First-principles calculations of generalized stacking fault energy in Mg alloys with Sn, Pb and Sn+Pb dopings

A first-principles method was performed to calculate generalized stacking fault (GSF) energies in Mg alloys with Sn, Pb and Sn+Pb dopings for acting as references of designing Mg–Sn–Pb alloys. We clarify the effect of Sn is dominated than Pb atom on reduced unstable stacking fault energy (γus), especially in basal {0001}〈112¯0〉 and pyramidal {112¯2}〈112¯3〉 slip systems. Such a reduction of non-basal slip GSF energy is in favor of improving the ductility of Mg matrix