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Lookup NU author(s): KHALED Etmimi,
Professor Patrick Briddon
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A few studies have been recently presented for the existence of oxygen in diamond, for example, the N3 EPR centres have been theoretically and experimentally assigned the model made up from complex of substitutional nitrogen and substitutional oxygen as nearest neighbours. We present ab initio calculations of substitutional oxygen in diamond in terms of stability, electronic structures, geometry and hyperfine interaction and show that substitutional oxygen with C-2v, S = 1 is the ground state configuration. We find that oxygen produces either a donor or acceptor level depending on the position of the Fermi level.
Author(s): Etmimi KM, Briddon PR, Abutruma AM, Sghayer A, Farhat SS
Publication type: Article
Publication status: Published
Journal: Condensed Matter Physics
Acceptance date: 22/12/2015
ISSN (print): 1607-324X
ISSN (electronic): 2224-9079
Publisher: Institute for Condensed Matter Physics
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