Superconducting phase above room temperature in lutetium-beryllium hydrides at high pressures (2305.08058v1)

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.