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Local-scale structures across the morphotropic phase boundary in PbZr1-xTixO3

Abstract:
Lead zirconate-titanate (PZT) is one of the most widely discussed piezoelectric materials, mainly because of its "mysterious" relationship between the so-called Morphotropic Phase Boundary (MPB) and its strong piezoelectric coupling factor. Here we discuss, using results from a Pair Distribution Function analysis, how the complex local structure in PZT affects the long-range average structure across the MPB. A monoclinic MC type structure is discovered in PZT. A first-order transformation between the monoclinic MA and MC components in both the average and local structures explains the sudden change in piezoelectric effect around these compositions. The role of polarization rotation in the enhancement of the piezoelectric properties is discussed with respect to the composition of PZT. The structure-property relationship that is revealed by this study explains the unique property of PZT, and may be applicable in the design of new MPB-type functional materials.
Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1107/S2052252517016633

Authors


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Institution:
University of Oxford
Division:
MPLS
Department:
Physics
Sub department:
Condensed Matter Physics
Oxford college:
Jesus College
Role:
Author


More from this funder
Grant:
Grant-in-Aid for Young Scientists (B) (grant No. 15K1764 to Hiroko Yokota
More from this funder
Grant:
grant No. N00014-12-1-1045 to Zuo-Guang Ye
grant No. N00014-16-1-3106 to Zuo-Guang Ye


Publisher:
International Union of Crystallography
Journal:
IUCrJ More from this journal
Volume:
5
Issue:
1
Publication date:
2017-12-15
Acceptance date:
2017-11-27
DOI:
ISSN:
2052-2525


Keywords:
Pubs id:
pubs:801759
UUID:
uuid:6f9a2097-256a-49b2-87bd-1f2cd7163233
Local pid:
pubs:801759
Source identifiers:
801759
Deposit date:
2017-11-30

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