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 the non-adiabatic electron-phonon coupling and their influence on phonon spectra, and recent additions to that deal with nuclear quantum effects and efficient stochastic sampling.
*Supported by the EFRI program of the National Science foundation under Grant No.1433467, and by the S3TEC EFRC of the US DOE Office of Basic Energy Science under Award DESC0001299.
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Presenters
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Olle Hellman
- Department of Applied Physics and Materials Science, Caltech
- Linkoping University
- IFM, Linkoping University