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

Presentations

• Chiral phonons in time reversal broken systems from first principles

  ORAL

  March 16, 2022, 3:00 PM – March 16, 2022, 3:12 PM

  Presenters

  • John R Bonini

    • Simons Foundation

  Authors

  • John R Bonini

    • Simons Foundation

  • Cyrus E Dreyer

    • Department of Physics and Astronomy, Stony Brook University, and CCQ Flatiron Institute
    • Stony Brook University (SUNY)
    • State Univ of NY - Stony Brook

  • Sinisa Coh

    • University of California, Riverside

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• Precisely and efficiently computing phonons via irreducible derivatives: characterizing soft modes

  ORAL

  March 16, 2022, 3:12 PM – March 16, 2022, 3:24 PM

  Presenters

  • Sasaank Bandi

    • Columbia University

  Authors

  • Sasaank Bandi

    • Columbia University

  • Chris Marianetti

    • Columbia Univ
    • Columbia University

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• Assessing Temperature Dependence of Band Gap Renormalization in LaCrO_3−δ via First-Principles and Experimental Corroboration

  ORAL

  March 16, 2022, 3:24 PM – March 16, 2022, 3:36 PM

  Publication: Jongwoo Park, Wissam A. Saidi, Jeffrey K. Wuenschell, Bret H. Howard, Benjamin Chorpening, Yuhua Duan, ″Assessing the Effects of Temperature and Oxygen Vacancy on Band Gap Renormalization in LaCrO3-δ: First-Principles and Experimental Corroboration″, ACS Applied Materials & Interfaces, 13 (2021) 17717-17725.
  Jongwoo Park, Wissam A. Saidi, Benjamin Chorpening, Yuhua Duan, ″Quantifying Temperature Dependence of Electronic Band Gaps and Optical Properties in SnO2 and SnO via First-Principles Simulations″, The Journal of Physical Chemistry C, 125 (2021) 22231-22238.

  Presenters

  • Jongwoo Park

    • National Energy Technology Laboratory, US DOE

  Authors

  • Jongwoo Park

    • National Energy Technology Laboratory, US DOE

  • Jeffrey K Wuenschell

    • National Energy Technology Laboratory, US DOE

  • Benjamin Chorpening

    • National Energy Technology Laboratory, US DOE

  • Wissam A Saidi

    • University of Pittsburgh

  • Yuhua Duan

    • Natl Energy Technology Lab
    • National Energy Technology Laboratory, 626 Cochrans Mill Road, P.O. Box 10940, Pittsburgh, PA 15236-0940, USA
    • National Energy Technology Laboratory, US DOE

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• Sub-Planckian electron diffusion in a model of ultrastrong electron-phonon coupling

  ORAL

  March 16, 2022, 3:36 PM – March 16, 2022, 3:48 PM

  Presenters

  • Calvin Pozderac

    • Ohio State University

  Authors

  • Calvin Pozderac

    • Ohio State University

  • Brian Skinner

    • Ohio State Univ - Columbus
    • Department of Physics, The Ohio State University, Columbus, Ohio

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• Impact of the transport formalism on the phonon-limited carrier mobilities in semiconductors

  ORAL

  March 16, 2022, 3:48 PM – March 16, 2022, 4:00 PM

  Presenters

  • Romain Claes

    • Université catholique de Louvain
    • UCLouvain

  Authors

  • Romain Claes

    • Université catholique de Louvain
    • UCLouvain

  • Guillaume Brunin

    • Universite catholique de Louvain

  • Matteo Giantomassi

    • Université catholique de Louvain
    • Université Catholique de Louvain

  • Gian-Marco Rignanese

    • Universite catholique de Louvain

  • Geoffroy Hautier

    • Dartmouth College

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• Electronic transport properties from first-principles beyond the Boltzmann equation

  ORAL

  March 16, 2022, 4:00 PM – March 16, 2022, 4:12 PM

  Publication: A. Cepellotti & B. Kozinsky, Interband tunneling effects on materials transport properties using the first principles Wigner distribution, Mater. Today Phys. 19, 100412, (2021)

  Presenters

  • Andrea Cepellotti

    • Harvard University

  Authors

  • Andrea Cepellotti

    • Harvard University

  • Jennifer Coulter

    • Harvard University

  • Anders Johansson

    • Harvard University

  • Natalya S Fedorova

    • Luxembourg Inst of Science and Technolog
    • Luxembourg Institute of Science and Technology

  • Boris Kozinsky

    • Harvard University

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• Towards a fully electromagnetic control of the heat flux

  ORAL · Invited

  March 16, 2022, 4:12 PM – March 16, 2022, 4:48 PM

  Publication: M. Royo, C. Escorihuela-Sayalero, J. Íñiguez, and R. Rurali, Phys. Rev. Materials 1, 051402(R) (2017)
  J. A. Seijas-Bellido, C. Escorihuela-Sayalero, M. Royo, M. P. Ljungberg, J. C. Wojdeł, J. Íñiguez, and R. Rurali, Phys. Rev. B 96, 140101(R) (2017)
  J. A. Seijas-Bellido, H. Aramberri, J. Íñiguez, and R. Rurali, Phys. Rev. B 97, 184306 (2018)
  P. Torres, J. Íñiguez, and R. Rurali, Phys. Rev. Lett. 123, 185901 (2019)
  C. Cazorla and R. Rurali, Dynamical tuning of the thermal conductivity via magnetophononic effects, submitted.

  Presenters

  • Riccardo Rurali

    • Institut de Ciencia de Materials de Barc

  Authors

  • Riccardo Rurali

    • Institut de Ciencia de Materials de Barc

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• Harnessing modulated electrons to probe light-matter strong coupling

  ORAL

  March 16, 2022, 4:48 PM – March 16, 2022, 5:00 PM

  Publication: We have two planned papers steming from this work:
  The theoretical foundations of the general framework that we have developed and the application to the system that we intend to present at the conference. We cannot yet provide a name for the papers.

  Presenters

  • Jaime Abad-Arredondo

    • Universidad Autónoma de Madrid

  Authors

  • Jaime Abad-Arredondo

    • Universidad Autónoma de Madrid

  • Francisco José García Vidal

    • Universidad Autónoma de Madrid

  • Antonio I Fernández-Dominguez

    • Universidad Autónoma de Madrid

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• Automated computation of phonon-limited carrier mobilities in semiconductors

  ORAL

  March 16, 2022, 5:00 PM – March 16, 2022, 5:12 PM

  Presenters

  • Guillaume Brunin

    • Universite catholique de Louvain

  Authors

  • Guillaume Brunin

    • Universite catholique de Louvain

  • Romain Claes

    • Université catholique de Louvain
    • UCLouvain

  • Matteo Giantomassi

    • Université catholique de Louvain
    • Université Catholique de Louvain

  • Gian-Marco Rignanese

    • Universite catholique de Louvain

  • Geoffroy Hautier

    • Dartmouth College

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• Magnetotransport in semiconductors and two-dimensional materials from first-principles

  ORAL

  March 16, 2022, 5:12 PM – March 16, 2022, 5:24 PM

  Publication: [1] D. C. Desai, B. Zviazhynski, J.-J. Zhou, and M. Bernardi, Phys. Rev. B 103, L161103 (2021).

  Presenters

  • Dhruv C Desai

    • Department of Applied Physics and Materials Science, California Institute of Technology

  Authors

  • Dhruv C Desai

    • Department of Applied Physics and Materials Science, California Institute of Technology

  • Bahdan Zviazhynski

    • Trinity College, University of Cambridge

  • Jin-Jian Zhou

    • School of Physics, Beijing Institute of Technology
    • Department of Applied Physics and Materials Science, California Institute of Technology
    • Caltech

  • Marco Bernardi

    • Department of Applied Physics and Materials Science, California Institute of Technology
    • Caltech
    • Department of Applied Physics and Materials Science, California Institute of Technology, Pasadena, CA 91125, USA

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• Breakdown of LO-TO polar splitting in 1D materials and its application to nanowires and nanotubes

  ORAL

  March 16, 2022, 5:24 PM – March 16, 2022, 5:36 PM

  Publication: [1] T. Sohier, M. Gibertini, M. Calandra, F. Mauri, and N. Marzari, Nano Lett. 17, 3758 (2017).

  Presenters

  • Norma Rivano

    • Ecole Polytechnique Federale de Lausanne

  Authors

  • Norma Rivano

    • Ecole Polytechnique Federale de Lausanne

  • Nicola Marzari

    • Ecole Polytechnique Federale de Lausanne
    • Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne

  • Thibault Sohier

    • University of Liège
    • University of Liege

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• Machine Learning aided Phonon Anarmonicity: the Soft Mode in the Quantum Paraelectric KTaO3

  ORAL

  March 16, 2022, 5:36 PM – March 16, 2022, 5:48 PM

  Presenters

  • Luigi Ranalli

    • Univ of Vienna

  Authors

  • Luigi Ranalli

    • Univ of Vienna

  • Carla Verdi

    • Univ of Vienna
    • University of Vienna

  • Lorenzo Monacelli

    • Università di Roma

  • Georg Kresse

    • Univ of Vienna
    • University of Vienna

  • Matteo Calandra

    • Univ of Trento
    • University of Trento

  • Cesare Franchini

    • University of Vienna
    • Univ of Vienna
    • Univ of Vienna, Univ of Bologna
    • Universita' di Bologna & University of Vienna
    • University of Vienna, A-1090 Vienna, Austria, Alma Mater Studiorum–Università di Bologna, Bologna, 40127, Italy

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