Atomic configuration study of implanted F in Si based on experimental evidences and ab initio calculations

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 is suppressed significantly due to the recombination of generated self-interstitials with F atoms, resulting in a decrease in self-interstitial concentration.