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    Variational quantum Monte Carlo investigations of the superconducting pairing in La3Ni2O7

    Yi-Qun Liu1, Da Wang1,2,*, and Qiang-Hua Wang1,2,†

    • *Contact author: dawang@nju.edu.cn
    • †Contact author: qhwang@nju.edu.cn

    Phys. Rev. B 112, 014511 – Published 15 July, 2025

    DOI: https://doi.org/10.1103/c8cd-17tv

    Abstract

    We investigate the pairing symmetry in the novel superconductor La3Ni2O7 under pressure by the nonperturbative variational quantum Monte Carlo. Within the bilayer Hubbard model and extended t−J model with two orbitals in the Eg doublet, we find the local strong correlation triggers s±-wave Cooper pairing, with sign change of the gap function among the various Fermi pockets, while the dx2−y2-wave pairing is generically disfavored. This is in agreement with the results from functional renormalization group applied in the weak up to moderate correlation limit. We find the 3d3z2−r2 orbital plays a leading role in the superconducting pairing. We also demonstrate the finite intraorbital double occupancy even in the strong correlation limit, shedding light on the itinerant versus local moment picture of the electrons in this material.

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