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Layered Hydride LiH 4 with a Pressure-Insensitive Superconductivity.

Xing LiZixuan GuoXiaohua ZhangGuochun Yang
Published in: Inorganic chemistry (2024)
For hydride superconductors, each significant advance is built upon the discovery of novel H-based structural units, which in turn push the understanding of the superconducting mechanism to new heights. Based on first-principles calculations, we propose a metastable LiH 4 with a wavy H layer composed of the edge-sharing pea-like H 18 rings at high pressures. Unexpectedly, it exhibits pressure-insensitive superconductivity manifested by an extremely small pressure coefficient (d T c /d P ) of 0.04 K/GPa. This feature is attributed to the slightly weakened electron-phonon coupling with pressure, caused by the reduced charge transfer from Li atoms to wavy H layers, significantly suppressing the substantial increase in the contribution of phonons to T c . Its superconductivity originates from the strong coupling between the H 1s electrons and the high-frequency phonons associated with the H layer. Our study extends the list of H-based structural units and enhances the in-depth understanding of pressure-related superconductivity.
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