The missing boundary in the phase diagram of PbZr1−xTixO3

• DOI: 10.1038/ncomms6231
• Publication Date: 2014-10-24T10:45:46Z
• Authors: N. Zhang; H. Yokota; A. M. Glazer; Z. Ren; D. A. Keen; D. S. Keeble; P. A. Thomas; Z.-G. Ye
• Keywords: 02 engineering and technology; 0210 nano-technology

PbZr(1-x)Ti(x)O3 (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.