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The missing boundary in the phase diagram of PbZr(1-x)TixO₃
N Zhang1, H Yokota2, A M Glazer3
11] Department of Chemistry and 4D LABS, Simon Fraser University, 8888 University Drive, Burnaby, British Columbia, Canada V5A 1S6 [2] Electronic Materials Research Laboratory, Key Laboratory of the Ministry of Education &International Centre for Dielectric Research, Jiaotong University, Xi'an 710049, China.
Abstract:
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.
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