Molecular dynamics simulation study of deposition and annealing behaviors of Al atoms on Cu surface.

Deposition and annealing behaviors of Al atoms on rough Cu (111) surface were investigated on the atomic scale by three-dimensional classical molecular dynamics simulation. The rough Cu surface was modeled by depositing 5 ML of Cu on Ta (011) substrate. Most Al atoms deposited on the rough Cu surface placed on the atomic steps, preserving the major features of the surface during Al deposition. This behavior was discussed in terms of the smaller barrier of the surface diffusion than Ehrlich–Schwoebel barrier of Al on Cu (111) surface. By annealing at 700 K, significant intermixing between Al and Cu rapidly occurs with decrease in the surface roughness. This behavior reveals that the exchange process of Al with substrate Cu dominates during the initial stage of high temperature annealing. [ABSTRACT FROM AUTHOR]