High-pressure structural search was performed on the hydrogen-rich compound LuBeH8 at pressures up to 200 GPa. We found a Fm3m 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 LuBeH8. While Tc shows a decreasing trend as the pressure increases, with a superconducting critical temperature Tc of 255 K at 200 GPa and a maximum Tc of 355 k at 100 GPa. Our research has demonstrated the room-temperature superconductivity in Fm3m-LuBeH8, thus enriching the family of ternary hydrides. These findings provide valuable guidance for identifying new high-temperature superconducting hydrides.
@article{arxiv.2305.08058,
title = {Superconducting phase above room temperature in lutetium-beryllium hydrides at high pressures},
author = {Bin Li and Yeqian Yang and Yuxiang Fan and Cong Zhu and Shengli Liu and Zhixiang Shi},
journal= {arXiv preprint arXiv:2305.08058},
year = {2024}
}