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Results of DFT calculations: electronic band structure, total (black), along with projected DOS (indicated by color), are illustrated for (a) (PEA)2PbBr4, (b) (PEA1.5BZA0.5)PbBr4, (c) (PEABZA)PbBr4, and (d) (BZA)2PbBr4 crystals. In these representations, the Pb p, Br p, N p, C p, and H s orbitals are depicted by red, green, blue, magenta, and orange lines, respectively.
