KMC Simple Model For BmIn Cluster Evolution during Boron Diffusion : Theoretical or Experimental Parameters of Point Defects

초록

In this paper, we investigate the simple model for the explanation of the evolution of interstitial clusters during boron diffusion for implementing the kinetic Monte Carlo (KMC) code. It is well understood that posterior to the ion implantation some clusters play a decisive role for the enhanced boron diffusion at the tail region while immobile at the peak region. Our model, which is based on the simple continuum theory convenient for implementing the kMC code, considers the intermediate clusters as well as definite dominant clusters for building the evolutionary behavior of interstitial clusters during boron diffusion. We found out that the intermediate clusters such as B3I3 and B3I2 play a significant role during the evolution of clusters because the lifetimes of the corresponding intermediate clusters are relatively short due to low binding energies. Additionally, we confirm that B3I is the most dominant cluster after annealing. Also, we use a simple model [1] adopted kMC method to investigate the KMC parameters of for interstitial, vacancy and BmI clusters based on theoretical calculation and experimental data during boron diffusion. Finally, our model was verified with experimental SIMS data, which supports our theory that intermediate interstitial clusters and the parameters are very important in the atomistic model in order to understand the whole diffusion process of boron in silicon.