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An Investigation of PT/PT (111) Homoepitaxy with Molecular Dynamics Simulation and Static-Energy Calculation.

Published online by Cambridge University Press:  15 February 2011

Ruoping wang ,
Bryan S. Kalp  and
Kristen A. Fichthorn
Ruoping wang
Affiliation:
Department of Chemical Engineering and Physics, Pennsylvania State University, University Park, PA 16802–4400
Bryan S. Kalp
Affiliation:
Department of Chemical Engineering and Physics, Pennsylvania State University, University Park, PA 16802–4400
Kristen A. Fichthorn
Affiliation:
Department of Chemical Engineering and Physics, Pennsylvania State University, University Park, PA 16802–4400
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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.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 317: Symposium B – Mechanisms of Thin Film Evolution , 1993 , 335
Copyright
Copyright © Materials Research Society 1994

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References

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