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Monte Carlo Simulation of a Growing Pb-Film on Cu (100) and (111) Surfaces

Published online by Cambridge University Press:  21 February 2011

W. Bauer ,
G. Betz ,
H. Bangert ,
A. Bergauer  and
C. Eisenmenger-Sittner
W. Bauer
Affiliation:
Technische Universität Wien, Institut für Allgemeine Physik, A-l 040 Wien, Austria
G. Betz
Affiliation:
Technische Universität Wien, Institut für Allgemeine Physik, A-l 040 Wien, Austria
H. Bangert
Affiliation:
Technische Universität Wien, Institut für Angewandte und Technische Physik, A-l 040 Wien, Austria
A. Bergauer
Affiliation:
Technische Universität Wien, Institut für Angewandte und Technische Physik, A-l 040 Wien, Austria
C. Eisenmenger-Sittner
Affiliation:
Technische Universität Wien, Institut für Angewandte und Technische Physik, A-l 040 Wien, Austria
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Abstract

The growth of submonolayer Pb-films on Cu (100) and (111) was investigated by a 3-dimensional Monte Carlo simulation based on the Metropolis technique. The system Cu/Pb was studied because of its known immiscibility. Two different types of potentials have been chosen to simulate the interaction of deposited film atoms mutually and with the substrate surface: (a) Morse- and (b) Embedded Atom (EAM)-potential. Especially by varying the unknown Morse-potential parameters of the Cu-Pb interaction we observed all stages from layer-by-layer growth to surface alloying. At the Cu (111) surface both potentials led to a preferred adsorption site by decorating a Cu step with Pb atoms. Also a seam of embedded Pb atoms parallel to the step edge on the upper side of a monoatomic Cu step was observed. The early stages of a Pb film growing on Cu (100) are characterized by forming different types of superstructures. Surface total energy calculations were performed and compared with STM results. Most of the results are in accordance with experimental results and observations by scanning tunnel microscopy.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 355: Symposium B1 – Evolution of Thin-Film and Surface Structure and Morphology , 1994 , 263
Copyright
Copyright © Materials Research Society 1995

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References

REFERENCES

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