The diffusion behavior of Fe clusters on a Fe(110) surface was investigated by using molecular dynamics simulations based upon a modified analytical embedded-atom method. The stable configurations of Fe clusters were predicted to be close-packed island configurations for Fe clusters of up to 9 atoms or even larger in size. The activation energy for surface diffusion exhibited an oscillatory behavior as a function of cluster size. As compared with structures with extra atoms at the periphery, compact geometrical configurations of Fe clusters (4- and 7-atom) had an obviously higher activation energy. The reason was that, for clusters of more than 2 atoms, the diffusion mechanisms of 2-dimensional small clusters were achieved by the migration of extra atoms at the periphery.

The Dynamic Diffusion Behaviors of 2D Small Fe Clusters on a Fe(110) Surface. D.Chen, W.Hu, J.Yang, L.Sun: Journal of Physics - Condensed Matter, 2007, 19[44], 446009 (8pp)