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 ( γ u s ), especially in basal { 0001 } 〈 11 2 ¯ 0 〉 and pyramidal { 11 2 ¯ 2 } 〈 11 2 ¯ 3 〉 slip systems. Such a reduction of non-basal slip GSF energy is in favor of improving the ductility of Mg matrix.