In the present work a detailed atomic-level analysis of some of the main diffusion mechanisms which took place during cobalt adatom deposition were studied using atomic dynamics and the nudged elastic band method. The computer simulations revealed a very fast exchange between Co and Au atoms when the deposit was a single cobalt adatom. However, when the nucleus size increases, a decrease in the exchange probability was observed. Activation energies for different transitions were obtained using atomic dynamics in combination with the nudged elastic band method.

Diffusion Mechanisms Taking Place at the Early Stages of Cobalt Deposition on Au(111). O.A.Oviedo, E.P.M.Leiva, M.M.Mariscal: Journal of Physics - Condensed Matter, 2008, 20[26], 265010 (6pp)