Mass enhancement and lone-pair-driven structural distortion in                    <math>                      <mrow>                        <mi>PbC</mi>                        <msub>                          <mi>u</mi>                          <mn>3</mn>                        </msub>                        <msub>                          <mi>V</mi>                          <mn>4</mn>                        </msub>                        <msub>                          <mi>O</mi>                          <mn>12</mn>                        </msub>                      </mrow>                    </math>

Ruifeng Tian; Jie Chen; Zhiyan Shao; Feng Wu; Jiayi Guan; Wei Wu; Wanli He; Yuanzhe Li; Yuemei Li; Jin-Ming Chen; Zhiwei Hu; Pengda Ye; Yuxiang Chen; Jiayi Han; Hua Zhang; Baoshan Song; Alexei A. Belik; Yanfeng Guo; Meiling Jin; Jiabin Qiao; Fan Yang; Xiang Li

doi:10.1103/kf19-sqzc

Journal article Mass enhancement and lone-pair-driven structural distortion in $PbC u_{3} V_{4} O_{12}$

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Ruifeng Tian, Jie Chen, Zhiyan Shao, Feng Wu, Jiayi Guan, Wei Wu, Wanli He, Yuanzhe Li, Yuemei Li, Jin-Ming Chen, Zhiwei Hu, Pengda Ye, Yuxiang Chen, Jiayi Han, Hua Zhang, Baoshan Song, Alexei A. Belik, Yanfeng Guo, Meiling Jin, Jiabin Qiao, Fan Yang, Xiang Li. Mass enhancement and lone-pair-driven structural distortion in

PbC u_{3} V_{4} O_{12}

. Physical Review Materials. 2026, 10 (5), 055003. https://doi.org/10.1103/kf19-sqzc

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(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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©2026 American Physical Society

Keyword: A-site-ordered perovskites, quadruple perovskites, high-pressure synthesis, crystal structures

Date published: 2026-05-26

Publisher: American Physical Society (APS)

Journal:

Physical Review Materials (ISSN: 24759953) vol. 10 issue. 5 055003

Funding:

National Key Research and Development Program of China 2023YFA1406002
National Key Research and Development Program of China 2020YFA0308801
National Natural Science Foundation of China 12174025
National Natural Science Foundation of China 12321004
National Natural Science Foundation of China 12204045
National Natural Science Foundation of China 12574141
National Natural Science Foundation of China 12234016
National Natural Science Foundation of China 12074031
Chinese Academy of Sciences SCZX-0101
Beijing Institute of Technology Research Fund Program for Young Scholars 2023CX01027
Beijing Institute of Technology
Japan Synchrotron Radiation Research Institute 2024B1825

Manuscript type: Author's version (Accepted manuscript)

MDR DOI: https://doi.org/10.48505/nims.6453

First published URL: https://doi.org/10.1103/kf19-sqzc

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Updated at: 2026-08-17 14:49:36 +0900

Published on MDR: 2026-08-17 16:29:49 +0900

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