“…In addition, the PL line shape is not enough as a fingerprint of a specific defect, although the same line shape indicates that these defects may have the same point group symmetry and electron–phonon couplings, which correspond to the same phonon sideband (PSB). In fact, the complete fingerprints of color centers in solid wide-band-gap materials mainly includethe ZPL, PSB, Huang–Rhys factor, radiative lifetime, zero-field-splitting (ZFS), and hyperfine (HF) coupling constants, and these fingerprint parameters can be evaluated by experiments and DFT calculations. ,, For instance, the atomic structure of the V B –1 ensemble in the hBN flake has been successfully identified by DFT calculations combined with PL and ODMR experiments. , However, only a few color centers in hBN or silicon carbide and diamond have spin triplet states ( S ≥ 1) and hyperfine structure, which can be identified by ODMR spectra that are related to the ZFS and HF constants. At present, apart from the V B –1 ensemble in the hBN flake, the atomic structures of the other luminescence defects or quantum emitters in hBN are speculative based on the DFT calculations and PL spectra.…”