Modelling mehodology of silicon ocidation from quantum calculations to Monte Carlo level

摘要

The atomic scale understanding of silicon oxide growth is investigated to determine interface defects formation (geometry and spatial distribution) during a technology process. In this paper we present a genral emthodology also applicable to other atomic scale problems. This methodology is based on the use of several theoreticla models used in cascade, each model giving parameters for a higher modelling level. To clarify this procedure, we give quantum calculation results and their impact on a Monte Carlo technique to investigated oxide growth dyamics.