Export citation

Export citation

Choose format for download:

Download Citation

    Band structure and pairing nature of La3Ni2O7 thin film at ambient pressure

    Zhi-Yan Shao1,*, Yu-Bo Liu2,*, Min Liu3,†, and Fan Yang1,‡

    • *These two authors contributed equally to this work.
    • †Contact author: minliu@buct.edu.cn
    • ‡Contact author: yangfan_blg@bit.edu.cn

    Phys. Rev. B 112, 024506 – Published 11 July, 2025

    DOI: https://doi.org/10.1103/9t6n-jqr5

    Abstract

    Recently, evidence of superconductivity (SC) with onset Tc above the McMillan limit has been detected in the La3Ni2O7 ultrathin film grown on the LaSrAlO4 substrate at ambient pressure. This progress opens another era in the field of the nickelate superconductors. Here we perform a density-functional-theory (DFT) based calculation for the band structure of this material. The obtained DFT+U band structure has the feature that the bonding dz2 band crosses the Fermi level, forming the hole pocket γ, consistent with the angle-resolved photoemission spectrum (ARPES). Taking the low-energy Ni-(3dz2,3dx2−y2) orbitals placed on the tetragonal lattice structure, we construct a 2D bilayer four-band tight-binding model which well captures the main features of the DFT+U band structure. Then considering the multiorbital Hubbard interaction, we adopt the random-phase approximation (RPA) approach to investigate the pairing nature. The obtained pairing symmetry is s± or dxy for the hole-doping level δ below or above 0.12, induced by the different Fermi surface nesting situations. For the realistic δ=0.21 measured by the ARPES, our RPA calculations obtain the next-nearest-neighbor pairing dxy-wave SC dominated by the dz2 orbital, consistent with the experimental observation that the Tc enhances with the shrinking of the in-plane lattice constants. This pairing state is induced by the nesting between the different patches within the γ pocket. Our results are appeal for experimental verifications.

    Physics Subject Headings (PhySH)

    Authorization Required

    We need you to provide your credentials before accessing this content.

    References (Subscription Required)

    Outline

    Information

    Sign In to Your Journals Account

    Filter

    Filter

    Article Lookup

    Enter a citation