Anharmonic free energies and phonon dispersions from the self-consistent harmonic approximation
DIPC Seminars
- Speaker
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Ion Errea, Université Pierre et Marie Curie, Paris, France
- When
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2013/05/03
14:00 - Place
- Donostia International Physics Center (DIPC).Paseo Manuel de Lardizabal, 4 (nearby the Facultad de Quimica), Donostia
- Add to calendar
-
iCal
"Anharmonic free energies and phonon dispersions from the self-consistent
harmonic approximation"
Ion Errea
Université Pierre et Marie Curie, Paris, France
There are many systems of great relevance in condensed matter physics that
show strong anharmonic effects. All systems close to dynamical instabilities,
for example, cannot be described in the standard harmonic approximation that
describes atomic vibrations. Moreover, anharmonic effects might be so strong
that perturbation theory breaks down and the theoretical approach needs to go
beyond. Such a behavior can be found, for instance, in superconductors,
ferroelectrics and thermoelectrics. In this seminar I will present a method
that we have recently implemented able to calculate anharmonic free energies
and phonon dispersions from a variational principle based on the self-
consistent harmonic approximation. Finally, the application of the method in
palladium hydrides will be presented. It will be shown that huge anharmonic
effects induce the inverse isotope effect in superconducting palladium
hydrides.