We present results of ab initio calculations for the structure and energetic of boron-interstitial clusters in Si and a respective continuum model for the nucleation, growth, and dissolution of such clusters. The structure of the clusters and their possible relationship to boron precipitates and interstitial-cluster formation are discussed. Our continuum model suggests that inclusion of the fractional activation of charged clusters into the overall carrier count can make a substantial difference, if a sample contains a large fraction of B clustered in B3I- clusters, which might present a way to probe these clusters experimentally.
Journal: TechConnect Briefs
Volume: 2, Technical Proceedings of the 2001 International Conference on Computational Nanoscience and Nanotechnology
Published: March 19, 2001
Pages: 112 - 116
Industry sector: Advanced Materials & Manufacturing
Topic: Informatics, Modeling & Simulation