Predicted high-temperature superconductivity in cerium hydrides at high pressures

Abstract

A systematic structure search in the Ce-H system under pressure reveals novel stable phases with intriguing electronic properties. Several cerium hydrides, CeH 4, CeH 9, and CeH 10, were found to be dynamically stable. Electron-phonon calculations coupled to Bardeen-Cooper-Schrieffer arguments indicate that they might be high- T c superconductors. In particular, the maximum T c values for F 4 ̄ 3 m-CeH 9 and F m 3 ̄ m-CeH 10 are 142 K and 168 K at 94 GPa. These findings may pave the way for achieving room temperature superconductors in dense hydrogen-rich compounds.