The superconductivity of N-Si-H compounds at high pressure

Recently, the study of superconductive hydrides with high critical temperature (Tc) has attracted considerable attention in high-pressure community due to the finding of 240 K in YH9 at -200 GPa and 250-260 K in LaH10 at 170-190 GPa. In this work, we performed structure searches on the exploration of the crystal structure and the superconductivity in ternary N-Si-H system at high pressure via a particle swarm optimization structure prediction methodology in combination with the first-principles electronic structure framework. As a result, our first-principles calculations show that a metastable phase NSiH11 is a potential superconductor Tc of 98-110 K at 300 GPa. This high superconductivity is associated with the H-H interaction among H2 units.