Ab Initio Electronic and Optical Properties of the N-V(-) Center in Diamond
Faruque M Hossain, Marcus W Doherty, Hugh F Wilson, Lloyd CL Hollenberg
PHYSICAL REVIEW LETTERS | AMER PHYSICAL SOC | Published : 2008
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 im..View full abstract
Related Projects (1)
Awarded by Australian Research Council
This project was supported by Quantum Communications Victoria, which is funded by the Victorian Government's Science, Technology and Innovation initiative, the Australian Research Council (Project No. DP0770715), and the International Science Linkages program.