title: Ab initio electronic and optical properties of the N - v- center in diamond.
abstract: Despite tremendous activity in employing the N- V- center in a host of quantum technology applications, the electronic and optical properties of the system are still not theoretically well understood. We have conducted density functional theory calculations of the N- V- system which show convergence at the 3 x 3 x 3 supercell level and for the first time produce a quantitatively accurate picture of the optical transition energy, excited-state lifetime, and optical polarization anisotropy taking into account all possible transitions within all contributing energy bands. These calculations were augmented by a group theoretical analysis, in sum providing a new ab initio understanding of this important solid-state quantum system.
authors.affiliation: Quantum Communications Victoria, School of Physics, University of Melbourne, Victoria 3010, Australia. fhossain@unimelb.edu.au
authors.forename: Faruque M
authors.initials: FM
authors.lastname: Hossain
authors.forename: Marcus W
authors.initials: MW
authors.lastname: Doherty
authors.forename: Hugh F
authors.initials: HF
authors.lastname: Wilson
authors.forename: Lloyd C L
authors.initials: LC
authors.lastname: Hollenberg