In-silico synthesis of lowest-pressure high-T c ternary superhydrides

In-silico synthesis of lowest-pressure high-T c ternary superhydrides

Abstract We report the theoretical prediction of two high-performing hydride superconductors BaSiH8 and SrSiH8. They are thermodynamically stable above pressures of 130 and 174 GPa, respectively, and metastable below that. Employing anharmonic phonon calculations, we determine the minimum pressures...

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Bibliographic Details
Main Authors: Roman Lucrezi, Simone Di Cataldo, Wolfgang von der Linden, Lilia Boeri, Christoph Heil
Format: Article
Language:English
Published: Nature Portfolio 2022-05-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-022-00801-y

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https://doi.org/10.1038/s41524-022-00801-y

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