Intrinsic stacking-fault energies and free energies were deduced from molecular dynamics simulations by using empirical Cleri-Rosato tight-binding potentials. Although the results exhibited significant deviations from experimental data, the relative trends for various elements were correct. This permitted the use of the potentials for making qualitative comparisons between metals with high and low stacking-fault energies. The effect of stacking faults on local vibrational properties near to the fault was examined, and it was found that the stacking fault had the strongest effect on modes in the center of the transverse peak. Its effect was localized within a region of approximately 8 monolayers around the defect.

Stacking-Fault Energies for Ag, Cu and Ni from Empirical Tight-Binding Potentials. R.Meyer, L.J.Lewis: Physical Review B, 2002, 66[5], 052106 (4pp)