A Molecular Dynamics Study of Deposition and Diffusion Behavior of Al on Cu Surface 

S.-P. Kim, K.-R. Lee, Y. K. Kim, M. Doi, M. Sahashi and Y.-C. Chung
 

Deposition and diffusion behavior of Al atoms on Cu surface of various orientations were investigated by classical molecular dynamics simulation and molecular static calculations. Al atoms of kinetic energy of 0.1eV were deposited at room temperature. On the Cu (001) surface, the deposited Al atoms tend to agglomerate only with adjacent atoms. In the case of Cu (111) surface, surface diffusion of Al atoms significantly occurs even in the time scale between two consecutive depositions (5ps). Most deposited atoms are thus agglomerated near the surface step. In contrast, Al atoms deposited on Cu (011) hardly diffuse on the surface but intermixed with the Cu atoms resulting in atomistically rough interface. These behaviors were consistent with the changes in the activation barrier for the possible kinetic process according to the orientation of the substrate.