Pressure-induced phase transformation SnO$_{2}$: An ab initio constant pressure study

We study the behavior of SnO$_{2}$ under rapid hydrostatic pressures using constant-pressure ab initio simulations. We find that the rutile-type SnO$_{2}$ transforms into the CaCl$_{2}$-type structure. At a high pressure of about 20 GPa, a phase transformation into a cubic fluorite-type structure is observed. The orthorhombic Pnma cotunnite-structured phase is formed above 100 GPa. The transformation mechanisms at the atomistic level are discussed.