Electrons, Phonons, Electron-Phonon Scattering and Phononics IV

Presentations

• Theory of non-linear electron-phonon coupling and its first-principles implementation

  ORAL · Invited

  March 7, 2023, 2:30 PM – March 7, 2023, 3:06 PM

  Presenters

  • Ion Errea

    University of the Basque Country UPV/EH, Centro de Física de Materiales (CSIC-UPV/EHU)

  Authors

  • Ion Errea

    University of the Basque Country UPV/EH, Centro de Física de Materiales (CSIC-UPV/EHU)

  • Raffaello Bianco

    Institut Ruder Boškovic (Croatia), Institut Ruder Boskovic

  View abstract →

• Electron-phonon Renormalization of the Band Gaps of Solids from Wannier-localized Optimally Tuned Screened Range-Separated Hybrid Functionals

  ORAL

  March 7, 2023, 3:06 PM – March 7, 2023, 3:18 PM

  Presenters

  • Stephen E Gant

    University of California, Berkeley

  Authors

  • Stephen E Gant

    University of California, Berkeley

  • Guy Ohad

    Weizmann Institute of Science

  • Francesco Ricci

    Lawrence Berkeley National Laboratory

  • Maria Camarasa Gomez

    Weizmann Institute of Science

  • Jonah B Haber

    University of California, Berkeley, Materials Sciences Division, Lawrence Berkeley National Laboratory, Lawrence Berkeley National Laboratory

  • Leeor Kronik

    Weizmann Institute of Science

  • Bartomeu Monserrat

    University of Cambridge, Univ of Cambridge

  • Jeffrey B Neaton

    Lawrence Berkeley National Laboratory, University of California, Berkeley, Department of Physics, University of California, Berkeley; Materials Sciences Division, Lawrence Berkeley National Laboratory; Kavli Energy NanoScience Institute at Berkeley

  View abstract →

• Nonuniform grids for Brillouin zone integration and interpolation

  ORAL

  March 7, 2023, 3:18 PM – March 7, 2023, 3:30 PM

  Publication: https://journals.aps.org/prb/abstract/10.1103/PhysRevB.106.155102

  Presenters

  • Siyu Chen

    Cavendish Laboratory

  Authors

  • Siyu Chen

    Cavendish Laboratory

  • Pascal T Salzbrenner

    Department of Materials Science and Metallurgy, University of Cambridge

  • Bartomeu Monserrat

    University of Cambridge, Univ of Cambridge

  View abstract →

• Anisotropic Migdal-Eliashberg analysis of superconductivity in layered Li-Mg-B compounds

  ORAL

  March 7, 2023, 3:30 PM – March 7, 2023, 3:42 PM

  Publication: G. P. Kafle, C. R. Tomassetti, I. I. Mazin, A. N. Kolmogorov, and E. R. Margine, Ab Initio Study of Li-Mg-B Superconductors, Physical Review Materials 6, 084801 (2022).

  Presenters

  • Gyanu P Kafle

    Binghamton University

  Authors

  • Gyanu P Kafle

    Binghamton University

  • Charlsey Tomassetti

    Binghamton University

  • Igor I Mazin

    George Mason University, Department of Physics and Astronomy, George Mason University; Quantum Science and Engineering Center, George Mason University

  • Aleksey Kolmogorov

    Binghamton University

  • Elena R Margine

    Binghamton University

  View abstract →

• Calculating Temperature-Dependent Electronic Structure of Semiconductors using a Dynamic Tight-Binding Model

  ORAL

  March 7, 2023, 3:42 PM – March 7, 2023, 3:54 PM

  Presenters

  • Martin Schwade

    Department of Physics, Technical University of Munich

  Authors

  • Martin Schwade

    Department of Physics, Technical University of Munich

  • Maximilian J Schilcher

    Department of Physics, Technical University of Munich

  • David A Egger

    Technical University of Munich, Department of Physics, Technical University of Munich

  View abstract →

• Efficient Migdal-Eliashberg calculations with Intermediate Representation basis using the EPW code

  ORAL

  March 7, 2023, 3:54 PM – March 7, 2023, 4:06 PM

  Presenters

  • Hitoshi Mori

    Binghamton University

  Authors

  • Hitoshi Mori

    Binghamton University

  • Tianchun Wang

    University of Tokyo

  • Ming-Chun Jiang

    Natl Taiwan Univ, RIKEN CEMS, RIKEN, Center of Emergent Matter Science

  • Takuya Nomoto

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

  • Ryotaro Arita

    The University of Tokyo, Univ of Tokyo, Univ of Tokyo, RIKEN CEMS, University of Tokyo, the University of Tokyo

  • Elena R Margine

    Binghamton University

  View abstract →

• Differential Formalism of Power Series Correction for Single particle Electron Green's Function: Applications to 1D Holstein Chain.

  ORAL

  March 7, 2023, 4:06 PM – March 7, 2023, 4:18 PM

  Publication: - B. Pandey and P.B. Littlewood, Phys. Rev. Lett. 129, 136401<br><br>-Planned Paper: Differential Formalism of Power Series Formalism: Application to 1D Holstein chain.

  Presenters

  • Bipul Pandey

    University of Chicago

  Authors

  • Bipul Pandey

    University of Chicago

  • Peter Littlewood

    University of Chicago, University of Chicago, Argonne National Laboratory

  View abstract →

• Efficient compression of first-principles electron-phonon interactions

  ORAL

  March 7, 2023, 4:18 PM – March 7, 2023, 4:30 PM

  Presenters

  • Yao Luo

    Caltech

  Authors

  • Yao Luo

    Caltech

  • Jinsoo Park

    Caltech, California Institute of Technology

  • Dhruv C Desai

    Caltech

  • Marco Bernardi

    Caltech, California Institute of Technology

  View abstract →

• Ab initio investigations of optical properties of MgS and CaS beyond the harmonic approximation.

  ORAL

  March 7, 2023, 4:30 PM – March 7, 2023, 4:42 PM

  Presenters

  • Maribel Núñez-Valdez

    Goethe University Frankfurt/Helmholtz Zentrum Potsdam (GFZ)

  Authors

  • Maribel Núñez-Valdez

    Goethe University Frankfurt/Helmholtz Zentrum Potsdam (GFZ)

  • Artem Chmeruk

    Goethe University Frankfurt/Helmholtz Zentrum Potsdam (GFZ)

  View abstract →

• Anomalous pressure dependence of lattice dynamics in PbTe: a simulation study

  ORAL

  March 7, 2023, 4:42 PM – March 7, 2023, 4:54 PM

  Presenters

  • Ruihuan Cheng

    The University of Hong Kong

  Authors

  • Ruihuan Cheng

    The University of Hong Kong

  • Yue Chen

    The University of Hong Kong

  View abstract →

• Efficient full relaxation of crystal structures with quasiharmonic approximation: Application to pyroelectricity of GaN and ZnO

  ORAL

  March 7, 2023, 4:54 PM – March 7, 2023, 5:06 PM

  Presenters

  • Ryota Masuki

    Univ of Tokyo

  Authors

  • Ryota Masuki

    Univ of Tokyo

  • Takuya Nomoto

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

  • Ryotaro Arita

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

  • Terumasa Tadano

    CMSM NIMS, Research Center for Magnetic and Spintronic Materials, National Institute for Materials Science (NIMS)

  View abstract →

• Anderson localization of phonons in multi-branch mass-disordered systems

  ORAL

  March 7, 2023, 5:06 PM – March 7, 2023, 5:18 PM

  Presenters

  • Wasim R Mondal

    Middle Tennessee State University

  Authors

  • Wasim R Mondal

    Middle Tennessee State University

  • Yi Zhang

    Shanghai University

  • Tom Berlijn

    Oak Ridge National Laboratory, ORNL

  • N. S. Vidhyadhiraja

    Jawaharlal Nehru Centre For Advanced Scientific Research

  • Hanna Terletska

    Middle Tennessee State University

  View abstract →

• Pair distribution function analysis of CoZr₂-structure alloys

  ORAL

  March 7, 2023, 5:18 PM – March 7, 2023, 5:30 PM

  Presenters

  • John A Schneeloch

    University of Virginia

  Authors

  • John A Schneeloch

    University of Virginia

  • Despina A Louca

    Univ of Virginia, University of Virginia

  • Yoshikazu Mizuguchi

    Tokyo Metropolitan University

  • Yuto Watanabe

    Tokyo Metropolitan University

  View abstract →