Band structure analysis of the magneto-optical effect in bcc Fe.

Magneto-optical effects are among the basic tools for characterization of magnetic materials. Although these effects are routinely calculated by the ab initio codes, there is very little knowledge about their origin in the electronic structure. Here, we analyze the magneto-optical effect in bcc Fe and show that it originates in avoided band-crossings due to the spin-orbit interaction. Therefore, only limited number of bands and k-points in the Brillouin zone contribute to the effect. Furthermore, these contributions always come in pairs with opposite sign but they do not cancel out due to different band curvatures providing different number of contributing reciprocal points. The magneto-optical transitions are classified by the dimensionality of the manifold that is formed by the hybridization of the generating bands as one- or two-dimensional, and by the position relative to the magnetization direction as parallel and perpendicular. The strongest magneto-optical signal is provided by two-dimensional parallel transitions.