Nanotech 2001 Vol. 2
Nanotech 2001 Vol. 2
Technical Proceedings of the 2001 International Conference on Computational Nanoscience and Nanotechnology

Atomic and Nanoscale Modeling Chapter 5

Ab Initio Modeling of Boron Clustering in Silicon

Authors: W. Windl, X-Y. Liu and M.P. Masquelier

Affilation: Motorola, United States

Pages: 112 - 116

Keywords: ab initio, boron clustering, deactivation, multi-scale process modeling

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.

Ab Initio Modeling of Boron Clustering in Silicon

ISBN: 0-9708275-3-9
Pages: 218