Theoretical investigation of superconductivity in quaternary double perovskite hydrides at moderate pressure
Phys. Rev. B 112, 174508 – Published 7 November, 2025
DOI: https://doi.org/10.1103/2l5v-x76p
Abstract
Recently, perovskite hydrides have received great attention due to their excellent superconductivity at moderate pressures. Based on perovskite structure , a series of quaternary double perovskite hydrides were designed. High-throughput screening show that 27 compounds are dynamically stable below 50 GPa. Double perovskite hydrides which are dynamically stable at moderate pressures are all superconductors. Four hydrides exhibit high-temperature superconductivity, including (92 K at 0 GPa), (108 K at 6 GPa), (82 K at 20 GPa), and (104 K at 20 GPa). Additionally, has a superconducting of 75 K, which is approaching liquid nitrogen temperature. The flat band of at Γ point is governed by and orbitals hybridization. Further analysis indicates that there is strong coupling between electrons and hydrogen-dominated optical phonons. This strong electron-phonon coupling (EPC) plays a critical role in high-temperature superconductivity for . Our results enhance confidence in the exploration of high-temperature superconducting perovskite hydrides at moderate pressure, and stimulates further exploration of quaternary superconducting hydrides.