Phase transitions and local structure of PbZrO{sub 3}
- Univ. of Pennsylvania, Philadelphia, PA (United States)
- Univ. of Illinois, Urbana, IL (United States)
The local atomic structure of PbZrO{sub 3} (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 octahedral 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 displacement from the antiparallel [110] pattern was found. With increasing temperature disorder in the Pb displacement increases.
- Research Organization:
- Argonne National Laboratory (ANL), Argonne, IL
- Sponsoring Organization:
- Office of Naval Research, Washington, DC (United States); USDOE, Washington, DC (United States)
- DOE Contract Number:
- W-31109-ENG-38
- OSTI ID:
- 474602
- Report Number(s):
- CONF-960401--; ISBN 1-55899-340-1
- Country of Publication:
- United States
- Language:
- English
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