A neutron diffuse scattering study of PbZrO3 and Zr-rich PbZr1-xTixO3

Nan Zhang, Marek Pasciak, A. M. Glazer*, Jirka Hlinka, Matthias Gutmann, Hazel A. Sparkes, T. R. Welberry, Andrzej Majchrowski, K. Roleder, Yujuan Xie, Zuo Guang Ye

*Corresponding author for this work

Research output: Contribution to journalArticle (Academic Journal)peer-review

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Abstract

A combined neutron diffuse scattering study and model analysis of the antiferroelectric crystal PbZrO3 is described. Following on from earlier X-ray diffuse scattering studies, supporting evidence for disordering of oxygen octahedral tilts and Pb displacements is shown in the higherature cubic phase. Excess diffuse scattering intensity is found at the M and R points in the Brillouin zone. A shell-model molecular dynamics simulation closely reproduces the neutron diffuse scattering pattern. Both in-phase and antiphase tilts are found in the structural model, with in-phase tilts predominating. The transition between disordered and ordered structure is discussed and compared with that seen in Zr-rich PbZr1-xTixO3.

Original languageEnglish
Pages (from-to)1637-1644
Number of pages8
JournalJournal of Applied Crystallography
Volume48
Issue number6
DOIs
Publication statusPublished - 1 Dec 2015

Keywords

  • diffuse scattering
  • disorder
  • lead zirconate titanate
  • Neutron diffraction
  • short-range order

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