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A multi-nuclear NMR study of the local structure of lead zirconate titanate, PbZr1-chi Ti chi O3

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Abstract

Samples of lead zirconium titanate, PbZr1-xTixO3 (PZT), having x = 0, 0.25, 0.48, 0.55, 0.75 and 1, were studied by O-17,Pb-207 and Ti-47,Ti-49 solid-state NMR. All oxygen sites are clearly resolved for the end-member compositions and are assigned on the basis of line intensity and the correlation of the oxygen shift with increasing Zr/Ti-O bond length. The two distinct 0 sites characteristic of the end member PbTiO3 (X = 1) behave differently as x is decreased, indicating that Ti-O-Ti chains in the (001) plane are preserved down to x = 0.25. By contrast, the Ti-O-Ti signal in the [001] direction is absent at x <= 0.75, which demonstrates there is an important anisotropy in the local structure of PZT solid solutions. A sharp line consistent with a new well ordered oxygen environment appears at the morphotropic boundary (MPB) composition, x = 0.48, and is suggested to be a feature of the monoclinic phase. Although a small amount of lead is in a relatively ordered environment, there is considerable Pb disorder throughout the composition range. The 207 Pb shift dispersion implies a Pb-O distance variation of similar to 0.02 angstrom for x = 0.10, and still larger for other compositions. The intrinsic width of the 47,49Ti lines is found to remain constant for x values between 0 and 0.50, which indicates that the electric field gradient and the octahedral distortion observed in the PbTiO3 end-member is little changed even in the presence of considerable Zr doping. These observations are discussed in the context of present models for the development of the average and local structures of PZT solid solutions throughout the phase diagram and across the MPB

Topics: QC
Publisher: IOP PUBLISHING LTD
OAI identifier: oai:wrap.warwick.ac.uk:34263
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