Fig. 7: Optical spectra of absorption.
From: Theory of the divacancy in 4H-SiC: impact of Jahn-Teller effect on optical properties
Blue lines are absorption lineshapes calculated using HR theory, while the orange lines are absorption lineshapes calculated using DJT theory. 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.
