Ab initio studies of fluorine passivation on the electronic structure of the NV- defect in nanodiamond.
J Nanosci Nanotechnol
; 12(11): 8589-93, 2012 Nov.
Article
em En
| MEDLINE
| ID: mdl-23421248
ABSTRACT
We have investigated using density functional theory the effect of fluorine termination of a (001) diamond surface on the electronic energy levels of an NV- centre buried beneath the surface. We find that, like OH termination, fluorine passivates the surface and reduces the influence of the surface on the electronic properties of the NV- centre. The results have significance for the optical properties of NV- defects in nanodiamonds.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Modelos Moleculares
/
Diamante
/
Nanoestruturas
/
Flúor
/
Modelos Químicos
Idioma:
En
Revista:
J Nanosci Nanotechnol
Ano de publicação:
2012
Tipo de documento:
Article
País de afiliação:
Reino Unido