An investigation of the energetics and dynamics of adatom motion to descending-step edges in Pt/Pt(111) homoepitaxy

Ruoping Wang, Kristen Ann Fichthorn

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We have performed semi-empirical molecular-dynamics simulations and static potential-energy calculations to study kinetic mechanisms in Pt/Pt(111) homoepitaxy. Energy barriers for adatom incorporation into and minimum-potential -energy profiles for adatoms approaching the descending-step edges of small islands have been investigated. Adatoms incorporate into descending-step edges via a concerted exchange mechanism. The effects of island size and step-edge type on the incorporation kinetics have been studied and are found to be consistent with a recently proposed explanation for reentrant growth in Pt/Pt(111) homoepitaxy. Adatoms near the step edge have a significantly higher energy than those in the center of the island, due to decreasing coordination with the island atoms. From static-energy calculations, we find that energy barriers for an adatom to approach the descending-step edges do not differ considerably from the clean-surface diffusion barrier.

Original languageEnglish (US)
Pages (from-to)253-259
Number of pages7
JournalSurface Science
Issue number1-3
StatePublished - Jan 10 1994


All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films
  • Materials Chemistry

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