Fig. 2: Band structure of halide double perovskites. | Communications Materials

Fig. 2: Band structure of halide double perovskites.

From: Manipulation of parity and polarization through structural distortion in light-emitting halide double perovskites

Fig. 2

a Band structure of CAIC, CABC, and CASC with a display of dominant orbital characters. The parity of the valence and conduction band edges is shown in Koster notations. b The corresponding molecular orbital pictures as obtained by analyzing the orbital-resolved band structure and density of states (not shown here). In the inset, the nature of the hybridization among the hybridized Ag-eg and In/Bi/Sb-s orbitals is schematically shown to distinguish the shape of the dispersion in valence and conduction band edges in these compounds.

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