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

arxiv(2024)

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摘要
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_Ni, the model develops signatures of Kondo-like physics.
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