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Ab Initio Magneto-Optical Spectrum of Group-IV Vacancy Color Centers in Diamond

MetadataDetails
Publication Date2018-06-11
JournalPhysical Review X
AuthorsGergő Thiering, Adam Gali, Gergő Thiering, Adam Gali
InstitutionsWigner Research Centre for Physics, Hungarian Academy of Sciences
Citations145

Group-IV — Vacancy color centers in diamond are fast emerging qubits that\ncan be harnessed in quantum communication and sensor applications. There is an\nimmediate quest for understanding their magneto-optical properties, in order to\nselect the appropriate qubits for varying needs of particular quantum\napplications. Here we present results from cutting edge \emph{ab initio}\ncalculations about the charge state stability, zero-phonon-line energies,\nspin-orbit and electron-phonon couplings for Group-IV — Vacancy color centers.\nBased on the analysis of our results, we develop a novel spin Hamiltonian for\nthese qubits which incorporates the interaction of the electron spin and orbit\ncoupled with phonons beyond perturbation theory. Our results are in good\nagreement with previous data and predict a new defect for qubit applications\nwith thermally initialized ground state spin and long spin coherence time.\n