Title: GW Self-Energy Effect in the Long-Range Fröhlich Interaction in Polar MaterialsOral: GW Self-Energy Effect in the Long-Range Fröhlich Interaction in Polar Materials
ORAL
Abstract
The Fröhlich interaction, arising from the macroscopic electric fields induced by longitudinal optical (LO) phonons of long wavelengths, plays a crucial role in the electron-phonon interactions in polar materials. The Fröhlich interaction is typically considered with a classical electrostatic treatment when Wannier interpolation is utilized in the interpolation of electron-phonon coupling [1,2]. In this talk, using the linear-response GW perturbation theory (GWPT) [3], we investigate the GW self-energy effects in the long-range Fröhlich interaction, taking SiC as a model system. We also discuss the implications on combining the Wannier interpolation with GWPT for applications in polar materials.
[1] Sjakste J, Vast N, Calandra M, et al. PRB 92(5), 054307 (2015)
[2] Verdi C, Giustino F., PRL 115(17), 176401 (2015)
[3] Z. Li, G. Antonius, M. Wu, F. H. da Jornada, S. G. Louie, PRL 122, 186402 (2019)
[1] Sjakste J, Vast N, Calandra M, et al. PRB 92(5), 054307 (2015)
[2] Verdi C, Giustino F., PRL 115(17), 176401 (2015)
[3] Z. Li, G. Antonius, M. Wu, F. H. da Jornada, S. G. Louie, PRL 122, 186402 (2019)
*Computational resources were provided by Frontera at Texas Advanced Computing Center, and Frontier at the Oak Ridge Leadership Computing Facility.
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Presenters
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Zien Zhu
- University of Southern California