Molecular Dynamics Simulation of Transition Metals as Silicon Substrates

Abstract

In recent years the growth of epitaxial layers and strained layer superlattices have been simulated by using the method of molecular dynamics. We have used this method to study the formation of transition metal silicides as the metal is deposited on a silicon substrate. We propose effective empirical potentials to describe the interaction between the metal and silicon and use the Dodson and Stillinger-Weber potentials to model the silicon-silicon interaction. We report on the evolution of nickel layers on the substrate as a function of temperature.

Key Words:

• Molecular dynamics
• nickel-silicon interfaces
• silicides