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    Variational Monte Carlo study on the bilayer t−J∥−J⊥ model for La3Ni2O7

    Zeyu Chen1, Yu-Bo Liu2,*, and Fan Yang1,†

    • *Contact author: yuboliu@itp.ac.cn
    • †Contact author: yangfan_blg@bit.edu.cn

    Phys. Rev. B 113, 174521 – Published 18 May, 2026

    DOI: https://doi.org/10.1103/x95b-9hnm

    Abstract

    The discovery of high-temperature superconductivity (HTSC) in La3Ni2O7 has aroused significant interest in exploring the pairing mechanism. Previous studies have proposed an effective dx2−y2-orbital bilayer t−J∥−J⊥ model, in which the electrons of the dx2−y2 orbital are charge carriers, which are subject to the intralayer antiferromagnetic (AFM) superexchange J∥ and the large interlayer AFM superexchange J⊥ typically stronger than J∥, with J⊥ transferred from the nearly half filled, and hence localized, dz2 orbital through the strong Hund's rule coupling. Here we study this model by the variational Monte Carlo (VMC) simulation and find a dominant interlayer s-wave pairing, in which the SC order parameters have a drastic improvement compared with those of the mean-field (MF)-type theories. In real materials, the Hund's coupling is finite, leading to reduced J⊥, dictating that the MF-type theories have difficulty explaining the HTSC. However, our VMC calculations find that even for effective J⊥ as weak as J⊥=J∥, the interlayer pairing is still considerably large and can be compared with the Tc observed in experiments, which is very weak in MF-type theories. This result indicates the important role of the Gutzwiller projection in improving the Tc, which is ignored in the MF-type theories. In addition, our results show that suppressed interlayer hopping can promote interlayer pairing, which is consistent with the fact that the interlayer hopping of the dx2−y2 orbital in La3Ni2O7 is very weak. Our research offers a perspective for understanding the pairing mechanism of bilayer nickelates and provides a reference for recent ultracold-atom experiments in mixed-dimensional systems.

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