Fig. 5: Configuration coordinate diagrams.
From: Intersystem crossing and exciton–defect coupling of spin defects in hexagonal boron nitride
Configuration diagram of the a TiVV defect and b MoVV defect in h-BN. The potential energy surfaces for each state are as follows: the triplet ground state in black, triplet excited state in blue, and for the TiVV defect the pseudo-Jahn–Teller triplet excited state in red. The zero-phonon lines (ZPL) are given as the energetic separation between the minima of the respective potential energy surfaces, along with the corresponding Huang–Rhys factors (S). The dashed black line represents the vertical excitation energy between triplet ground and excited states, and ΔEFC represents relaxation energy to equilibrium geometry at the excited state.
