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Lookup NU author(s): Professor Patrick Briddon
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In this paper we investigate N2-On defect complexes in Czochralski silicon (Cz-Si) by means of local density functional theory. We consider the N2O and the N2 O2 defect and determine their structural, electronic and vibrational properties. The calculated local vibrational modes of the N2O defect are in good agreement with the experiment. Furthermore the calculated binding energy matches very well with the experimental estimate. Motivated by recent experimental work, where several new absorption lines in IR absorbance spectra were observed, we present first principle studies on the ground state configuration, binding energy and local vibrational modes of the N2 O2 defect and make a tentative assignment to the experimentally observed lines at 1018 and 810 cm-1. © Springer Science+Business Media, LLC 2007.
Author(s): Fujita N, Jones R, Oberg S, Briddon PR
Publication type: Article
Publication status: Published
Journal: Journal of Materials Science: Materials in Electronics
Print publication date: 01/07/2007
ISSN (print): 0957-4522
ISSN (electronic): 1573-482X
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