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Lookup NU author(s): Richard Jones, Professor Jon Goss, Professor Patrick Briddon
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The formation of oxygen precipitates and microvoids as well as the movement and growth of dislocations are strongly affected by the presence of nitrogen. However, the diffusion mechanism of nitrogen is unclear with several conflicting reports in the literature. Here, ab initio density functional theory is used to investigate diffusion mechanisms of the nitrogen-pair defect in silicon. We find a new metastable nitrogen-pair defect structure, which is lower in energy than any structures previously considered as intermediate structures in the minimum energy paths. Thus, by including this new metastable structure, we suggest a more likely, alternative reaction path whose barrier is 2.69 eV. This is compared with experimental barriers.
Author(s): Fujita N, Jones R, Goss JP, Frauenheim T, Oberg S, Briddon PR
Publication type: Conference Proceedings (inc. Abstract)
Publication status: Published
Conference Name: Diffusion and Defect Data Pt.B: Solid State Phenomena. 11th International Autumn Meeting on Gettering and Defect Engineering in Semiconductor Technlogy
Year of Conference: 2005
Pages: 407-412
ISSN: 1012-0394
Publisher: Scitec Publications Ltd.
Library holdings: Search Newcastle University Library for this item
ISBN: 9783908451136
