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Spin qubits with long dephasing times are an essential requirement for thedevelopment of new quantum technologies and have many potential applicationsranging from quantum information processing to quantum memories and quantumnetworking. Here we report a theoretical study and the calculation of the spindephasing time of defect color centers for the negatively charged nitrogenvacancy center in diamond. We employ ab initio density functional theory tocompute the electronic structure, and extract the dephasing time using acumulant expansion approach. We find that phonon-induced dephasing is alimiting factor for T2 at low temperatures, in agreement with recentexperiments that use dynamical decoupling techniques. This approach can begeneralized to other spin defects in semiconductors, molecular systems, andother band gapped materials.

Phonon Induced Spin Dephasing Time of Nitrogen Vacancy Centers in Diamond from First Principles