Abstract
An atomically accurate model for vacancy aggregation is presented. The model is based on two recently developed elements: (1) an accurate set of point defect properties derived from extensive model regression to multiple types of experimental data, and (2) a new description of point defect clusters at elevated temperature, which includes previously neglected entropic contributions. The latter are found to substantially alter both the cluster thermodynamics and the cluster structures, leading to modified clustering dynamics during crystal growth and wafer annealing. The model is tested extensively against experimental measurements of void densities, sizes, and aggregation temperatures, and is found to provide excellent agreement with experimental data across a wide range of crystal growth conditions.
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