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Physical Review B
We propose a simple theoretical description of the metal-insulator transition of rare-earth nickelates. The theory involves only two orbitals per nickel site, corresponding to the low-energy anti-bonding e_g states. In the monoclinic insulating state, bond-length disproportionation splits the manifold of e_g bands, corresponding to a modulation of the effective on-site energy. We show that, when subject to a local Coulomb repulsion U and Hund's coupling J, the resulting bond-disproportionateddoi:10.1103/physrevb.91.075128 fatcat:v3rvog46kbgyddki5yo23gsgou