- Ab initio studies of fluorine passivation on the electronic structure of the NV- defect in nanodiamond.
Ab initio studies of fluorine passivation on the electronic structure of the NV- defect in nanodiamond.
Journal of nanoscience and nanotechnology (2013-02-21)
H Pinto, D W Palmer, R Jones, J P Goss, P R Briddon, S Oberg
PMID23421248
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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