Structure of liquid tin under high pressure by ab initio molecular-dynamics simulation

Abstract

Pressure-induced structural change of liquid tin was studied by constant-pressure ab initio molecular-dynamics simulations from 0 to 4 GPa. We have found that with increasing pressure the liquid tin is not compressed uniformly but very gradually changes from complex anisotropic structures to more simple isotropic close-packed structure. © 2008 IOP Publishing Ltd.