Modelling methodology of silicon oxidation from quantum calculations to Monte Carlo level

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 general methodology also applicable to other atomic scale problems. This methodology is based on the use of several theoretical 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 investigate oxide growth dynamics. (C) 1999 Elsevier Science Ltd. All rights reserved.