Dynamic Jahn-Teller Effect in Negatively Charged Nitrogen-Vacancy Center in Diamond

The negatively charged nitrogen-vacancy (NV) center in diamond has attracted much research interest recently owing to its desirable optical properties and long spin coherent lifetime. The ground state of NV$^{- }$center has a $^{3}$A$_{2}$ symmetry, which can be optically excited, to a $^{3}$E state. The excited state is orbitally degenerate therefore should experience either static or dynamic Jahn-Teller (JT) effects. We use accurate first-principles methods to study structural and electronic properties of the NV$^{-}$ center in diamond both in the ground and excited states. Our results indicate that the excited state of the NV$^{-}$ center is indeed a dynamic JT system.