We present an 'on lattice' Monte Carlo study of defect clustering in a Si matrix. The simulations are based on local interaction models, which allows us to reliably include the energetics of defects obtained by tight binding molecular dynamic calculations. In particular the dependence of cluster stability and reactivity on cluster size and geometrical configuration is considered. Proper accelerated algorithms have been implemented in order to extend simulations to macroscopic time scales. Our simulations show that the stability of specific cluster configurations strongly affects the kinetic evolution of the defect ensemble
Role of cluster size and topology on the ripening of defect aggregates in crystalline Si
La Magna Antonino;
1999
Abstract
We present an 'on lattice' Monte Carlo study of defect clustering in a Si matrix. The simulations are based on local interaction models, which allows us to reliably include the energetics of defects obtained by tight binding molecular dynamic calculations. In particular the dependence of cluster stability and reactivity on cluster size and geometrical configuration is considered. Proper accelerated algorithms have been implemented in order to extend simulations to macroscopic time scales. Our simulations show that the stability of specific cluster configurations strongly affects the kinetic evolution of the defect ensembleFile in questo prodotto:
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