Lattice-free kinetic Monte Carlo methods were used to analyze boron diffusion at 450 and 550C, assuming a vacancy + interstitialcy mechanism or vacancy + kick-out one with dilute self-interstitials and vacancies created in a B-doped marker layer (4 x 1011B/cm2 per marker) by Si implantation (50keV, 1011/cm2). In this type of kinetic Monte Carlo model, point defects and dopants were treated at an atomic scale while they were considered to diffuse in accordance with their event rates, which were given as input parameters from ab initio calculations or experimental data. The formation of clusters and extended defects, which usually controlled the annealing kinetics after ion implantation, was minimized in the range of low doses in an effort to create dilute concentrations of self-interstitials and vacancies. Simple vacancy and kick-out or interstitialcy mechanisms without interstitial clusters or extended defects were tested under these conditions and both were in a good agreement with SIMS data. At these dilute concentrations, the vacancy mechanism played a predominant role in B diffusion in place of the usual kick-out or interstitialcy mechanism of boron enhanced diffusion.

Kinetic Monte Carlo Modeling of Boron Diffusion in Si Crystalline Materials. J.Seo, C.O.Hwang, O.Kwon, K.Kim, T.Won: 2004 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2004, 3, 141-4