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

Ruoping Wang, Kristen Ann Fichthorn

Research output: Contribution to journalArticle

26 Citations (Scopus)

Abstract

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
Volume301
Issue number1-3
DOIs
StatePublished - Jan 10 1994

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Adatoms
adatoms
Energy barriers
Potential energy
potential energy
Kinetics
Diffusion barriers
energy
Surface diffusion
kinetics
surface diffusion
Molecular dynamics
molecular dynamics
Atoms
Computer simulation
profiles
atoms
simulation

All Science Journal Classification (ASJC) codes

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

Cite this

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abstract = "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.",
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An investigation of the energetics and dynamics of adatom motion to descending-step edges in Pt/Pt(111) homoepitaxy. / Wang, Ruoping; Fichthorn, Kristen Ann.

In: Surface Science, Vol. 301, No. 1-3, 10.01.1994, p. 253-259.

Research output: Contribution to journalArticle

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