Fig. 1: C_B–O_NV_B DAPs in hBN.

a The numbers indicate the positions of C_B at various distances in the hBN lattice (boron and nitrogen atoms are shown as gray and green spheres, respectively). In this panel, C_B is placed at site 1 (brown sphere). b Distance-dependent ZPL energies corresponding to the intrinsically bright optical transition, calculated without including non-radiative processes. Source data are provided as a Source Data file. c Electronic structure of the defects in the ground state. Number 10 corresponds to the isolated \({{{{\rm{O}}}}}_{{{{\rm{N}}}}}{{{{{\rm{V}}}}}_{{{{\rm{B}}}}}}^{-}\) defect, shown for reference. The irreducible representations of defect levels under C_2v symmetry are indicated. a₁ and b₁ denote levels with in-plane localized wavefunctions, while a₂ and b₂ correspond to out-of-plane extended orbitals. Filled and unfilled triangles represent occupied and unoccupied defect levels within the gap, respectively, and the direction of the triangle indicates spin-majority or spin-minority character.