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    Correlation-driven metallic phase revealed by an extended two-orbital coherent potential approximation

    Xiu-Cai Jiang1, Jin-Rong Xu2, and Yu-Zhong Zhang1,*

    • 1School of Physics Science and Engineering, Tongji University, Shanghai 200092, People's Republic of China
    • 2Key Laboratory of Advanced Electronic Materials and Devices, School of Physics and Mathematics, Anhui Jianzhu University, Hefei 230601, People's Republic of China

    • *Contact author: yzzhang@tongji.edu.cn

    Phys. Rev. B 114, 045108 – Published 7 July, 2026

    DOI: https://doi.org/10.1103/qgxn-zv6l

    Abstract

    The extension of single-site coherent potential approximation (CPA) to multiorbital Hubbard models with full Hund's coupling has remained challenging due to the difficulty of constructing an appropriate alloy-analogy model. Here, we decompose the exact Green's functions of the atomic-limit two-orbital Hubbard model with full Hund's coupling into pole expansions, enabling the construction of the alloy-analogy model and thus facilitating the development of an extended two-orbital CPA that incorporates spin-flip and pair-hopping terms beyond previous treatments. Applying this method to the two-orbital Hubbard model on square lattice, we reveal a metallic phase stabilized around U′=U/2, which is absent in earlier studies, and identify a rapid growth in the on-site interorbital doublon-holon correlation for U′>U/2. This phase and the evolution of the doublon-holon state are elucidated through the exact atomic-limit Green's function solution. The effect of distinct Hund's coupling components is also examined.

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