New PbTiO3-type giant tetragonal compound Bi2ZnVO6 and its stability under pressure

Runze Yu, Hajime Hojo, Kengo Oka, Tetsu Watanuki, Akihiko Machida, Keisuke Shimizu, Kiho Nakano, Masaki Azuma

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27 Citations (Scopus)


A new PbTiO3-type compound, Bi2ZnVO6, with a giant tetragonal distortion of c/a = 1.26 (a = 3.7869(3) Å, c = 4.7660(7) Å) was synthesized under high pressure-high temperature conditions (9 GPa and 1373 K). A point charge model calculation based on the atomic positions refined by Rietveld analysis of synchrotron X-ray diffraction (SXRD) data gave an electrical ionic polarization of 126 μC/cm2, the largest value among PbTiO3-type perovskite compounds. The tetragonality (c/a) decreased with increasing temperature from 100 to 570 K without any trace of a phase transition. Instead, a pressure-induced transition from a polar tetragonal structure to a paraelectric GdFeO3 one accompanied by a 2.4% volume collapse was observed at 6.01 GPa. Bi2ZnVO6 showed paramagnetic behavior with S = 1/2 because of the random distribution of nonmagnetic Zn2+ and magnetic V4+ ions. Transport measurements indicated semiconductivity with an activation energy of 0.43 eV.

Original languageEnglish
Pages (from-to)2012-2017
Number of pages6
JournalChemistry of Materials
Issue number6
Publication statusPublished - Mar 24 2015
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Chemical Engineering(all)
  • Materials Chemistry


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