • Shinjan Mandal

      • Indian Institute of Science
      • Indian Institute of Science Bangalore

    Authors

    • Shinjan Mandal

      • Indian Institute of Science
      • Indian Institute of Science Bangalore

    • Indrajit Maity

      • Imperial College London

    • Hulikal R Krishnamurthy

      • Indian Institute of Science Bangalore

    • Manish Jain

      • Indian Institute of Science Bangalore

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  • ORAL

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    Publication: 1) E. Fransson, F. Eriksson and P. Erhart , npj Computational Materials vol. 6, 135 (2020)
    2) P. Nath, J. J. Plata, J. S. Andreo, E. J. Blancas, A. M. Márquez, and, J. F. Sanz, ACS Appl. Mater. Interfaces, vol. 13(25), 2021, pp. 29843–29857
    3) P. Nath, D. Usanmaz, D. Hicks, C. Oses, M. Fornari, M. B. Nardelli, C. Toher, S. Curtarolo, Phys. Rev. Materials, vol. 3, 2019, p. 073801

    Presenters

    • pinku nath

      • Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Sapporo 001-0021, Japan

    Authors

    • pinku nath

      • Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Sapporo 001-0021, Japan

    • Masaharu Yoshioka

      • Graduate School of Information Science and Technology, Hokkaido University, Kita 14, Nishi 9, Kita-ku, Sapporo, Hokkaido, 060-0814, Japan

    • Jose J Plata

      • University of Seville
      • Departamento de Química Física, Facultad de Química, Universidad de Sevilla, Seville 41012, Spain

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