  The generalized stacking fault (SFE) energy curves of pure gold (Au) and its
binary alloys with transition metals are determined from density functional
theory (DFT). Alloy elements Ag, Al, Cu, Ni, Ti, Zr, Zn, In, Ga, Sn, Mn, Cd,
Sn, Ta and Cr are substituted into Au at concentrations up to 4%. A comparison
of various proposed methodologies to calculate SFEs is given. The intrinsic SFE
decreases for all alloying elements from its value for pure Au, but SFE
energies (both stable and unstable) vary strongly with the distance of the
alloying element from the stacking fault region, and with alloy concentration.
The compositional dependence of the SFE on the volume change associated with
alloying element is determined. This work demonstrates that the SFE is strongly
influenced by misfit strain caused by the alloying elements. Moreover, the
computed generalized SFE curves provide information valuable to developing an
understanding of the deformation behavior of Au and Au-alloys.
