Superconducting ternary hydrides in Ca-U-H under high pressure
Juefei Wu,
Bangshuai Zhu,
Chi Ding
et al.
Abstract:The research on hydrogen-rich ternary compounds attract tremendous attention for it paves new route to room-temperature superconductivity at lower pressures. Here, we study the crystal structures, electronic structures, and superconducting properties of the ternary Ca-U-H system, combining crystal structure predictions with ab-initio calculations under high pressure. We found four dynamically stable structures with hydrogen clathrate cages: CaUH12-Cmmm, CaUH12-Fd-3m, Ca2UH18-P-3m1, and CaU3H32-Pm-3m. Among the… Show more
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