Abstract
ABSTRACT The electronic, magnetic, optical and transport properties of ZnFe2O4 compound are calculated using the density functional theory implemented on Wien2k code with GGA + U approximation. The results obtained are in good agreement with the experimental results. In the visible range, ZnFe2O4 has a coefficient of absorption over 104/cm. The first and main critical point calculated with GGA + U appears at 2.10 eV, which is known as optical absorption edge. In addition, the X-ray Magnetic Circular Dichroic (XMCD) spectra exhibit two peaks in L3 edge revealing the existence of Fe3+ and Fe2+ ions, occupying the octahedral sites. Finally, using XMCD and XAS methods, we can calculate the spin and orbital moments of bulk spinel ferrite ZnFe2O4 compound.
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