Density functional theory study of substitutional oxygen in diamond

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 calcu...

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Bibliographic Details
Main Authors: K.M. Etmimi, P.R. Briddon, A.M. Abutruma, A. Sghayer, S.S. Farhat
Format: Article
Language:English
Published: Institute for Condensed Matter Physics 2016-09-01
Series:Condensed Matter Physics
Subjects:
Online Access:http://dx.doi.org/10.5488/CMP.19.33301