Density functional theory study of substitutional oxygen in diamond

• Published in: Condensed Matter Physics
• Date: 2016
• Main Authors: Etmimi, K.M., Briddon, P.R., Abutruma, A.M., Sghayer, A., Farhat, S.S.
• Format: Article
• Language: English
• Published: Інститут фізики конденсованих систем НАН України 2016
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/156202
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Density functional theory study of substitutional oxygen in diamond / K.M. Etmimi, P.R. Briddon, A.M. Abutruma, A. Sghayer, S.S. Farhat // Condensed Matter Physics. — 2016. — Т. 19, № 3. — С. 33301: 1–7. — Бібліогр.: 32 назв. — англ.

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 cal...