The dynamic diffusion behaviors of 2D small Fe clusters on a Fe(110) surface

In this paper, the diffusion behaviors of Fe clusters on a Fe( 110) surface have been investigated using molecular dynamics simulations based on a modified analytic embedded-atom method. The stable configurations of Fe clusters are predicted to be close-packed islands configuration for Fe clusters up to nine atoms or even larger in size. The activation energy of surface diffusion exhibits an interesting, oscillatory behavior as a function of cluster size. As compared to the structures with extra atoms at the periphery, compact geometric configurations of Fe clusters (four-and seven-atom clusters) have an obviously higher activation energy. The reason is that for clusters of more than two atoms the diffusion mechanisms of 2D small clusters are achieved by the migration of extra atoms at the periphery.