A general kinetic model, based upon density-functional theoretic total energy calculations, was introduced in order to describe the aggregation kinetics of O-related thermal double donors. The calculated kinetics, which incorporated the association, dissociation and isomerization of all of the relevant O complexes, were in agreement with experimental annealing studies. The aggregation of thermal double donors took place via parallel-consecutive reactions in which both mobile O dimers and fast migrating chain-like thermal double donors captured interstitial O atoms.

Aggregation Kinetics of Thermal Double Donors in Silicon. Y.J.Lee, J.Von Boehm, M.Pesola, R.M.Nieminen: Physical Review Letters, 2001, 86[14], 3060-3