The missing boundary in the phase diagram of PbZr1−xTixO3

• Published in: Nature communications Vol. 5; no. 1; p. 5231
• Main Authors: Zhang, N., Yokota, H., Glazer, A. M., Ren, Z., Keen, D. A., Keeble, D. S., Thomas, P. A., Ye, Z.-G.
• Format: Journal Article
• Language: English
• Published: London Nature Publishing Group UK 24-10-2014; Nature Publishing Group
• Subjects: 119/118; 639/301/119; 639/766/119/995; Humanities and Social Sciences; multidisciplinary; Science; Science (multidisciplinary)
• ISSN: 2041-1723; 2041-1723
• DOI: 10.1038/ncomms6231

PbZr
1−x
Ti
x
O
3
(PZT) is one of the most important and widely used piezoelectric materials. The study of its local and average structures is of fundamental importance in understanding the origin of its high-performance piezoelectricity. Pair distribution function analysis and Rietveld refinement have been carried out to study both the short- and long-range order in the Zr-rich rhombohedral region of the PZT phase diagram. The nature of the monoclinic phase across the Zr-rich and morphotropic phase boundary area of PZT is clarified. Evidence is found that long-range average rhombohedral and both long- and short-range monoclinic regions coexist at all compositions. In addition, a boundary between a monoclinic (M
A
) structure and another monoclinic (M
B
) structure has been found. The general advantage of a particular monoclinic distortion (M
A
) for high piezoactivity is discussed from a spatial structural model of susceptibility to stress and electric field, which is applicable across the wide field of perovskite materials science.
PbZr
1−x
Ti
x
O
3
is a widely used piezoelectric material. Here, the authors clarify the long-standing issue of the monoclinic crystal phase evolution across the morphotropic phase boundary in the compound’s phase diagram, contributing also to the understanding of its piezoelectric properties.