Response at finite temperature

ORAL

Abstract

We present recent developments using the temperature dependent effective potential technique (TDEP) to model vibrational properties of materials. The technique relies on explicitly temperature-dependent model Hamiltonians to capture all orders of non-harmonic effects. Recent developments include determination of high order Raman spectra, IR absorbtion, and thermal transport based on Green-Kubo formalism in contrast with the more established Boltzmann transport. In addition, we will present a generalisation of the TDEP technique to magnetic systems.

Presenters

  • Olle Hellman

    Linkoping University, Weizmann Institute of Science

Authors

  • Olle Hellman

    Linkoping University, Weizmann Institute of Science