Fig. 3: Ferromagnetic superexchange mechanism. | npj Computational Materials

Fig. 3: Ferromagnetic superexchange mechanism.

From: Enhancing ferromagnetic coupling in CrXY (X = O, S, Se; Y = Cl, Br, I) monolayers by turning the covalent character of Cr-X bonds

Fig. 3

Superexchange channels between two cations via an intermediate anion: (a) eg-p-t2g, (b) t2g-p-t2g and (c) eg-p-eg. d Schematic diagrams of orbital evolution and superexchange interaction. Red and green bars represent t2g- and eg-orbitals, respectively. Δ1, Δ2 and ΔCF are the energy difference between eg- and p-orbitals, t2g- and p-orbitals and eg- and t2g-orbitals, respectively. Process I, II and III represent the electron hopping between p↑- and eg↑-orbitals, p↓- and t2g↓-orbitals and p↑- and t2g↑-orbitals, respectively. Δex is the exchange splits for Cr-d orbitals.

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