condensed matter physics

Electronically Inactive Intercalated La $_{2}$ NiO $_{4}$ Layer in Superconducting La $_{5}$ Ni $_{3}$ O $_{11}$

arXiv:2607.26676

summary

The authors use density functional theory, Wannier tight‑binding, and slave‑boson calculations to show that the intercalated La₂NiO₄ layer in superconducting La₅Ni₃O₁₁ is insulating and does not contribute electronic states at the Fermi level, so the low‑energy physics is dominated by the La₃Ni₂O₇ blocks.

Abstract

The recent discovery of superconductivity in La $_{5}$ Ni $_{3}$ O $_{11}$ extends the family of superconducting Ruddlesden--Popper nickelates beyond La $_{3}$ Ni $_{2}$ O $_{7}$ . Unlike conventional members of a single Ruddlesden--Popper series, La $_{5}$ Ni $_{3}$ O $_{11}$ contains an intercalated La $_{2}$ NiO $_{4}$ layer between La $_{3}$ Ni $_{2}$ O $_{7}$ blocks, raising the question of whether this additional layer participates in the low-energy electronic structure. Here, we combine density functional theory, Wannier-based tight-binding modeling, and rotationally invariant slave-boson calculations to investigate the electronic role of the intercalated layer. We find that realistic electronic parameters place the La $_{2}$ NiO $_{4}$ layer in gapped insulating regimes rather than a paramagnetic metallic state. Furthermore, realistic interlayer hybridization fails to generate any appreciable La $_{2}$ NiO $_{4}$ -derived spectral weight at the Fermi level. Our results demonstrate that the low-energy electronic structure of La $_{5}$ Ni $_{3}$ O $_{11}$ is governed primarily by the La $_{3}$ Ni $_{2}$ O $_{7}$ block, with the intercalated La $_{2}$ NiO $_{4}$ layer remaining electronically inactive. This establishes a minimal low-energy description of La $_{5}$ Ni $_{3}$ O $_{11}$ and provides a unified framework for understanding superconductivity in intercalated Ruddlesden--Popper nickelates.

11 pages, 7 figures

Topics & keywords

#nickelates #ruddlesden-popper #superconductivity #electronic structure #density functional theoryLa5Ni3O11La2NiO4 layerDFTrotationally invariant slave-bosontight-binding modelinterlayer hybridization

Electronically Inactive Intercalated La2​NiO4​ Layer in Superconducting La5​Ni3​O11​

Abstract

Topics & keywords

Electronically Inactive Intercalated La $_{2}$ NiO $_{4}$ Layer in Superconducting La $_{5}$ Ni $_{3}$ O $_{11}$