Carbon often appeared in Si in concentrations above its solubility. A comprehensive model was proposed which, taking diffusion and clustering into account, was able to reproduce a variety of experimental results. Simulations were performed by implementing this model in a Monte Carlo atomistic simulator. The initial path for clustering included in the model was consistent with experimental observations regarding the formation and dissolution of substitutional C–interstitial C pairs (Cs–Ci). In addition, C diffusion profiles at 850 and 900C in C-doping superlattice structures were well reproduced. Finally, under conditions of thermal generation of intrinsic point defects, the weak temperature dependence of the Si interstitial undersaturation and the vacancy supersaturation in C-rich regions also agree with experimental measurements.

Carbon in Silicon - Modelling of Diffusion and Clustering Mechanisms. R.Pinacho, P.Castrillo, M.Jaraiz, I.Martin-Bragado, J.Barbolla, H.J.Gossmann, G.H.Gilmer, J.L.Benton: Journal of Applied Physics, 2002, 92[3], 1582-7