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

作者：Pinto H^*; Palmer D W; Jones R; Goss J R; Briddon P R; Oberg S

来源：Journal of Nanoscience and Nanotechnology, 2012, 12(11): 8589-8593.

DOI：10.1166/jnn.2012.6821

• Nanodiamond
• NV Defect
• Diamond Surface
• Fluorination

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.

• 出版日期2012-11