Pressure induced structural phase transition in SnS - An ab initio study

Abstract

The structural behaviour of SnS under pressure has been investigated by first principle density functional calculations of the total energy by the TB-LMTO approach. We find that SnS undergoes a structural phase transition from orthorhombic type to monoclinic type structure around 17 GPa which is in good agreement with the recent experimental study. In addition, the ground state properties are computed and compared with the available results. © Indian Academy of Sciences.