| Autor: |
K.M. Etmimi, P.R. Briddon, A.M. Abutruma, A. Sghayer, S.S. Farhat |
| Jazyk: |
angličtina |
| Rok vydání: |
2016 |
| Předmět: |
|
| Zdroj: |
Condensed Matter Physics, Vol 19, Iss 3, p 33301 (2016) |
| Druh dokumentu: |
article |
| ISSN: |
1607-324X |
| DOI: |
10.5488/CMP.19.33301 |
| Popis: |
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. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
|
