The generalized stacking-fault structure and corresponding energy of Ag were studied by using a tight-binding potential combined with simulated annealing. The potential was chosen to fit band structures and total energies from a set of first-principles calculations. It was found that the relaxed stacking-fault energy and anti-stacking-fault energy were equal to 38 and 126mJ/m2, respectively, and were in agreement with first-principles calculations and experiment. At the same time, the numerical calculations also showed that the calculated generalized stacking energy as a function of displacement provided support for previous theoretical studies.

Energies and Structures of Stacking Faults of Ag from the Tight-Binding Method Calculation. J.Cai, J.S.Wang: Modelling and Simulation in Materials Science and Engineering, 2002, 10[5], 469-75