作者: M. Strobel , A. La Magna , S. Coffa
DOI: 10.1016/S0168-583X(01)00916-8
关键词: Kinetics 、 Computational chemistry 、 Boron 、 Cluster analysis 、 Silicon 、 Lattice constant 、 Cluster (physics) 、 Kinetic energy 、 Materials science 、 Molecular physics 、 Lattice (order)
摘要: Abstract A kinetic 3D lattice Monte-Carlo (MC) model is introduced, which allows to describe the evolution of boron-rich silicon, especially formation boron-interstitial clusters various structures and compositions. Using a refined bcc with constant abcc=aSi/4 large variety defect configurations can be mapped essentially without geometrical distortions. The energetics defects specified by means set energy parameters. Boron diffusion implemented via an interstitial-assisted mechanism. First results interstitial-mediated boron clustering are presented. future capabilities study kinetics BnIm cluster outlined.