A molecular dynamics analysis of low energy atom—surface interaction during energetic deposition of silver thin films

Abstract

A three-dimensional molecular dynamics simulation was conducted of the deposition of 500 energetic silver atoms (three monolayers) incident on a (111) oriented substrate with 1008 dynamic atoms and 1008 frozen atoms. Incident atom energies were 10, 20 and 40 eV, and initial substrate temperatures were 300 and 0 K. All of these deposition conditions resulted in layer by layer growth. During the film depositions, interface mixing between deposited atoms and substrate atoms was also observed. This mixing was found to increase with increases in either incident atom energy or substrate temperature, with energy having the largest effect. The observed interface mixing mechanism was the partial or full embedding of an incoming atom in the top substrate layer, followed by the ejection of a substrate atom from that layer and the accommodation of the deposited atom in the substrate.