Fig. 2: Charge transfer at the Fe/Fe3O4 interface and the effect of the presence of FeO-like complexion.

a Charge transfer at the Fe/Fe3O4 interface when the body-centered cubic (BCC)-Fe layer is coupled ferromagnetically (FM) to the outermost FeO2-terminated Fe3O4 layer (all Fe spins pointing down), and b with the BCC-Fe layer antiferromagnetically (AF) coupled to Fe3O4. c Charge transfer when a four-layer FeO complexion is located between BCC-Fe and Fe3O4, both at the FeO/Fe3O4 (left) and the BCC-Fe/FeO (right) interfaces. For each subplot is shown the in-plane projection of the charge transfer Δρ in the vicinity of the interface and the line profile in the direction normal to the interface plane as a function of the distance z − zint. to the interface height zint.. Crystallographic orientations are given with respect to the BCC-Fe lattice.