Atomistic simulation on the phase transformation of silicon under nonhydrostatic stress

Silicon transforms from the diamond cubic structure (Si I) to the beta-tin structure (Si II) under mechanical stress. The phase transition is affected by the stress state. In this study, we conduct an atomistic simulation to determine the ideal phase transition criterion of silicon under nonhydrostatic stress. We also verify the effects of nonequivalent transverse stress and non-< 100 >-oriented transverse stress. As a result, we find that the magnitude of transverse stress mainly affects the phase transition, but both transverse differential stress and non < 100 >-oriented transverse stress have a negligible little effect.