The effects of F on B diffusion and activation in Si were investigated through experiments and ab initio calculations. It was found that F atoms captured by vacancy type defects originating from ion implantation form two stable F¯V configurations, while the F atoms remaining in Si affect B activation by forming stable F¯B complex. During the initial stage of annealing, B diffusion in highly F-doped regions was suppressed significantly due to the recombination of generated self-interstitials with F atoms, resulting in a decrease in self-interstitial concentration.

Atomic Configuration Study of Implanted F in Si Based on Experimental Evidence and Ab Initio Calculations. T.Hirose, T.Shano, R.Kim, H.Tsuji, Y.Kamakura, K.Taniguchi: Materials Science and Engineering B, 2002, 91-92, 148-51