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, CeH4, CeH9, and CeH10, were found to be dynamically stable. Electron-phonon calculations coupled to Bardeen-Cooper-Schrieffer arguments indicate that they might be high-Tc superconductors. In particular, the maximum Tc values for F4¯3m-CeH9 and Fm3¯m-CeH10 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.