Phonnier: Wannier and Long-Range Interactions for Phonons
ORAL
Abstract
In this work, we present Phonnier: a code that simulates phonon systems using a tight-binding model within the Wannier functions formalism.
We address the challenge of long-range interactions in phonon simulations and showcase calculations for different systems where LO-TO splitting may play a significant role in their band structure, propperties and surface states.
We address the challenge of long-range interactions in phonon simulations and showcase calculations for different systems where LO-TO splitting may play a significant role in their band structure, propperties and surface states.
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Publication: In preparation
Presenters
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Francesc Ballester
DIPC & UPV/EHU
Authors
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Francesc Ballester
DIPC & UPV/EHU
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Ion Errea
University of the Basque Country UPV/EHU
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Maia G Garcia Vergniory
Donostia International Physics Center, Université de Sherbrooke, Max Planck Inst