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    Examining density wave correlations in high pressure La3Ni2O7 through variational Monte Carlo

    Yanxin Chen1, Haoxiang Chen1,*, Tonghuan Jiang1, and Ji Chen1,2,3,†

    • 1School of Physics, Peking University, Beijing 100871, People's Republic of China
    • 2Interdisciplinary Institute of Light-Element Quantum Materials and Research Center for Light-Element Advanced Materials, Peking University, Beijing 100871, People's Republic of China
    • 3State Key Laboratory of Artificial Microstructure and Mesoscopic Physics and Frontiers Science Center for Nano-Optoelectronics, Peking University, Beijing 100871, People's Republic of China

    • *Contact author: hxchen@pku.edu.cn
    • †Contact author: ji.chen@pku.edu.cn

    Phys. Rev. B 113, 125143 – Published 24 March, 2026

    DOI: https://doi.org/10.1103/vr3y-bpyr

    Abstract

    La3Ni2O7, a nickelate compound with a reported superconducting transition temperature of 80K, has attracted significant attention in recent years. Density-wave phenomena arising from strong electron correlations are widely regarded as key to unraveling the superconductivity mechanism, but the ordering and stability of these density waves remain a subject of contention in existing theoretical studies. In this work, we employ the variational Monte Carlo (VMC) method to thoroughly examine the nature of density waves as functions of Coulomb repulsion and exchange interactions in bilayer two-orbital models proposed for the high pressure phase of La3Ni2O7. We analyze the spin and charge correlation functions in a wide range of parameter space, and delineate a schematic phase diagram that separates different density-wave ground states. Our results provide useful insights into the understanding of electron correlations in La3Ni2O7, and highlight the potential of VMC to elucidate its superconducting mechanism.

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