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    Interplay of orbital-selective Mott criticality and flat-band physics in La3Ni2O6

    Frank Lechermann, Steffen Bötzel, and Ilya M. Eremin

    Phys. Rev. B 112, 245125 – Published 11 December, 2025

    DOI: https://doi.org/10.1103/3r7g-89r8

    Abstract

    Superconductivity in nickelates apparently takes place in two different Ni oxidation regimes, namely either for infinite-layer-type compounds close to Ni+, or for Ruddlesden-Popper materials close to Ni2+. The reduced La3Ni2O6 bilayer with a nominal Ni1.5+ oxidation state may therefore serve as a normal-state mediator between the two known families of 3d8-like and 3d9-like superconducting nickelates. Using first-principles many-body theory, we explain its experimental 55 meV charge gap as originating from a different type of correlated (quasi-)insulator. Flat-band electrons of Ni−dz2 character become localized from scattering with orbital-selective Mott-localized Ni−dx2−y2 electrons, by trading in residual hopping energy for a gain in local exchange energy in a ferromagnetic Kondo-lattice scenario. Most importantly, the flat-band electrons offer another route to unconventional superconductivity in nickelates at ambient pressure.

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