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.
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Presenters
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Olle Hellman
Linkoping University, Weizmann Institute of Science
Authors
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Olle Hellman
Linkoping University, Weizmann Institute of Science