A kinetic As-interstitial interaction model was developed to study and predict As transient enhanced diffusion and deactivation behavior during ultra-shallow junction formation. This model was based upon density functional theory and was verified by previous experiments in which the significant role of interstitial mechanism in As transient enhanced diffusion was revealed. The mechanism of enhanced and retarded As diffusion in different point defect environments was investigated by utilizing this model in 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. In addition, by using this model, the transient existence of As-interstitial clusters (AsnIm) during post-implantation annealing was demonstrated and their possible role in deactivation for short-term annealing (laser, spike) was proposed. A novel surface-trap based kinetic Monte Carlo model was developed in order to simulate As up-hill diffusion in proximity to the Si/SiO2 interface. The simulation results showed that the activation behavior of the up-hill portion of As had a considerable impact upon the junction sheet resistance. The activation behavior of this As was expected to become more important when the ultra-shallow junction depth was further scaled-down.

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