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

Ruoping Wang; Kristen A. Fichthorn

doi:10.1016/0039-6028(94)91305-6

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

Ruoping Wang, Kristen A. Fichthorn

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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.

Original language	English (US)
Pages (from-to)	253-259
Number of pages	7
Journal	Surface Science
Volume	301
Issue number	1-3
DOIs	https://doi.org/10.1016/0039-6028(94)91305-6
State	Published - 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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10.1016/0039-6028(94)91305-6

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@article{e483492584b14fcc92b3e4af170ee857,

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

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.",

author = "Ruoping Wang and Fichthorn, {Kristen A.}",

note = "Funding Information: This work was funded by the National Science Foundation under grant CTS-9058013T. he computer workstationsw ere provided by an NSF equipmentg rant.W e acknowledgeh elpful discus-sionsw ith the DePristo group at Iowa State University,i n particular,w ith Dr. David E. Sanders. We also thank Mr. Prakash Balan for his help with the computera nimation.",

year = "1994",

month = jan,

day = "10",

doi = "10.1016/0039-6028(94)91305-6",

language = "English (US)",

volume = "301",

pages = "253--259",

journal = "Surface Science",

issn = "0039-6028",

publisher = "Elsevier",

number = "1-3",

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T1 - An investigation of the energetics and dynamics of adatom motion to descending-step edges in Pt/Pt(111) homoepitaxy

AU - Wang, Ruoping

AU - Fichthorn, Kristen A.

N1 - Funding Information: This work was funded by the National Science Foundation under grant CTS-9058013T. he computer workstationsw ere provided by an NSF equipmentg rant.W e acknowledgeh elpful discus-sionsw ith the DePristo group at Iowa State University,i n particular,w ith Dr. David E. Sanders. We also thank Mr. Prakash Balan for his help with the computera nimation.

PY - 1994/1/10

Y1 - 1994/1/10

N2 - 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.

AB - 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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U2 - 10.1016/0039-6028(94)91305-6

DO - 10.1016/0039-6028(94)91305-6

M3 - Article

AN - SCOPUS:0028195277

SN - 0039-6028

VL - 301

SP - 253

EP - 259

JO - Surface Science

JF - Surface Science

IS - 1-3

ER -

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

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