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Nitrogen-vacancy diamond sensor: novel diamond surfaces from ab initio simulations

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Abstract

The great properties of the paramagnetic nitrogen-vacancy (NV) color center in diamond predestine it for nanoscale sensor applications; however, these properties are often compromised when NV centers reside near diamond surface for sensing. Here we show in a mini review that first-principles calculations can characterize diamond surfaces and predict the ideal surface terminators to host NV sensors. We discuss technical issues on the modeling of NV centers close to diamond surfaces, and results on the most employed diamond (100) and the most promising (111) surfaces with various terminators involving hydrogen, oxygen, fluorine, and nitrogen are presented.

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ACKNOWLEDGMENTS

This work was financially supported by the EU FP7 611143 (DIADEMS).

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Authors and Affiliations

  1. Institute for Solid State Physics and Optics, Wigner Research Centre for Physics, Hungarian Academy of Sciences, Budapest, POB 49, H-1525, Hungary

    Jyh-Pin Chou & Adam Gali

  2. Department of Atomic Physics, Budapest University of Technology and Economics, Budafoki út 8, H-1111, Budapest, Hungary

    Adam Gali

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  1. Jyh-Pin Chou
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  2. Adam Gali
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Correspondence to Adam Gali.

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Chou, JP., Gali, A. Nitrogen-vacancy diamond sensor: novel diamond surfaces from ab initio simulations. MRS Communications 7, 551–562 (2017). https://doi.org/10.1557/mrc.2017.75

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