APS Logo

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

FOCUS · Q48 · ID: 47267

Presentations

  • Chiral phonons in time reversal broken systems from first principles

    ORAL

    –

    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

    View abstract →

  • Assessing Temperature Dependence of Band Gap Renormalization in LaCrO<sub>3−δ</sub> via First-Principles and Experimental Corroboration

    ORAL

    –

    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.<br>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

    View abstract →

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

    ORAL

    –

    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

    View abstract →

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

    ORAL

    –

    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

    View abstract →

  • Towards a fully electromagnetic control of the heat flux

    ORAL · Invited

    –

    Publication: M. Royo, C. Escorihuela-Sayalero, J. Íñiguez, and R. Rurali, Phys. Rev. Materials 1, 051402(R) (2017)<br>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)<br>J. A. Seijas-Bellido, H. Aramberri, J. Íñiguez, and R. Rurali, Phys. Rev. B 97, 184306 (2018)<br>P. Torres, J. Íñiguez, and R. Rurali, Phys. Rev. Lett. 123, 185901 (2019)<br>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

    View abstract →

  • Harnessing modulated electrons to probe light-matter strong coupling

    ORAL

    –

    Publication: We have two planned papers steming from this work:<br>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

    View abstract →

  • Automated computation of phonon-limited carrier mobilities in semiconductors

    ORAL

    –

    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

    View abstract →

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

    ORAL

    –

    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

    View abstract →

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

    ORAL

    –

    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

    View abstract →

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

    ORAL

    –

    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

    View abstract →