The formation energy of an intrinsic stacking fault was calculated by using the two inter-ionic potential functions of Prakash and Lucasson. A modified Ewald method was used to calculate the lattice-sum of long-range inter-ionic potentials. Numerical results showed that the two potential functions gave 60.5 and 78.3mJ/m2 for the intrinsic stacking fault energy, and that the energy arose mainly from long-range interactions and not from short-range ones. These potentials were also used for the calculation of the binding energies of fcc, bcc and hcp structures. Numerical results showed that the fcc structure was stable and that the binding energies of bcc and hcp structures were larger, than that of the fcc structure, by 0.06 and 0.01eV/ion, respectively.

Interionic Potential and Stacking Fault Energy of Copper. A.Sugiyama: Journal of the Physical Society of Japan, 1982, 51[4], 1243-7