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Theoretical results of NiWO4 and Fe0.5Ni0.5WO4 SCES. (A) Model structure of NiWO4 (top) and Fe0.5Ni0.5WO4 (bottom) from the DFT calculations. (B, C) Electronic structure of NiWO4 of DOS (U = 0) and PDOS plots (U Ni = 6.6 eV; U W = 3.4 eV) (B) and band structure with the considered U value (C). (D, E) Electronic structure of Fe0.5Ni0.5WO4. The DOS and PDOS plot (D) and the band structure with the U value (E).
