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… 
View PDF on arXiv
2 Citations
Highly Influential Citations
1
Background Citations
1

Figures and Tables from this paper

2 Citations

Acoustic plasmons and conducting carriers in hole-doped cuprate superconductors
The superconductivity of cuprates, which has been a mystery ever since its discovery decades ago, is created through doping electrons or holes into a Mott insulator. There, however, exists an…
Optical and excitonic properties of transition metal oxide perovskites by the Bethe-Salpeter equation
We present a systematic investigation of the role and importance of excitonic effects on the optical properties of transitions metal oxide perovskites. A representative set of 14 compounds has been…

References

SHOWING 1-10 OF 77 REFERENCES
Excitons in insulating cuprates.
TLDR
Electronic excitations near the charge-transfer gap in insulating CuO$_2 planes are studied and excitonic states of the insulator include hybrid $d_{xy}-$ $p_\pi $ states of $A_{2g}$ symmetry.
Superconductivity in an infinite-layer nickelate
TLDR
The observation of superconductivity in an infinite-layer nickelate that is isostructural to infinite- Layer copper oxides11–13 and the possibility of a family of nickelate superconductors analogous to Copper oxides and pnictides25 is suggested.
Antiferromagnetic ground state of La2CuO4 : A parameter-free ab initio description
We show how an accurate first-principles treatment of the antiferromagnetic ground state of ${\mathrm{La}}_{2}{\mathrm{CuO}}_{4}$ can be obtained without invoking any free parameters such as the…
An accurate first-principles treatment of doping-dependent electronic structure of high-temperature cuprate superconductors
A first-principles density-functional description of the electronic structures of the high-Tc cuprates has remained a long-standing problem since their discovery in 1986, with calculations failing to…
Local-density functional and on-site correlations: The electronic structure of La2CuO4 and LaCuO3.
TLDR
This work presents the method which delivers the correct insulating antiferromagnetic ground state in the correlated oxides preserving other properties as well as the efficiency of the standard LDA, and compares results with the standard local spin density approximation calculation and multiband Hubbard model calculations.
Real-space pairing through charge transfer excitons in high-TC cuprates.
TLDR
It is shown that mobile exciton-solvated doping holes should be associated in pairs either by a deep energy well or as thermodynamically stable pairs that can glide in the [100] or [010] direction after Bose condensation.
Mott gapping in 3dABO3 perovskites without Mott-Hubbard interelectronic repulsion energy U
The existence of band gaps in Mott insulators such as perovskite oxides with partially filled 3d shells has been traditionally explained in terms of strong, dynamic interelectronic repulsion codified…
Exciton dispersion in molecular solids
TLDR
The mixing between Frenkel and charge-transfer excitons and the origin of their Davydov splitting in the framework of many-body perturbation theory is discussed and a link with model approaches based on molecular states is established.
Origin of band gaps in 3d perovskite oxides
TLDR
It is shown that, if one allows symmetry-breaking energy-lowering crystal symmetry reductions and electronic instabilities within DFT, one successfully and systematically recovers the trends in the observed band gaps, magnetic moments, type of magnetic and crystallographic ground state, bond disproportionation and ligand hole effects, and the amplitude of structural deformation modes.
Exciton condensation in strongly correlated electron bilayers
We studied the possibility of exciton condensation in Mott insulating bilayers. In these strongly correlated systems, an exciton is the bound state of a double occupied and empty site. In the strong…
...
...