Fig. 4

PL mechanisms of Cs₃LnCl₆. The relevant partial charge density maps for CB (top) and VB (bottom) regions of (a) Cs₃CeCl₆ and (c) Cs₃EuCl₆. The PDOS of (b) Cs₃CeCl₆ and (d) Cs₃EuCl₆. e Schematic diagram of the proposed transition mechanisms of Cs₃LnCl₆ (Ln = Ce, Pr, Tb, Eu, and Yb)