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High-Tc superconductivity above 130 K in cubic MH4 compounds at ambient pressure

X. Li, W. Xu, Z. Zhou, J. Shi, H. Liu, Y.-W. Fang, W. Cui, Y. Li, M. Marques

arXiv: 2511.04222, 1, 9, (2025)

DOI: 10.48550/arXiv.2511.04222

Download: BibTEX

Hydrides have long been considered promising candidates for achieving room-temperature superconductivity; however, the extremely high pressures typically required for high critical temperatures remain a major challenge in experiment. Here, we propose a class of high-Tc ambient-pressure superconductors with MH4 stoichiometry. These hydrogen-based compounds adopt the bcc PtHg4 structure type, in which hydrogen atoms occupy the one-quarter body-diagonal sites of metal lattices, with the metal atoms acting as chemical templates for hydrogen assembly. Through comprehensive first-principles calculations, we identify three promising superconductors, PtH4, AuH4 and PdH4, with superconducting critical temperatures of 84 K, 89 K, and 133 K, respectively, all surpassing the liquid-nitrogen temperature threshold of 77 K. The remarkable superconducting properties originate from strong electron-phonon coupling associated with hydrogen vibrations, which in turn arise from phonon softening in the mid-frequency range. Our results provide crucial insights into the design of high-Tc superconductors suitable for future experiments and applications at ambient pressure.

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{"type":"article", "name":"x.li202511", "author":"X. Li and W. Xu and Z. Zhou and J. Shi and H. Liu and Y.-W. Fang and W. Cui and Y. Li and M. Marques", "title":"HighTc superconductivity above 130 K in cubic MH4 compounds at ambient pressure", "journal":"arXiv: 2511.04222", "volume":"1", "OPTnumber":"", "OPTmonth":"11", "year":"2025", "OPTpages":"9", "OPTnote":"", "OPTkey":"", "DOI":"10.48550/arXiv.2511.04222"}
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