Temperature-dependent surface alloying in Au/Ni (1 1 0)

The kinetic Monte Carlo (KMC) simulations have been carried out to address the temperature dependence of the surface alloying in the Au/Ni (1 1 0) system. It was found that no surface alloying is observed when Au is grown on the Ni (1 1 0) surface at the low temperature (≤240 K). At the moderate temperature (255–300 K), the surface alloying forms with the dominated exchange mechanism of Au ad-dimmers. At the high temperature (350–400 K), the surface alloying with the dominated exchange mechanism of Au monomers is observed. The physical and chemical mechanisms of the unique surface alloying behaviors in the Au/Ni (1 1 0) were proposed on the basis of the atomic interactions.