title: Self-learning kinetic Monte Carlo simulations of self-diffusion of small Ag islands on the Ag(111) surface.
abstract: We studied self-diffusion of small two-dimensional Ag islands, containing up to ten atoms, on the Ag(111) surface using self-learning kinetic Monte Carlo (SLKMC) simulations. Activation barriers are calculated using the semi-empirical embedded atom method (EAM) potential. We find that two- to seven-atom islands primarily diffuse via concerted translation processes with small contributions from multi-atom and single-atom processes, while eight- to ten-atom islands diffuse via single-atom processes, especially edge diffusion, corner rounding and kink detachment, along with a minimal contribution from concerted processes. For each island size, we give a detailed description of the important processes, and their activation barriers, responsible for its diffusion.
authors.affiliation: Department of Physics and Astronomy, University of Central Florida, Orlando, FL 32816, USA.
authors.forename: Syed Islamuddin
authors.initials: SI
authors.lastname: Shah
authors.forename: Giridhar
authors.initials: G
authors.lastname: Nandipati
authors.forename: Altaf
authors.initials: A
authors.lastname: Karim
authors.forename: Talat S
authors.initials: TS
authors.lastname: Rahman