Atomistic study of the dissolution of small boron interstitial clusters in c-Si

摘要

The dissolution of boron-interstitial clusters (BICs) in crystalline silicon, often formed after ion implantation, is investigated by temperature accelerated dynamics of their formation using the Si-B Stillinger-Weber potential. We find that the dominant breakup event for small BICs is the emission of either Si mono- or di-interstitials, though the dominant reaction for the reactivation of boron is via emission of a boron interstitial defect B_1I_1 Most reactions are well approximated by the assumption that they are diffusion limited. Finally, the rate limiting step for breakup of clusters with three B atoms involves the B_3I_2 cluster, which also dissolves via emission of B_1I_1.