Fangze Liu, Cheng Peng, Edwin W. Huang, Brian Moritz, Chunjing Jia, Thomas P. Devereaux
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引用次数: 0
摘要
我们报告了受无限层镍酸盐启发而对双带模型进行的行列式量子蒙特卡洛研究,重点研究了一层中来自镍(或镍和O)的(3{d}_{{x}^{2}-{y}^{2}})轨道与另一层中稀土(R)5d轨道之间的层间杂化的影响,以下分别称为镍层和R层。对于两层平均共用一个电子的填充物,层间杂化会导致镍层出现 "自掺杂 "空穴,并且没有反铁磁有序,而是出现自旋密度和电荷密度的条纹状状态。随着层间杂化程度的增加,镍层和 R 层都会出现反铁磁关联,即使其中任何一层仍然远离半填充。对于中间范围内的杂化(与层内近邻跳变 tNi 大致相当),模型出现了类似近藤物理的特征。
Emergence of antiferromagnetic correlations and Kondolike features in a model for infinite layer nickelates
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 tNi, the model develops signatures of Kondo-like physics.
期刊介绍:
npj Quantum Materials is an open access journal that publishes works that significantly advance the understanding of quantum materials, including their fundamental properties, fabrication and applications.