# Mass enhancement and lone-pair-driven structural distortion in PbC u 3 V 4 O 12 https://mdr.nims.go.jp/datasets/52c43d62-d2e3-4447-9644-c75e058fd58d ## File - [PCVO manuscript-author-update-100826.docx](https://mdr.nims.go.jp/filesets/021d6851-676d-4024-bd8c-52cce982e2db/download) ([Detail](https://mdr.nims.go.jp/filesets/021d6851-676d-4024-bd8c-52cce982e2db.md)) ## Id 52c43d62-d2e3-4447-9644-c75e058fd58d ## Local identifier ## Visibility open_to_public ## State published ## Created at 2026-08-10T01:48:50.189617Z ## Updated at 2026-08-17T05:49:36.251247Z ## Published at 2026-08-17T07:29:49.044100Z ## Doi https://doi.org/10.48505/nims.6453 ## First published url https://doi.org/10.1103/kf19-sqzc ## Date published 2026-05-26 ## Recorded date published 2026-5 ## Resource type journal_article ## Manuscript type accepted_manuscript ## Collection ## Title - title: Mass enhancement and lone-pair-driven structural distortion in PbC u 3 V 4 O 12 title_type: original lang: en ## Description - description: "\U0001D434-site-ordered perovskites (\U0001D434\U0001D434’3\U0001D4354O12) 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 \U0001D434-site-ordered perovskite PbCu3V4O12 under high-pressure and high-temperature conditions and perform comprehensive structural and physical characterizations. PbCu3V4O12 crystallizes in the cubic \U0001D43C\U0001D45A-3 structure, yet its structural parameters deviate markedly from the established ionic-radius trend in the \U0001D434Cu3V4O12 (\U0001D434=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 3\U0001D451-electron metallic vanadate with moderate electronic correlations, demonstrating how \U0001D434-site chemistry and lone-pair-induced local distortions can be used to engineer correlated electronic states in perovskite-related materials." description_type: abstract lang: und ## Creator - name: Ruifeng Tian role: author - name: Jie Chen role: author orcid: https://orcid.org/0000-0001-9609-669X organization: National Institute for Materials Science - name: Zhiyan Shao role: author - name: Feng Wu role: author - name: Jiayi Guan role: author - name: Wei Wu role: author - name: Wanli He role: author - name: Yuanzhe Li role: author - name: Yuemei Li role: author - name: Jin-Ming Chen role: author - name: Zhiwei Hu role: author - name: Pengda Ye role: author - name: Yuxiang Chen role: author - name: Jiayi Han role: author - name: Hua Zhang role: author - name: Baoshan Song role: author - name: Alexei A. Belik role: author orcid: https://orcid.org/0000-0001-9031-2355 organization: National Institute for Materials Science - name: Yanfeng Guo role: author - name: Meiling Jin role: author - name: Jiabin Qiao role: author - name: Fan Yang role: author - name: Xiang Li role: author ## Contact agent ## Publisher organization: American Physical Society (APS) ## Managing organization ## Keyword - subject: A-site-ordered perovskites schema: not_defined - subject: quadruple perovskites schema: not_defined - subject: high-pressure synthesis schema: not_defined - subject: crystal structures schema: not_defined ## Rights - description: "©2026 American Physical Society" identifier: http://rightsstatements.org/vocab/InC/1.0/ ## Other identifier(s) ## Data origin - data_origin_type: other ## Embargo ## Journal - title: Physical Review Materials issn: '24759953' volume: '10' issue: '5' article_number: '055003' ## Conference ## Related item ## Funding - identifier: 2023YFA1406002 funder_name: National Key Research and Development Program of China - identifier: 2020YFA0308801 funder_name: National Key Research and Development Program of China - identifier: '12174025' funder_name: National Natural Science Foundation of China - identifier: '12321004' funder_name: National Natural Science Foundation of China - identifier: '12204045' funder_name: National Natural Science Foundation of China - identifier: '12574141' funder_name: National Natural Science Foundation of China - identifier: '12234016' funder_name: National Natural Science Foundation of China - identifier: '12074031' funder_name: National Natural Science Foundation of China - identifier: SCZX-0101 funder_name: Chinese Academy of Sciences - identifier: 2023CX01027 funder_name: Beijing Institute of Technology Research Fund Program for Young Scholars - funder_name: Beijing Institute of Technology - identifier: 2024B1825 funder_name: Japan Synchrotron Radiation Research Institute ## Instrument ## Instrument operator ## Instrument managing organization ## Measurement method ## Specimen ## Chemical composition ## Structure for specimen ## Structural feature for specimen ## Specific property for specimen ## Process for specimen treatment ## Computational method ## Energy level/transition state ## Software ## Custom property ## Fileset - id: 021d6851-676d-4024-bd8c-52cce982e2db filename: PCVO manuscript-author-update-100826.docx content_type: application/vnd.openxmlformats-officedocument.wordprocessingml.document size: 2157853 md5: 3f20337c8113ae7497cc82851a896513 ## Thumbnail fileset_id: 021d6851-676d-4024-bd8c-52cce982e2db filename: PCVO manuscript-author-update-100826.docx