The adatom diffusion barriers on homo-epitaxial three-dimensional (3D) Cu(111) islands with different numbers of monolayers were studied by using molecular dynamics simulation combined with a molecular statics method. The parameter of atomic interaction potentials, which was introduced in the embedded atom method, was applied in the simulation. The influence of 3D islands with differing numbers of monolayers on the hopping diffusion and the exchange diffusion was considered. The results showed that the two-dimensional (2D) Erlich-Schwoebel (ES) barriers were lower than the 3D-ES barriers and the 3D-ES barrier was independent of the atomic layers in 3D islands. For the 3D island with (100) side-facet, the adatom diffusion along (011) would be affected by the number of monolayers in the 3D island. The adatom diffusion on the 3D islands was dominated by a downward diffusion mechanism. For 3D islands with the (111) side-facet however, upward diffusion on the 3D islands was possible.

Study on the Influence of Three-Dimensional Cu(111) Islands on the Diffusion of Adatom by Molecular Dynamics Simulation. Tang, X., Zhang, C., Zhang, Q.Y.: Acta Physica Sinica, 2005, 54[12], 5797-803