Superconductivity in CeBeH8and CeBH8at moderate pressures

J Phys Condens Matter. 2022 Oct 28;34(50). doi: 10.1088/1361-648X/ac9bbc.

Abstract

High-pressure structural searches of superhydrides CeBeH8and CeBH8were performed under ambient pressure up to 300 GPa. We identifyFm3‾m-CeBeH8with a superconducting transition temperatureTcof 56 K at 10 GPa. Two more phases with spacegroupR3‾mandC2/m, were investigated within the increasing pressures. CeBH8shows a similar phase transition process as CeBeH8but with higher transition pressures and higherTc.Fm3‾m-CeBH8is predicted to be superconducting above 120 GPa with a maximumTcof 118 K at 150 GPa.R3‾m-CeBH8andC2/m-CeBH8are dynamically stable above 120 GPa and 100 GPa, respectively. The maximumTcis 123 K at 195 GPa forR3‾m-CeBH8, and 115 K at 350 GPa forC2/m-CeBH8. Our work enriches the family of ternary hydrides and may provide a useful guideline for further search for superconducting hydrides at low and moderate pressures.

Keywords: high pressures; hydrides; superconductivity.