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Numerical Studies Of The Dynamics Of Silicon: Relaxation, Nucleation And Energy Landscape

Published online by Cambridge University Press:  01 February 2011

Normand Mousseau ,
Philippe Beaucage  and
Francis Valiquette
Normand Mousseau
Affiliation:
Département de physique and Groupe de recherche en science et technologie des couches minces, Université de Montréal, C.P. 6128 succ. Centre-ville, Montréal (Québec), Canada, H3T 1J7
Philippe Beaucage
Affiliation:
Département de physique and Groupe de recherche en science et technologie des couches minces, Université de Montréal, C.P. 6128 succ. Centre-ville, Montréal (Québec), Canada, H3T 1J7
Francis Valiquette
Affiliation:
Département de physique and Groupe de recherche en science et technologie des couches minces, Université de Montréal, C.P. 6128 succ. Centre-ville, Montréal (Québec), Canada, H3T 1J7
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Abstract

Using various simulation techniques, such as molecular dynamics and the activation-relaxation technique, we are slowly developing a consistent picture of the dynamical properties of amorphous silicon. For example, results of an extensive search for the activated events surrounding a single minimum, in a well-relaxed model represented by a modified Stillinger-Weber potential, confirm that barrier height at the transition point, for activated mechanisms, is determined essentially by the binding energy of a single bond and not the details of the mechanism. We will discuss these results in some detail as well as recent simulations of nucleation in liquid and amorphous silicon.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 762: Symposium A – Amorphous and Nanocrystalline Silicon-Based Films – 2003 , 2003 , A11.1
Copyright
Copyright © Materials Research Society 2003

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