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Phase Transitions and Local Structure of PbZrO3

Published online by Cambridge University Press:  15 February 2011

S. Teslic  and
T. Egami
S. Teslic
Affiliation:
Department of Materials Science and Engineering, Laboratory for Research on the Structure of Matter, University of Pennsylvania, Philadelphia, PA 19104–6272
T. Egami
Affiliation:
Department of Materials Science and Engineering and Materials Research Laboratory, University of Illinois, Urbana, IL 61801
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Abstract

The local atomic structure of PbZrO3 (PZ) as a function of temperature has been examined using the atomic pair distribution function (PDF) analysis of the pulsed neutron powder-diffraction data. The local structure was found to be deviated significantly from the crystallographic average structure, and to vary less with the composition than the crystallographic average structure. Disordered oxygen octahedral rotations have been observed in the low-temperature antiferroelectric state. With heating the M-type rotation of octahedra becomes dominant and it persists through the intermediate phase into the high-temperature paraelectric state. The Pb displacements reflect these strong deviations, and locally have a large z-component. At room temperature, deviation of Pb displacements from the antiparallel [110] pattern was found. With increasing temperature disorder in the Pb displacement increases.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 437: Symposium DD – Applications of Synchrotron Radiation to III , 1996 , 169
Copyright
Copyright © Materials Research Society 1996

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