Many-Body Correlation Effects in Fröhlich Electron-Phonon Coupling

ORAL

Abstract

In compound semiconductors and insulators, the polar electron-phonon coupling diverges at long range, known as the Fröhlich interaction. Modern first-principles electron-phonon calculations treat the Fröhlich interaction in a mean-field electrostatic formalism based on density-functional perturbation theory. Here, using many-body GW perturbation theory , we reveal important electron correlation effects in the Fröhlich-type electron-phonon coupling, which are missed by the prevailing approaches. Going beyond the electrostatic treatment, we derive and implement the GW self-energy contribution to the long-range polar electron-phonon coupling, and demonstrate its critical role and nontrivial behaviors in properties such as electron linewidth and polaron formation. Our work establishes the many-body generalization of the Fröhlich interaction that is essential for accurate electron-phonon calculations at the full GW level combined with Wannier interpolation techniques.

*This work is primarily supported by US NSF under grant number DMR-2440763. Computational resources were provided by Frontera at Texas Advanced Computing Center, and Frontier at the Oak Ridge Leadership Computing Facility.

Presenters

  • Zien Zhu

    • University of Southern California

Authors

  • Zien Zhu

    • University of Southern California
  • Chih En Hsu

    • Univeristy of Southern California
    • University of Southern California
  • Benran Zhang

    • University of Southern California
  • Zhenfa Zheng

    • University of Southern California
  • Mauro Del Ben

    • Lawrence Berkeley National Laboratory
  • Antonios M Alvertis

    • UT Austin
  • Zhenglu Li

    • University of Southern California