Journal
PHYSICAL REVIEW LETTERS
Volume 101, Issue 22, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.101.226403
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Funding
- Victorian Government's Science, Technology and Innovation initiative
- Australian Research Council [DP0770715]
- International Science Linkages program
- Australian Research Council [DP0770715] Funding Source: Australian Research Council
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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 3x3x3 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.
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