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...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2022-05-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-022-00801-y |