Investigation of Pt/Pt(111) homoepitaxy with molecular dynamics simulation and static-energy calculation

Ruoping Wang, Bryan S. Kalp, Kristen Ann Fichthorn

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1 Citation (Scopus)

Abstract

We present the results of a study of Pt/Pt(111) epitaxial thin-film growth with molecular-dynamics simulation and static-energy calculation. Interatomic forces are modeled with Corrected-Effective-Medium theory. Atomic details of deposition, such as dissipation of the kinetic energy of an impinging gas atom, adatom motion on and approaching descending step edges, effects of the geometry of a step edge on the interlayer transport of adatoms, etc., have been intensively investigated. We have observed a novel mechanism for adatom incorporation into descending-step edges which involves a concerted motion of the adatom and edge atoms. Our study supports the `island size and shape' model which has been proposed to explain the reentrant layer-by-layer growth mode seen experimentally in Pt/Pt(111) homoepitaxy.

Original languageEnglish (US)
Title of host publicationMechanisms of Thin Film Evolution
EditorsSeshu B. Desu, David B. Beach, Bruce W. Wessels, Suleyman Gokoglu
PublisherPubl by Materials Research Society
Pages335-341
Number of pages7
Volume317
ISBN (Print)1558992162
StatePublished - 1994
EventProceedings of the 1993 Fall Meeting of the Materials Research Society - Boston, MA, USA
Duration: Nov 29 1993Dec 2 1993

Other

OtherProceedings of the 1993 Fall Meeting of the Materials Research Society
CityBoston, MA, USA
Period11/29/9312/2/93

Fingerprint

Adatoms
Molecular dynamics
Computer simulation
Atoms
Epitaxial films
Film growth
Kinetic energy
Gases
Thin films
Geometry

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials

Cite this

Wang, R., Kalp, B. S., & Fichthorn, K. A. (1994). Investigation of Pt/Pt(111) homoepitaxy with molecular dynamics simulation and static-energy calculation. In S. B. Desu, D. B. Beach, B. W. Wessels, & S. Gokoglu (Eds.), Mechanisms of Thin Film Evolution (Vol. 317, pp. 335-341). Publ by Materials Research Society.
Wang, Ruoping ; Kalp, Bryan S. ; Fichthorn, Kristen Ann. / Investigation of Pt/Pt(111) homoepitaxy with molecular dynamics simulation and static-energy calculation. Mechanisms of Thin Film Evolution. editor / Seshu B. Desu ; David B. Beach ; Bruce W. Wessels ; Suleyman Gokoglu. Vol. 317 Publ by Materials Research Society, 1994. pp. 335-341
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abstract = "We present the results of a study of Pt/Pt(111) epitaxial thin-film growth with molecular-dynamics simulation and static-energy calculation. Interatomic forces are modeled with Corrected-Effective-Medium theory. Atomic details of deposition, such as dissipation of the kinetic energy of an impinging gas atom, adatom motion on and approaching descending step edges, effects of the geometry of a step edge on the interlayer transport of adatoms, etc., have been intensively investigated. We have observed a novel mechanism for adatom incorporation into descending-step edges which involves a concerted motion of the adatom and edge atoms. Our study supports the `island size and shape' model which has been proposed to explain the reentrant layer-by-layer growth mode seen experimentally in Pt/Pt(111) homoepitaxy.",
author = "Ruoping Wang and Kalp, {Bryan S.} and Fichthorn, {Kristen Ann}",
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Wang, R, Kalp, BS & Fichthorn, KA 1994, Investigation of Pt/Pt(111) homoepitaxy with molecular dynamics simulation and static-energy calculation. in SB Desu, DB Beach, BW Wessels & S Gokoglu (eds), Mechanisms of Thin Film Evolution. vol. 317, Publ by Materials Research Society, pp. 335-341, Proceedings of the 1993 Fall Meeting of the Materials Research Society, Boston, MA, USA, 11/29/93.

Investigation of Pt/Pt(111) homoepitaxy with molecular dynamics simulation and static-energy calculation. / Wang, Ruoping; Kalp, Bryan S.; Fichthorn, Kristen Ann.

Mechanisms of Thin Film Evolution. ed. / Seshu B. Desu; David B. Beach; Bruce W. Wessels; Suleyman Gokoglu. Vol. 317 Publ by Materials Research Society, 1994. p. 335-341.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

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N2 - We present the results of a study of Pt/Pt(111) epitaxial thin-film growth with molecular-dynamics simulation and static-energy calculation. Interatomic forces are modeled with Corrected-Effective-Medium theory. Atomic details of deposition, such as dissipation of the kinetic energy of an impinging gas atom, adatom motion on and approaching descending step edges, effects of the geometry of a step edge on the interlayer transport of adatoms, etc., have been intensively investigated. We have observed a novel mechanism for adatom incorporation into descending-step edges which involves a concerted motion of the adatom and edge atoms. Our study supports the `island size and shape' model which has been proposed to explain the reentrant layer-by-layer growth mode seen experimentally in Pt/Pt(111) homoepitaxy.

AB - We present the results of a study of Pt/Pt(111) epitaxial thin-film growth with molecular-dynamics simulation and static-energy calculation. Interatomic forces are modeled with Corrected-Effective-Medium theory. Atomic details of deposition, such as dissipation of the kinetic energy of an impinging gas atom, adatom motion on and approaching descending step edges, effects of the geometry of a step edge on the interlayer transport of adatoms, etc., have been intensively investigated. We have observed a novel mechanism for adatom incorporation into descending-step edges which involves a concerted motion of the adatom and edge atoms. Our study supports the `island size and shape' model which has been proposed to explain the reentrant layer-by-layer growth mode seen experimentally in Pt/Pt(111) homoepitaxy.

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Wang R, Kalp BS, Fichthorn KA. Investigation of Pt/Pt(111) homoepitaxy with molecular dynamics simulation and static-energy calculation. In Desu SB, Beach DB, Wessels BW, Gokoglu S, editors, Mechanisms of Thin Film Evolution. Vol. 317. Publ by Materials Research Society. 1994. p. 335-341