Theoretical studies of dynamical phenomena in epitaxial surface systems

Abstract

The increasing resolution of scanning tunneling microscopy techniques is beginning to reveal new interesting aspects of atomic behavior at surfaces. The ability to monitor diffusion of even single atoms is one dynamical example. This atomic scale resolution enables a close connection to theory, which plays an important role in uncovering the driving forces and mechanisms behind these dynamical events. In this paper we briefly discuss the theoretical foundations of the corrected effective medium (CEM) method and its application to the epitaxy of metals on metals. Static interaction energy and dynamic Monte Carlo (MC) and molecular dynamics (MD) calculations are employed to examine equilibrium structures and the mechanisms in which equilibrium is obtained. Three specific applications are considered: (1) the mechanism for the formation of the ordered c(2 × 2) Au/Cu(100) surface alloy; (2) The formation of Ag/Rh/Ag(100) “sandwich” structures; (3) The growth of Au on Ag(110).