Landscape of coexisting excitonic states in the insulating single-layer cuprates and nickelates

@article{Lane2020LandscapeOC,
  title={Landscape of coexisting excitonic states in the insulating single-layer cuprates and nickelates},
  author={Christopher A. Lane and Jian-Xin Zhu},
  journal={Physical Review B},
  year={2020}
}
We present an $\textit{ab initio}$ study of the excitonic states of a prototypical high-temperature superconductor La$_2$CuO$_4$ and compare them to the isostructural single-layer nickelate La$_2$NiO$_4$. Key difference in the low-energy electronic structure leads to very different excitonic behavior. Excitons in La$_2$CuO$_4$ are delocalized and can freely move in the CuO$_2$ plane without disturbing the antiferromagnetic order. In contrast, in La$_2$NiO$_4$ we find the low-lying excitonic… 

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