Fig. 6: Optical spectra of emission.
From: Theory of the divacancy in 4H-SiC: impact of Jahn-Teller effect on optical properties
Blue lines are luminescence lineshapes calculated using HR theory, while the orange lines are lineshapes calculated using DJT theory. The gray area represents experimental data from refs. 31,42. The small peak marked with a star ′\(*\)′ in the experimental curve for hk-VV0 is the ZPL of hh-VV0 and should be disregarded in the comparison between theory and experiment. The intensities of the experimental lineshapes have been scaled to match the peaks of the computed lineshapes. Results reported here are computed at the r2SCAN level of theory and extrapolated to the dilute limit, approximated by a (23 × 23 × 7) supercell with 29,622 atomic sites.
