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Local structure of Pb(Zr 0.53 Ti 0.47 )O 3
Author(s) -
BabaKishi K. Z.,
Glazer A. M.
Publication year - 2014
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s1600576714019086
Subject(s) - monoclinic crystal system , materials science , crystallography , streaking , phase (matter) , mineralogy , crystal structure , geometry , chemistry , optics , physics , mathematics , organic chemistry
High‐angle annular dark‐field (HAADF) and annular bright‐field (ABF) images recorded from the Pb(Zr x Ti 1− x )O 3 morphotropic phase boundary (PZT mpb ) show B ‐site displacements along the 〈110〉 directions and prominent distortions in the oxygen cages surrounding both the B sites and the Pb environments. The measured range of B ‐site displacements is about 0.25–0.4 Å. Oxygen cage distortions appear to be variable in shape and dimensions at the unit‐cell level. Comparison of the observed displacements with the structural projections based on the established monoclinic space group Cm ( C s 3 ) shows a good overall agreement. A qualitative match between Cm ( C s 3 ) and the reported observations is inconclusive because of inaccuracy in the measurements, originating from imprecise identification of atomic column centres inherent in the HAADF and ABF images. In most of the observed cases, B ‐site displacements in HAADF images, and oxygen cage distortions in ABF images, appear pronounced compared with the structural projections in Cm ( C s 3 ). Columnar chemical inhomogeneity has been commonly observed in both B ‐site and Pb columns in PZT mpb . Weak 〈110〉 diffuse streaking along the [001], [110] and [111] zone axes has been imaged, suggestive of correlation with the systematic ion disorder along 〈110〉.