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Based on first-principles calculations, the evolution of the electronic and magnetic properties of transition metal dihalides MX₂4pt{0ex} (M=V, Mn, Fe, Co, Ni; X=Cl, Br, I) is analyzed from the bulk to the monolayer limit. A variety of magnetic ground states is obtained as a result of the competition between direct exchange and superexchange. The results predict that FeX₂, NiX₂, CoCl₂, and CoBr₂ monolayers are ferromagnetic insulators with sizable magnetocrystalline anisotropies. This makes them ideal candidates for robust ferromagnetism at the single-layer level. Our results highlight the importance of spin-orbit coupling to obtain the correct ground state in these materials.
Botana et al. (Mon,) studied this question.