Direct Observation of Covalency between O and Disordered Pb in Cubic PbZrO3

Shinobu Aoyagi, Yoshihiro Kuroiwa, Akikatsu Sawada, Hiroshi Tanaka, Jimpei Harada, Eiji Nishibori, Masaki Takata, Makoto Sakata

Research output: Contribution to journalArticle

52 Citations (Scopus)

Abstract

In cubic PbZrO3, which undergoes an antiferroelectric phase transition, the distinct disorder of Pb at twelve sites toward the neighboring O is detected for the first time by analyzing high-energy X-ray powder diffraction data. In the charge density distributions, the covalent nature of the Pb-O bond is also revealed, which proves the existence of electron hybridization between O and disordered Pb in cubic PbZrO3. None of these structural characteristics of PbZrO3 were found in the previously studied cubic PbTiO3 structure [Y. Kuroiwa et al.: Phys. Rev. Lett. 87 (2001) 217601], which undergoes a ferroelectric phase transition. This may be a clue to understanding why PbTiO3 and PbZrO3 respectively show ferroelectric and antiferroelectric phase transitions.

Original languageEnglish
Pages (from-to)2353-2356
Number of pages4
Journaljournal of the physical society of japan
Volume71
Issue number10
DOIs
Publication statusPublished - 2002 Oct 1
Externally publishedYes

Keywords

  • Antiferroelectric phase transition
  • Charge density distribution
  • Order-disorder phase transition
  • PbZrO
  • Perovskite structure
  • Synchrotron radiation
  • X-ray diffraction

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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    Aoyagi, S., Kuroiwa, Y., Sawada, A., Tanaka, H., Harada, J., Nishibori, E., Takata, M., & Sakata, M. (2002). Direct Observation of Covalency between O and Disordered Pb in Cubic PbZrO3. journal of the physical society of japan, 71(10), 2353-2356. https://doi.org/10.1143/JPSJ.71.2353