Direct calculation of interfacial energetics: Roles of axial commensuration and strain in epitaxial growth

Publisher Website
Google Scholar
Abstract
Static energetics of monolayer overgrowth on a crystalline substrate is considered in detail by going beyond the rigid-lattice approximation. Conditions necessary to obtain a coherent interface between two dissimilar structures are carefully examined in terms of axial commensuration. Obtaining the strain and the strain energy for lattice-mismatched interfaces, we investigate: (i) the nucleation size for stable microcrystallite formation, and (ii) the difference in epitaxial growth between positive misfit and negative misfit. Using model potentials obtained by superposing suitable two-body interaction terms, we make a connection with semiconductor superlattice growth for zinc-blende-type systems.