GW‐BSE Calculations of Electronic Band Gap and Optical Spectrum of ZnFe2O4: Effect of Cation Distribution and Spin Configuration
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DOI: 10.1002/cphc.201901088
Abstract: Abstract The G0W0, evGW0, evGW, and scGW0 approximations to many‐body perturbation theory combined with the Bethe‐Salpeter approach (BSE) are applied to calculate electronic and optical properties of the open‐shell spinel ferrite ZnFe2O4. The effect of… read more here.
Keywords: band gap; znfe2o4 effect; spectrum;