The effect of atomic diagonal transition on the cluster diffusion and its size dependence was simulated by kinetic Monte Carlo method. The thresholds of atomic diagonal transition barriers Edt were found to be 0.2 and 0.4eV, corresponding to with and without evaporation and condensation mechanism, respectively. The results included that the cluster diffusion was controlled primarily by the atomic diagonal transition, and the cluster diffusion coefficient D decreased drastically with increasing Ed when Ed < Edt. Moreover, D was also found to depend on the cluster size N, The size dependence of D could be described by D ∝ N-1.57 when Ed = 0. This behavior was very close to that of the perfect periphery diffusion. On the contrary, D was almost independent of Ed when Ed> Edt, and the relationship between D and N changed into D ∝ N-1.08.

Monte Carlo Simulation of the Effect of Atomic Diagonal Transition on Cluster Diffusion. F.Xie, X.P.Wang, Q.W.Shi, T.X.Zhao: Chinese Physics, 2003, 12[7], 778-84