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Advances in Materials Science and Engineering
Volume 2009, Article ID 309209, 3 pages
Research Article

Systematic Investigation of Gettering Effects on 4th Row Element Impurities in Si by Dopant Atoms

Department of System Engineering, Okayama Prefectural University, 111 Kuboki, Soja, Okayama 719-1197, Japan

Received 2 September 2009; Accepted 13 November 2009

Academic Editor: Richard Hennig

Copyright © 2009 Koji Sueoka et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


The gettering of 4th row element impurities (K, Ca, 3d transition metals, and Zn) in Si crystals by dopant atoms was systematically investigated by first-principles calculation through evaluation of the diffusion barrier and the binding energy. The dopant atoms considered include p-type dopants (B), n-type dopants (P, As, Sb), or light elements (C, O). It was found that (1) the diffusion barrier of impurity atoms decreases with an increase in their atomic number up to Ni, (2) B atom becomes an efficient gettering center for metals except for Ni, (3) most of the metals except for Fe and Co cannot be gettered by n-type dopants, and (4) C and O atoms alone do not become efficient gettering centers for the metals used in actual LSI processes. The vacancy 𝑉 𝑐 and n-type dopant complexes (P 𝑉 𝑐 , As 𝑉 𝑐 , Sb 𝑉 𝑐 ) can be efficient gettering centers for Cu in n/n+ epitaxial wafers.