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The ground state spin of the negatively charged nitrogen-vacancy center indiamond has been the platform for the recent rapid expansion of new frontiersin quantum metrology and solid state quantum information processing. In ambientconditions, the spin has been demonstrated to be a high precision magnetic andelectric field sensor as well as a solid state qubit capable of coupling withnearby nuclear and electronic spins. However, in spite of its many outstandingdemonstrations, the theory of the spin has not yet been fully developed andthere does not currently exist thorough explanations for many of itsproperties, such as the anisotropy of the electron g-factor and the existenceof Stark effects and strain splittings. In this work, the theory of the groundstate spin is fully developed for the first time using the molecular orbitaltheory of the center in order to provide detailed explanations for the spin'sfine and hyperfine structures and its interactions with electric, magnetic andstrain fields.

physical review. b, condensed matter and materials physics

Theory of the ground state spin of the NV- center in diamond: I. Fine  structure, hyperfine structure, and interactions with electric, magnetic and  strain fields