Disorder of Pb atom in cubic structure of Pb(Zn1/3Nb 2/3)O3-PbTiO3 system

Yoshihiro Terado, Su Jae Kim, Chikako Moriyoshi, Yoshihiro Kuroiwa, Makoto Iwata, Masaki Takata

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22 Citations (Scopus)


The crystal structures of (1 - x)Pb(Zn1/3Nb2/3)O 3-xPbTiO3 (PZN-PT: 0 ≤ x ≤ 0.3) in the cubic phase at 650K have been investigated by analyzing the high-energy synchrotron-radiation (SR) powder diffraction data using the Rietveld method. It is found that the Pb atom does not settle at the ideal high-symmetry position with a harmonic thermal parameter. The split-atom method reveals that the Pb atom in the cubic phase is disordered and settles randomly at crystallographically equivalent positions slightly off-center of the cubic-corner site. The disordered directions of the Pb atom are significantly changed at the concentration x ∼ 0.15. This structural boundary found in the cubic phase is related to the appearance of the morphotropic phase boundary (MPB).

Original languageEnglish
Pages (from-to)7552-7555
Number of pages4
JournalJapanese Journal of Applied Physics
Issue number9 B
Publication statusPublished - 2006 Sept 22


  • Disorder of Pb atom
  • Morphotropic phase boundary
  • Perovskite
  • Powder diffraction
  • PZN-PT
  • Rietveld analysis
  • Synchrotron radiation
  • Tolerance factor


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