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Origin of Insulating Ferromagnetism in Iron Oxychalcogenide Ce_{2}O_{2}FeSe_{2}
Ling-Fang Lin1, Yang Zhang1, Gonzalo Alvarez2
1Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee 37996, USA.
Abstract:
An insulating ferromagnetic (FM) phase exists in the quasi-one-dimensional iron oxychalcogenide Ce_{2}O_{2}FeSe_{2}, but its origin is unknown. To understand the FM mechanism, here a systematic investigation of this material is provided, analyzing the competition between ferromagnetic and antiferromagnetic tendencies and the interplay of hoppings, Coulomb interactions, Hund's coupling, and crystal-field splittings. Our intuitive analysis based on second-order perturbation theory shows that large entanglements between doubly occupied and half filled orbitals play a key role in stabilizing the FM order in Ce_{2}O_{2}FeSe_{2}. In addition, via many-body computational techniques applied to a multiorbital Hubbard model, the phase diagram confirms the proposed FM mechanism.
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