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Monte Carlo Simulation of Vapour Deposition of Nonstoichiometric Amorphous Silica

Published online by Cambridge University Press:  17 March 2011

V. M. Burlakov ,
Y. Tsukahara ,
G. A. D. Briggs  and
A. P. Sutton
V. M. Burlakov
Affiliation:
Department of Materials, University of Oxford, Parks Road, OX1 3PH, UK
Y. Tsukahara
Affiliation:
Technical Research Institute, Toppan Printing Co Ltd., 4-2-3, Takanodai-gun, Saitama 345-8508, Japan
G. A. D. Briggs
Affiliation:
Department of Materials, University of Oxford, Parks Road, OX1 3PH, UK
A. P. Sutton
Affiliation:
Department of Materials, University of Oxford, Parks Road, OX1 3PH, UK
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Abstract

Monte Carlo simulation of deposition of nonstoichiometric amorphous SiOx nanolayers from vapor phase onto a polymer surface is reported. The model developed is based on the network properties of silica and takes into account dangling bonds arising during the real process of deposition. The model is validated via comparison of the radial- and bond angle distribution functions for the simulated Si and SiO2 structures with those obtained from experiment for bulk materials. Porosity of the simulated amorphous layer is characterized by the relative volume of pores and the ratio of the pore surfaces to the pore volume. We found that porosity strongly depends on nucleation sites density (NSD) on the polymer substrate. At NSD lower than 1 nm−2 the porosity may reach as much as 30% of the layer volume, while at NSD higher than 4 nm−2 it decreases down to 3-7%. Possible implications of the obtained results are discussed.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 648: Symposium P – Growth, Evolution & Properties of Surfaces, Thin Films, and Self Organized Structure , 2000 , P6.41
Copyright
Copyright © Materials Research Society 2001

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