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

  • 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*
*Corresponding author for this work
  • Beijing Institute of Technology
  • CAS - Institute of Physics
  • Center for High Pressure Science & Technology Advanced Research
  • National Yang Ming Chiao Tung University
  • Max Planck Institute for Chemical Physics of Solids
  • Beijing Institute of Technology
  • National Institute for Materials Science Tsukuba
  • ShanghaiTech University

Research output: Contribution to journalArticlepeer-review

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.

Original languageEnglish
Article number055003
JournalPhysical Review Materials
Volume10
Issue number5
DOIs
Publication statusPublished - 1 May 2026
Externally publishedYes

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