Stability and electronic structure of NV centers at dislocation cores in diamond
Stability and electronic structure of NV centers at dislocation cores in diamond
We present a density functional theory analysis of the negatively charged nitrogen-vacancy (NV) defect complex located at or close to the core of ${30}^{\ensuremath{\circ}}$ and ${90}^{\ensuremath{\circ}}$ partial glide dislocations in diamond. Formation energies, electronic densities of states, structural deformations, hyperfine structure, and zero-field splitting parameters of NV centers in such …