Fig. 4: Multiplet structure of triplet defects. | npj Computational Materials

Fig. 4: Multiplet structure of triplet defects.

From: Intersystem crossing and exciton–defect coupling of spin defects in hexagonal boron nitride

Fig. 4

Multiplet structure and related radiative and nonradiative recombination rates of the a TiVV defect and the b MoVV defect in h-BN, computed at T = 10 K. The radiative process is shown in red with zero-phonon line (ZPL) and radiative lifetime (τR); the ground state nonradiative recombination (τNR) is denoted with a dashed line in dark blue; and finally the intersystem crossing (ISC) to the singlet state from the triplet excited state is shown in light blue. The zero-field splitting (D) is denoted by the orange line. For the TiVV defect, the pseudo-Jahn–Teller (PJT) process is shown with a solid line in dark blue.

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