Towards an accurate electronic structure of single photon emitters in hexagonal boron nitride

We systematically examine single photon emission from defects in h-BN, critical for room-temperature quantum devices. Using full configuration interaction quantum Monte Carlo, we determine electronic states, revealing high-spin ground states and correcting prior misunderstandings. We identify two sources for visible luminescence—including a doublet-doublet transition—shedding light on correlated electronic states and establishing a theoretical foundation for advancing quantum technologies.

• Y. Chen et al. Phys. Rev. Res. 7, L012079 (2025)