We have systematically performed the static calculations using the Modified Embedded Atom Method (MEAM). We have calculated the energetical difference between the structure with a monolayer film on a substrate and the structure with the film buried into the second layer. The calculation will give the necessary condition for the surfactant epitaxy and the substrate atom segregating phenomenon from the energetical point of view.
ASJC Scopus subject areas
- Materials Science(all)