Kinetic Monte Carlo Simulation of Epitaxial Thin Film Growth: Formation of Submonolayer Islands and Multilayer Mounds
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The Department of Chemistry seeks to provide students with a foundation in the fundamentals and application of chemical theories and processes of the lab. Thus prepared they me pursue careers as teachers, industry supervisors, or research chemists in a variety of domains (governmental, academic, etc).
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The Department of Chemistry was founded in 1880.
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1880-present
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- College of Liberal Arts and Sciences (parent college)
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We consider homoepitaxy (or low‐misfit heteroepitaxy) via vapor deposition or MBE under UHV conditions. Thin film growth is initiated by nucleation and growth of 2D islands in the submonolayer regime. For atoms subsequently deposited on top of islands, a step edge barrier often inhibits downward transport and produces kinetic roughening during multilayer growth. Such unstable growth is characterized by the formation of 3D mounds (multilayer stacks of 2D islands). Kinetic Monte Carlo (KMC) simulation of suitable atomistic lattice‐gas models can address fundamental or general issues related to both submonolayer and multilayer film evolution, and can also provide a predictive tool for morphological evolution in specific systems. Examples of the successes of KMC modeling are provided for metal homoepitaxial film growth, specifically for contrasting behavior in the classic Ag/Ag(100) and Ag/Ag(111) systems.