A kinetic lattice Monte-Carlo approach to the evolution of boron in silicon

A kinetic 3D lattice Monte-Carlo (MC)model is introduced, which allows to describe the evolution of boron-rich silicon, especially the formation of boron-interstitial clusters of various structures and compositions. Using a refined bcc lattice with lattice constant abcc = aSi/4 a large variety of defect configurations can be mapped essentially without geometrical distortions. The energetics of defects can be specified by means of a set of energy parameters. Boron diffusion is implemented via an interstitial-assisted mechanism. First results of interstitial-mediated boron clustering are presented. The future capabilities to study the kinetics of BnIm cluster formation are outlined.