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. 2020 Feb 12;21(6):546–551. doi: 10.1002/cphc.201901088

Figure 1.

Figure 1

Dependence of the optical band gap Eopt of ZnFe2O4 on the Hubbard parameter U eff. Calculations are carried out with PBE+U (U eff=0.3, 0.4, 0.5, 0.6, 1.0, 3.0, 5.0 eV)/evGW/BSE, all calculations including vertex corrections.