Generalized stacking fault energies and slip in β-tin.

The preferential slip systems in β-tin were investigated using density functional theory (DFT). The gamma surface entering dislocation modeling was calculated using DFT for three different nonequivalent slip systems in β-tin. The generalized stacking fault energies (GSFE) of different slip systems led to the conclusion that the {100) < 001] slip system is the most easily activated system. We also found that a full dislocation on the {101) and {100) planes will dissociate into a leading partial and a trailing partial. Overall, our study provides critical knowledge towards a comprehensive understanding of nonequivalent slip systems and subsequent deformation processes in β-tin.