Band Structure in the High Temperature Phase of Fe₃O₄

Abstract

Band structure of the ferrimagnetic Fe 3 O 4 was calculated in the high temperature cubic phase by means of self-consistent APW method. Though the obtained band structure corresponds closely with the ionic Néel model, it was shown that the itinerant electron model is more adequate than the localized electron model. The minority spin d ε bands of B site iron have an electron Fermi surface at the \( \varGamma \) point and hole surfaces around the W point. Experimental data including photoelectron emission, optical reflectivity, neutron scattering and transport phenomena were discussed qualitatively in relation to the calculated band structure.