Room-Temperature Superconductivity in Yb/Lu Substituted Clathrate Hexahydrides under Moderate Pressure

Room temperature superconductivity is a dream that mankind has been chasing for a century. In recent years, the synthesis of H3S, LaH10, and C-S-H compounds under high pressures has gradually made that dream become a reality. But the extreme high pressure required for stabilization of hydrogen-based superconductors limit their applications. So, the next challenge is to achieve room-temperature superconductivity at significantly low pressures, even ambient pressure. In this work, we design a series of high temperature superconductors that can be stable at moderate pressures by incorporating heavy rare earth elements Yb/Lu into sodalite-like clathrate hexahydrides. In particular, the critical temperatures (T-c) of Y3LuH24, YLuH12, and YLu3H24 can reach 283 K at 120 GPa, 275 K at 140 GPa, and 288 K at 110 GPa, respectively. Their critical temperatures are close to or have reached room temperature, and minimum stable pressures are significantly lower than that of reported room temperature superconductors. Our work provides an effective method for the rational design of low-pressure stabilized hydrogen-based superconductors with room-temperature superconductivity simultaneously and will stimulate further experimental exploration.