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Ab Initio Studies of Fluorine Passivation on the Electronic Structure of the NV- Defect in Nanodiamond

Lookup NU author(s): Professor Jon Goss, Professor Patrick Briddon


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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.

Publication metadata

Author(s): Pinto H, Palmer DW, Jones R, Goss JR, Briddon PR, Oberg S

Publication type: Article

Publication status: Published

Journal: Journal of Nanoscience and Nanotechnology

Year: 2012

Volume: 12

Issue: 11

Pages: 8589-8593

Print publication date: 01/11/2012

ISSN (print): 1533-4880

ISSN (electronic): 1533-4899

Publisher: American Scientific Publishers


DOI: 10.1166/jnn.2012.6821


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