Investigation of fcc and hcp island nucleated during homoepitaxial growth of copper by molecular dynamics simulation

Abstract

We studied thin film growth of Cu on Cu (111) surface by molecular dynamics (MD) simulations using the Embedded Atom Method (EAM) potential and an incidence energy of 0.06 eV at 300 K. At the beginning of the deposition, we observe a coexistence of atoms nucleated on hcp and fcc sites in the first layer. The connection of these islands produces a border zone in rectangular form. The coexistence of fcc and hcp geometries has generated energy competition and eventually transitioned to fcc sites implying a large collective movement of several layers. However, the transition to the coexistence of these two structures, can promote coalescence by linking two large mounds.