Quantum lattice dynamics and their importance in ternary superhydride clathrates

Abstract The quantum nature of the hydrogen lattice in superconducting hydrides can have crucial effects on the material’s properties. Taking a detailed look at the dynamic stability of the recently predicted BaSiH8 phase, we find that the inclusion of anharmonic quantum ionic effects leads to an in...

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Bibliographic Details
Main Authors: Roman Lucrezi, Eva Kogler, Simone Di Cataldo, Markus Aichhorn, Lilia Boeri, Christoph Heil
Format: Article
Language:English
Published: Nature Portfolio 2023-10-01
Series:Communications Physics
Online Access:https://doi.org/10.1038/s42005-023-01413-8