Nonequilibrium Interface Dynamics:
Fundamental Physical Issues in Nonequilibrium Interface Dynamics

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Predictive Modeling Of Epitaxial Thin Film Growth: Atomistic and Continuum Approaches

Dr. James Evans

Department of Math at Iowa State University

Abstract:   We describe the development of realistic models for homoepitaxial growth of metal(100) films which can predict and thus elucidate behavior in specific systems. This is achieved with atomistic lattice-gas models which are tailored to incorporate the essential physical processes, and which are amenable to efficient KMC simulation up to 1000's of layers [1]. We also discuss the successes and shortcomings of analytic and continuum treatments. For submonolayer nucleation and growth of 2D islands during deposition, analytic theories [2] and continuum simulations [3] must correctly incorporate spatial apsects of nucleation in order to avoid the failure of mean-field treatments. A new geometry-based simulation appoach is presented which achieves this goal [4]. For multilayer growth characterized by kinetic roughening associated with the formation of mounds (stacks of 2D islands), current continuum treatments are shown to capture the basic mounding instability, but not the details of mound evolution [1]. [1] K.J. Caspersen et al., PRB 65 (2002) 193407. [2] J.W. Evans and M.C. Bartelt, PRB 66 (2002) 235410. [3] M.C. Bartelt et al., PRL 81 (1998) 1904. [4] M.Li, M.C. Bartelt, J.W. Evans, PRB 68 (2003) 0814XX.

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