The 3d-electron states in FeBr2

Abstract

The fundamental controversy about the electronic structure for 3d-electron states in FeBr2 is discussed. We advocate for the localized electron atomic-like many-electron crystal-field approach that yields the discrete energy spectrum, in the scale of 1 meV, associated with the atomic-like states of the Fe2+ ions in contrary to the (semi-)continuous energy spectrum yielded by band theories. In our approach the six d electrons of the Fe2+ ion form the highly-correlated atomic-like electron system 3d6 described by two Hund's rules quantum numbers S=2 and L=2 with taking into account the spin-orbit coupling. The superiority of our model relies in the fact that it explains consistently properties of FeBr2, the insulating and the magnetic ground state as well as thermodynamics and Raman low-energy spectra, using well-established physical concepts. Keywords: 3d magnetism, Hund's rules, spin-orbit coupling, crystal field, FeBr2 PACS: No: 75.50.Ee : 71.15.Mb