Atomistic Modeling for Retardation of Boron Diffusion and Dominant BmInClusters in Pre-doped Silicon

In this paper, we present a simple atomistic model for describing the kinetic Monte Carlo (KMC) evolution of interstitial clusters during boron diffusion. It has been known that clusters generated after ion implantation play a decisive role in the enhanced boron diffusion at the tail region in contrast to the immobile property at the peak region. Our model, which is based on the simple continuum model, takes the intermediate clusters into account as well as dominant clusters for understanding the evolutionary behavior of interstitial clusters during boron diffusion. We found out that the intermediate clusters such as B
3
I
3
and B
2
I
3
play a significant role despite that the lifetime of the corresponding intermediate clusters are relatively short due to low binding energies. Further, our investigation revealed that B
3
I is the most dominantly acting cluster after annealing. We applied our simple atomistic model to the study of boron retardation in arsenic and phosphorous pre-doped substrate. Finally, KMC simulation results were compared with experimental data, which demonstrated an excellent agreement.