Fig. 4: Calculated spin-orbit excitons.
From: Multiple spin-orbit excitons in α-RuCl3 from bulk to atomically thin layers
a Theoretical Raman spectra in RL polarization calculated with the physical parameters listed in Table 2. The light green line refers to the measured Raman spectra of the bulk sample. b Distributions of single and double spin-orbit (SO) exciton states. Arrows in a, b indicate the theoretical positions of A1 and A2 peaks. c, d Evolution of Raman intensities and the A1 and A2 peaks as functions of trigonal distortion parameter \({{\Delta }}_{\mathit{t}}\) (\(= E_{a_{1g}} - E_{e_g^\pi }\)) and scaled hopping integral strengths. The parameter set is detailed in Table 2. The dotted lines in c, d are twice the A1 peak. Horizontal gray dotted lines in c, d indicate the specific values of the trigonal distortion and scaled hopping integral strengths, which show a discontinuous variation of the peak positions.
