Donut Chart from Scientific Research

The wavefunctions of the two excitons are decomposed in the atomic basis. The purple shading denotes the Frenkel component, that is, the probability of having both the electron and the hole (forming the excitons) on the same Cr atom, whereas orange represents the probability of having the electron and hole on different Cr atoms. The yellow colour represents contributions from d – p hybridized states between Cr and S or Br atoms. Whereas the XL exciton has a rather large on-site Frenkel component, this Frenkel component nearly vanishes for the XH exciton.

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