Antiferroelectricity-Induced Negative Thermal Expansion in Double Perovskite Pb2CoMoO6

Haoting Zhao, Zhao Pan, Xi Shen, Jianfa Zhao, Dabiao Lu, Jie Zhang, Zhiwei Hu, Chang Yang Kuo, Chien Te Chen, Ting Shan Chan, Christoph J. Sahle, Cheng Dong, Takumi Nishikubo, Takehiro Koike, Zun Yi Deng, Jiawang Hong, Runze Yu*, Pu Yu, Masaki Azuma, Changqing JinYouwen Long*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

1 Scopus citations


Materials with negative thermal expansion (NTE) attract significant research attention owing to their unique physical properties and promising applications. Although ferroelectric phase transitions leading to NTE are widely investigated, information on antiferroelectricity-induced NTE remains limited. In this study, single-crystal and polycrystalline Pb2CoMoO6 samples are prepared at high pressure and temperature conditions. The compound crystallizes into an antiferroelectric Pnma orthorhombic double perovskite structure at room temperature owing to the opposite displacements dominated by Pb2+ ions. With increasing temperature to 400 K, a structural phase transition to cubic Fm-3m paraelectric phase occurs, accompanied by a sharp volume contraction of 0.41%. This is the first report of an antiferroelectric-to-paraelectric transition-induced NTE in Pb2CoMoO6. Moreover, the compound also exhibits remarkable NTE with an average volumetric coefficient of thermal expansion αV = −1.33 × 10−5 K−1 in a wide temperature range of 30–420 K. The as-prepared Pb2CoMoO6 thus serves as a prototype material system for studying antiferroelectricity-induced NTE.

Original languageEnglish
StateAccepted/In press - 2023


  • antiferroelectricity
  • double perovskites
  • high-pressure synthesis
  • negative thermal expansion


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