Computational design of electride superconductors at high pressures
Xiaohua Zhang, Toshu An, Guochun Yang
Abstract
Superconductivity , a phenomenon with wide-ranging practical applications and theoretical significance, has led to ongoing research for novel superconducting materials . Among these, electrides have garnered significant attention due to their unique structures, characterized by interstitial anionic electrons (IAEs) that reside in the voids of the crystal lattice . These IAEs play a key role in determining the electronic properties of electrides, positioning them as promising candidates for superconductivity. In this review, we present a comprehensive overview of the recent advancements in electride superconductors , particularly those driven by theoretical calculations. We emphasize their crystal structures, IAEs topologies, and superconducting transition temperatures, with a specific focus on the role of IAEs in electron-phonon coupling, a key mechanism driving superconductivity. Finally, we discuss the challenges, opportunities, and future directions for the development of high-pressure electride superconductors.