A kinetic As-interstitial interaction model was developed to study and predict As transient enhanced diffusion during ultra-shallow junction formation. This model was based upon density functional theory and was confirmed by previous experiments in which the significant influence of an interstitial mechanism in As transient enhanced diffusion had been revealed. The mechanism of enhanced and retarded arsenic diffusion in various point-defect environments was investigated by mean of a kinetic Monte Carlo simulation. The As-interstitial pair, with low binding energy and low migration energy, was shown to be the major contributor to As transient enhanced diffusion in Si interstitial-rich situations. By using this model, the transient existence of As-interstitial clusters (AsnIm) during post-implant annealing was demonstrated and their possible role in de-activation during short-term annealing was proposed. A novel surface-trap based kinetic Monte Carlo model was developed in order to simulate As up-hill diffusion close to the Si/SiO2 interface.

Physically Based Kinetic Monte Carlo Modeling of Arsenic-Interstitial Interaction and Arsenic Uphill Diffusion during Ultrashallow Junction Formation. N.Kong, T.A.Kirichenko, Y.Kim, M.C.Foisy, S.K.Banerjee: Journal of Applied Physics, 2008, 104[1], 013514