Monte Carlo simulation of surface de-alloying of Au/Ni(1 1 0)

Based on the BFS model and using Monte Carlo simulation we confirm the de-alloying in an immiscible Au/Ni(1 1 0) system. The critical Au coverage 0.4 (ML) when the de-alloying happens is consistent with experiments. At the same time our simulation shows that the structural phase transition will lead to the saturation of the number of alloying Au atoms.