paper

Phase Transitions and Superconductivity in Ternary Hydride Li $_{2}$ SiH $_{6}$ at High Pressures

arXiv:2209.05014 · doi:10.1063/5.0080880

Abstract

We predicted a new ternary hydride Li $_{2}$ SiH $_{6}$ at high pressures. A systematic structure search in Li $_{2}$ SiH $_{6}$ compound reveals novel stable phases with intriguing electronic and phonon properties. It is found that Li $_{2}$ SiH $_{6}$ is dynamically stable from ambient pressure up to 400 GPa with three novel phases: P312, P $3 ˉ$ , and P $6 ˉ$ 2m. The calculation of electron-phonon coupling combined with Bardeen-Cooper-Schrieffer's argument indicates that this compound may be a candidate for high $T_{c}$ superconductors under high pressures. In particular, the maximum $T_{c}$ of $P 6 ˉ 2 m$ -Li $_{2}$ SiH $_{6}$ at 400 GPa reaches 56 K. These findings may pave the way for obtaining room temperature superconductors in dense hydrogen-rich compounds.

Phase Transitions and Superconductivity in Ternary Hydride Li2​SiH6​ at High Pressures

Abstract

Phase Transitions and Superconductivity in Ternary Hydride Li $_{2}$ SiH $_{6}$ at High Pressures