Understanding the structural, electronic, magnetic and optical properties of spinel MFe2O4 (M = Mn, Co, Ni) ferrites.

Structural, electronic, magnetic and optical properties of MFe 2 O 4 (M = Mn, Co, Ni) ferrites are studied by first-principles approach. MFe 2 O 4 ferrites exhibit stable structure in ferromagnetic phase. Density of states (DOS) and electronic band structures reveal that all ferrites show favorable spin polarization behavior in applications point-of-view. The CoFe 2 O 4 ferrite shows half-metallic ferromagnetic characteristics with direct band gap, E g = 0.713 eV in spin↑ state while NiFe 2 O 4 shows spin gapless ferromagnetic behavior (with E g = 0.0 at E F) in spin↑ state. The MnFe 2 O 4 ferrite is found to have magnetically conducting behavior. MFe 2 O 4 (M = Co, Ni) ferrites indicate 100% spin polarization at E F. The electronic band structures reveal electronic transition between O-2 p to Fe-3 d states in valence band (VB) or d-d transition between Fe-3 d valence and conduction bands. The optical properties shows that the MFe 2 O 4 (M = Mn, Co, Ni) ferrites exhibit transparent behavior to ultraviolet light indicating their suitability for use in optical filters and sensors. [ABSTRACT FROM AUTHOR]