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

作者: M. Strobel , A. La Magna , S. Coffa

DOI: 10.1016/S0168-583X(01)00916-8

关键词: KineticsComputational chemistryBoronCluster analysisSiliconLattice constantCluster (physics)Kinetic energyMaterials scienceMolecular physicsLattice (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.

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