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 \(3{d}_{{x}^{2}-{y}^{2}}\) 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.

我们报告了双能带模型的行列式量子蒙特卡罗研究，受到无限层镍酸盐的启发，重点关注 \(3{d}_{{x}^{2}-{y}^ 之间层间杂化的影响{2}}\) 轨道源自一层中的 Ni（或 Ni 和 O），另一层中源自稀土 (R) 5d 轨道，以下分别为 Ni 层和 R 层。对于两层之间平均共享一个电子的填充，层间杂化会导致 Ni 层中出现“自掺杂”空穴，并且不存在反铁磁有序性，而是出现自旋密度和电荷密度条纹状随着层间杂化的增加，Ni 层和 R 层都产生反铁磁相关性，尽管任一层都远离半填充，大致与层内最近邻跳跃 t _Ni ，该模型开发了类近藤物理学的特征。