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    Mass enhancement and lone-pair-driven structural distortion in PbCu3V4O12

    Ruifeng Tian1,2, Jie Chen1,2,*, Zhiyan Shao1,†, Feng Wu1,2,3, Jiayi Guan1,2,4, Wei Wu3, Wanli He1,2, Yuanzhe Li1,2, Yuemei Li1,2 et al.

    Jin-Ming Chen5, Zhiwei Hu6, Pengda Ye1,2,7, Yuxiang Chen1,2, Jiayi Han1,2, Hua Zhang3, Baoshan Song1,2, Alexei A. Belik8, Yanfeng Guo9, Meiling Jin1,2,‡, Jiabin Qiao1,2,§, Fan Yang1, and Xiang Li1,2,∥

    • *Contact author: jiechen.phy@bit.edu.cn
    • †Contact author: 3120225763@bit.edu.cn
    • ‡Contact author: jinml@bit.edu.cn
    • §Contact author: jiabinqiao@bit.edu.cn
    • ∥Contact author: xiangli@bit.edu.cn

    Phys. Rev. Materials 10, 055003 – Published 26 May, 2026

    DOI: https://doi.org/10.1103/kf19-sqzc

    Abstract

    A-site-ordered perovskites (AA′3B4O12) provide a structurally robust platform for exploring correlated-electron behavior, offering unusual opportunities to disentangle the roles of orbital degrees of freedom, bonding interactions, and local structural distortions. In this work, we synthesize a new A-site-ordered perovskite PbCu3V4O12 under high-pressure and high-temperature conditions and perform comprehensive structural and physical characterizations. PbCu3V4O12 crystallizes in the cubic Im-3 structure, yet its structural parameters deviate markedly from the established ionic-radius trend in the ACu3V4O12 (A=Mn, Cu, Ca) series. This deviation reveals local structural modifications driven by the Pb2+ lone-pair electrons. The compound exhibits metallic behavior down to at least 8 K and shows a moderately enhanced Sommerfeld coefficient, with density-functional calculations confirming the associated mass enhancement. Comparison of the experimental and theoretical magnetic susceptibilities further indicates an additional contribution from the Stoner mechanism. These results identify PbCu3V4O12 as a rare example of a 3d-electron metallic vanadate with moderate electronic correlations, demonstrating how A-site chemistry and lone-pair-induced local distortions can be used to engineer correlated electronic states in perovskite-related materials.

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