论文标题
三元氢化物中的相变和超导率li $ _2 $ sih $ _6 $在高压下
Phase Transitions and Superconductivity in Ternary Hydride Li$_2$SiH$_6$ at High Pressures
论文作者
论文摘要
我们预测了一个新的三元氢化物$ _2 $ sih $ _6 $在高压下。 Li $ _2 $ SIH $ _6 $化合物中的系统结构搜索揭示了具有有趣的电子和声子属性的新型稳定阶段。发现Li $ _2 $ SIH $ _6 $从环境压力到400 GPA的动态稳定，具有三个新颖的阶段：P312，P $ \ bar {3} $，以及P $ \ bar {6} $ 200M。电子波耦合的计算与Bardeen-Cooper-Schrieffer的参数相结合，表明该化合物可能是高压下高$ T_C $超导体的候选者。特别是，$ p \ bar {6} 2m $ -li $ _2 $ _2 $ sih $ _6 $在400 GPA达到56 K的最大$ t_c $。这些发现可能为在富含富含氢的密集氢化合物中获得室温超导体铺平了道路。
We predicted a new ternary hydride Li$_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$\bar{3}$, and P$\bar{6}$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 $P\bar{6}2m$-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.
