High‐Temperature Superconductivity in Perovskite Hydride Below 10 GPa

Abstract

Abstract Hydrogen and hydride materials have long been considered promising materials for high‐temperature superconductivity. However, the extreme pressures required for the metallization of hydrogen‐based superconductors limit their applications. Here, a series of high‐temperature perovskite hydrides is designed that can be stable within 10 GPa. The research covered 182 ternary systems and ultimately determined that eight new compounds are stable within 20 GPa, of which five exhibited superconducting transition temperatures exceeding 120 K within 10 GPa, including KGaH3 (146 K at 10 GPa), RbInH3 (130 K at 6 GPa), CsInH3 (153 K at 9 GPa), RbTlH3 (170 K at 4 GPa) and CsTlH3 (163 K at 7 GPa). Excitingly, KGaH3 and RbGaH3 are thermodynamically stable at 50 GPa. Among these perovskite hydrides, alkali metals are responsible for providing a fixed amount of charge and supporting alloy framework composed of hydrogen and IIIA group elements to maintain stable crystal structure, while the cubic hydrogen alloy framework formed by IIIA group elements and hydrogen is crucial for high‐temperature superconductivity. This work will inspire further experimental exploration and take an important step in the exploration of low‐pressure stable high‐temperature superconductors.

Keywords

• first principles calculation
• high pressure
• hydrides
• superconductivity