Fig. 3: BSE optical spectra and exciton wavefunctions.
From: Intersystem crossing and exciton–defect coupling of spin defects in hexagonal boron nitride
Absorption spectra of the a TiVV, b MoVV, and c SiVV defects in h-BN at the level of G0W0 + BSE@PBE0(α). The left and right panels provide absorption spectra for two different energy ranges, where the former is magnified by a factor of 40 for TiVV and MoVV and a factor of 5 for SiVV for increasing visibility. A spectral broadening of 0.02 eV is applied. The exciton wavefunctions of d TiVV, e MoVV and f SiVV are shown on the right for the first peak.
