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High-temperature superconductivity in Li2AuH6 mediated by strong electron-phonon coupling under ambient pressure

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High-temperature superconductivity in Li2AuH6 mediated by strong electron-phonon coupling under ambient pressure 论文配图

Zhenfeng Ouyang, Bo-Wen Yao, Xiao-Qi Han, Peng-Jie Guo, Ze-Feng Gao#, Zhong-Yi Lu#

Physical Review B, 111(14): L140501, 2025

摘要

We used our developed AI search engine~(InvDesFlow) to perform extensive investigations regarding ambient stable superconducting hydrides. A cubic structure Li2AuH6 with Au-H octahedral motifs is identified to be a candidate. After performing thermodynamical analysis, we provide a feasible route to experimentally synthesize this material via the known LiAu and LiH compounds under ambient pressure. The further first-principles calculations suggest that Li2AuH6 shows a high superconducting transition temperature (Tc) ∼ 140 K under ambient pressure.