Nano Science and Technology Institute
Nanotech 2001 Vol. 2
Nanotech 2001 Vol. 2
Technical Proceedings of the 2001 International Conference on Computational Nanoscience and Nanotechnology
Chapter 5: Atomic and Nanoscale Modeling

Ab Initio Modeling of Boron Clustering in Silicon

Authors:W. Windl, X-Y. Liu and M.P. Masquelier
Affilation:Motorola, US
Pages:112 - 116
Keywords:ab initio, boron clustering, deactivation, multi-scale process modeling
Abstract: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.
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