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Actinium hydrides AcH10, AcH12, AcH16 as high-temperature conventional superconductors

2018/02/15 by Dmitrii V. Semenok, Alexander G. Kvashnin, Ivan A. Kruglov +1 · 2 citations
Chemistry · Earth and Planetary Sciences · Physics and Astronomy · #Advanced Chemical Physics Studies #High-pressure geophysics and materials #Inorganic Fluorides and Related Compounds #cond-mat.supr-con

paper · pdf · doi:10.1021/acs.jpclett.8b00615

arxiv created 2018/02/15 · openalex publication_date 2018/03/28 · arxiv updated 2018/08/07 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/01

Abstract

Stability of numerous unexpected actinium hydrides was predicted via evolutionary algorithm USPEX. Electron-phonon interaction was investigated for the hydrogen-richest and most symmetric phases: R3m-AcH10, I4/mmm-AcH12 and P6m2-AcH16. Predicted structures of actinium hydrides are consistent with all previously studied Ac-H phases and demonstrate phonon-mediated high-temperature superconductivity with Tc in the range 204-251 K for R3m-AcH10 at 200 GPa and 199-241 K for P6m2-AcH16 at 150 GPa which was estimated by directly solving of Eliashberg equation. Actinium belongs to the series of d1-elements (Sc-Y-La-Ac) that form high-Tc superconducting (HTSC) hydrides. Combining this observation with p0-HTSC hydrides (MgH6 and CaH6), we propose that p0- and d1-atoms with low-lying empty orbitals tend to form phonon-mediated HTSC metal polyhydrides.

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