Minimized atomistic model (MAM) of B_mI_n cluster and the effect of Ge pre-amorphization implant (Ge-PAI) on boron diffusion

摘要

In this paper, since boron atoms tend to diffuse in the silicon crystal with complex cluster structures, KMC calculation requires an excessive CUP time during the transient stages. In this paper, we present a simplified atomistic model which includes the dominant B_mI_n clusters for fast Kinetic Monte Carlo (KMC) calculation. In this work, we propose two types of simplified atomistic models for B_mI_n clusters, which comprise a simple atomistic model (SAM) and minimized atomistic model (MAM). The proposed simplified atomistic cluster model reduces the computational burden by more than a factor of 10 even with keeping the accuracy of the full cluster model. From the investigation on the dominant B_mI_n clusters during annealing process, we could decipher the most probable process route for the evolution of clusters. Our KMC simulation revealed that B1_2 seems to act a dominant role at the beginning stage of annealing process while B_3I becomes more dominant near the end. After the proposed models were verified with experimental SIMS data, we implemented boron diffusion using MAM in wafer considering the Ge-PAI. The results of our simulation agreed with SIMS data.