Phonons at finite temperature

ORAL

Abstract

We present recent developments using the temperature dependent effective potential technique (TDEP) to model strongly non-harmonic materials. The method employs model Hamiltonians that explicitly depend on temperature. I will present applications pertaining to thermal conductivity, inelastic neutron spectra and phase stabilities. In addition, we investigate non-adiabatic electron-phonon coupling and its influence on phonon spectra, and recent additions to that deal with nuclear quantum effects and efficient stochastic sampling.

Presenters

  • Olle Hellman

    Linköping University, Division of Engineering and Applied Science, California Institute of Technology, Linkoping University

Authors

  • Olle Hellman

    Linköping University, Division of Engineering and Applied Science, California Institute of Technology, Linkoping University