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Neutron powder diffraction refinement of PbZr(1 - x)Ti(x)O3
N Zhang1, H Yokota, A M Glazer
1Clarendon Laboratory, Department of Physics, University of Oxford, England.
Acta Crystallographica. Section B, Structural Science
|September 21, 2011
Summary
Neutron diffraction analysis of lead zirconate titanate (PbZr(1-x)Ti(x)O3) powders reveals multiple phases are necessary for accurate structural modeling. This finding leads to a revised phase diagram for PZT materials.
Area of Science:
- Materials Science
- Solid-State Chemistry
- Crystallography
Background:
- Lead zirconate titanate (PbZr(1-x)Ti(x)O3) is a key material in piezoelectric applications.
- Understanding its phase behavior is crucial for optimizing material properties.
Purpose of the Study:
- To refine structural models of PZT using neutron diffraction.
- To investigate the phase composition across various PZT compositions and temperatures.
- To propose an updated phase diagram for PZT.
Main Methods:
- Rietveld refinement of neutron diffraction data.
- Analysis of PZT powder samples with varying Zr/Ti ratios.
- Variable temperature measurements.
Main Results:
- Structural models consistently required contributions from multiple phases to accurately fit the diffraction data.
- This multi-phase behavior was observed across all studied compositions and temperatures.
- The experimental findings necessitated a revision of the existing PZT phase diagram.
Conclusions:
- The PZT system exhibits complex multi-phase behavior under the studied conditions.
- A new, more accurate phase diagram for PZT is proposed based on these findings.
- Accurate structural characterization of PZT requires consideration of multiple coexisting phases.
