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First-principle study on the identification of nitrogen-oxygen defect complexes in silicon

Lookup NU author(s): Professor Patrick Briddon


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Local density functional theory is used to investigate the interaction of nitrogen with oxygen in Cz-Si. The binding energy of O with N2 and the positions of four local vibrational modes of the N2O center are in good agreement with experiment. The N2O2 defect is the most common nitrogen-oxygen defect after N2O and we suggest that the experimentally observed lines at 1018 and 810 cm-1 are due to this defect. The concentrations of these defects are greater than those of oxygen dimers at temperatures around 650°C. Furthermore these defects could be nuclei for oxygen precipitates in nitrogen doped Cz-Si. Neither NO nor N 2O play any significant role. copyright The Electrochemical Society.

Publication metadata

Author(s): Fujita N, Jones R, Oberg S, Briddon PR

Publication type: Conference Proceedings (inc. Abstract)

Publication status: Published

Conference Name: ECS Transactions: 210th ECS Meeting

Year of Conference: 2006

Pages: 127-133

ISSN: 1938-5862

Publisher: Electrochemical Society, Inc.


DOI: 10.1149/1.2355751

Library holdings: Search Newcastle University Library for this item

ISBN: 19386737