The emergence of antiferromagnetic correlations and Kondo-like features in a two-band model for infinite-layer nickelates

Abstract

We report a determinant quantum Monte Carlo study of a two-band model, inspired by infinite-layer nickelates, focusing on the influence of interlayer hybridization between $3d_{x^2-y^2}$ orbitals derived from Ni (or Ni and O) in one layer and rare-earth ($R$) 5d orbitals in the other layer, hereafter the NI and $R$ layers, respectively. For a filling with one electron shared between the two layers on average, interlayer hybridization leads to "self-doped" holes in the Ni layer and the absence of antiferromagnetic ordering, but rather the appearance of spin-density and charge-density stripe-like states. As the interlayer hybridization increases, both the Ni and $R$ layers develop antiferromagnetic correlations, even though either layer individually remains away from half-filling. For hybridization within an intermediate range, roughly comparable to the intralayer nearest-neighbor hopping $t_{\text{Ni}}$, the model develops signatures of Kondo-like physics.

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Cited by in corpus (1)

• Emergence and tunability of Fermi-pocket and electronic instabilities in layered Nickelates