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\emph{Ab initio} theory of nitrogen-vacancy center in diamond

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arxiv 1906.00047 v3 pith:I5BXHTCN submitted 2019-05-31 quant-ph cond-mat.str-elphysics.atom-phphysics.comp-ph

classification quant-phcond-mat.str-elphysics.atom-phphysics.comp-ph
keywords centernitrogen-vacancyquantumstatesdefectdiamondemphinitio
verification ladder T0 review T1 audit T2 compute T3 formal
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Nitrogen-vacancy center in diamond is a solid state defect qubit with favorable coherence time up to room temperature which could be harnessed in several quantum enhanced sensor and quantum communication applications, and has a potential in quantum simulation and computing. The quantum control largely depends on the intricate details about the electronic structure and states of the nitrogen-vacancy center, radiative and non-radiative rates between these states and the coupling of these states to external spins, electrical, magnetic and strain fields and temperature. In this review paper it is shown how first principles calculations contributed to understanding the properties of nitrogen-vacancy center, and will be briefly discussed the issues to be solved towards full \emph{ab initio} description of solid state defect qubits.

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