Many-body GW calculations predict that NV- centers in (111) nitrogen-terminated diamond must sit deeper than about 4 nm below the surface to avoid surface-induced ionization, a limit that plain DFT does not show.
Single defect centres in diamond: A review
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Surface coupling of NV centers over nanoscale lengths
Many-body GW calculations predict that NV- centers in (111) nitrogen-terminated diamond must sit deeper than about 4 nm below the surface to avoid surface-induced ionization, a limit that plain DFT does not show.