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

FOCUS · D58 · ID: 2155694

Presentations

  • Emergent Phenomena in the thermal-radiative response of vdW materials

    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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  • Phonon Self-Energy Corrections: To Screen, or Not to Screen

    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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  • All-functionals infrared and Raman spectroscopies, and their applications to materials design

    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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  • Elastic tensors from first principles: the Born perturbation expansion and long-range multipolar electrostatics

    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

    View abstract →

  • Phonon Linewidths in Twisted Bilayer Graphene near Magic Angle

    ORAL

    –

    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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  • An automated and accelerated computational framework to compute finite temperature properties including anharmonic effects in different property domains.

    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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