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The split silicon-vacancy defect (SiV) in diamond is an electrically andoptically active color center. Recently, it has been shown that this colorcenter is bright and can be detected at the single defect level. In addition,the SiV defect shows a non-zero electronic spin ground state that potentiallymakes this defect an alternative candidate for quantum optics and metrologyapplications beside the well-known nitrogen-vacancy color center in diamond.However, the electronic structure of the defect, the nature of opticalexcitations and other related properties are not well-understood. Here wepresent advanced \emph{ab initio} study on SiV defect in diamond. We determinethe formation energies, charge transition levels and the nature of excitationsof the defect. Our study unravel the origin of the dark or shelving state forthe negatively charged SiV defect associated with the 1.68-eV photoluminescencecenter.

An \emph{ab initio} study on split silicon-vacancy defect in diamond: electronic structure and related properties