Abstract

The molecular dynamics method and computer graphics were found to be effective for simulating the deposition processes of the Ti4+, TiO2+, TiO2, and Sr4Ti4O12 species on SrTiO3(100). Although the collision of these species with the SrTiO3 surface greatly disturbed the surface atoms, the migration of the deposited species to the surface vacancies led to the formation of a smooth SrTiO3(100) surface.

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