CrH: An Ambient-Pressure Cubic Hydride with Superconductivity and Nontrivial Band Topology

In recent years, metal hydride superconductors have attracted extensive attention. However, most hydride superconductors exhibit superconductivity only under high pressure. Therefore, achieving superconductivity in metal hydrides at low or even ambient pressures has drawn considerable attention. Here, based on first-principles calculations, we systematically investigate the electronic, topological, and superconducting properties of three-dimensional (3D) transition metal cubic hydride CrH. The calculated superconducting transition temperature (Tc) is 13.3 K, which primarily originates from the coupling between the d-orbital electrons of Cr and the low-frequency phonon modes softened by Cr–H vibrations. In addition, CrH exhibits a nontrivial band topology. The predicted CrH enriches the family of metal hydride superconductors and provides an important platform for studying the physical properties of metal hydrides under ambient conditions.