Superconducting phase above room temperature in lutetium-beryllium hydrides at high pressures

Abstract

High-pressure structural search was performed on the hydrogen-rich compound LuBeH${}_8$ at pressures up to 200 GPa. We found a $Fm\overline{3}m$ structure that exhibits stability and superconductivity above 100 GPa. Our phonon dispersion, electronic band structure, and superconductivity analyses in the 100-200 GPa pressure range reveal a strong electron-phonon coupling in LuBeH${}_8$. While $T_c$ shows a decreasing trend as the pressure increases, with a superconducting critical temperature $T_c$ of 255 K at 200 GPa and a maximum $T_c$ of 355 k at 100 GPa. Our research has demonstrated the room-temperature superconductivity in $Fm\overline{3}m$-LuBeH${}_8$, thus enriching the family of ternary hydrides. These findings provide valuable guidance for identifying new high-temperature superconducting hydrides.

References in corpus (11)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Superconductive "sodalite"-like clathrate calcium hydride at high pressures
• Superconducting hydrides under pressure
• Prediction of high-Tc superconductivity in ternary lanthanum borohydrides
• Improved tetrahedron method for the Brillouin-zone integration applicable to response functions
• Absence of near-ambient superconductivity in LuH${}_{2\pm \text{x}}$N${}_y$
• In-silico synthesis of lowest-pressure high-$T_{\text{c}}$ ternary superhydrides
• Structure, Stability and Superconductivity of N-doped Lutetium Hydrides at kbar Pressures
• Effect of nitrogen doping and pressure on the stability of LuH${}_3$
• Superconductivity in CeBeH${}_8$ and CeBH${}_8$ at moderate pressures
• Phase Transitions and Superconductivity in Ternary Hydride Li${}_2$SiH${}_6$ at High Pressures