Molecular dynamics simulation of the thin film deposition of Co/Cu(111) with Pb surfactant

Abstract

Using molecular dynamics simulation, the effect of Pb surfactant for the thin film growth of Co atoms on Cu(111) substrate was investigated. Specifically, the behavior of Co atoms being deposited on Cu(111) substrate with predeposited Pb layer was extensively investigated and compared with the case of without Pb layer to explain the effect of Pb surfactant.. It was observed that Pb layer was floating during the Co deposition. It was, quantitatively, found that Pb surfactant played an important role in suppression of active diffusion of Co atoms, which was accomplished by the increase in the surface diffusion barrier energy. The energy change in the deposited Co adatom on the Cu(111) substrate with predeposited Pb layer showed that the approaching Co adatom penetrated into the Pb layer; then, the Co adatom settled down on the Cu(111) substrate. Consequently, Pb atoms around Co adatom suppressed the further diffusion of Co adatom.