High-resolution x-ray diffraction study of single crystals of lead zirconate titanate

The symmetry of single-crystal piezoelectric PbZr${}_{1-x}$Ti${}_x$O${}_3$, with $x\approx 0.31$ and $x\approx 0.46$, has been investigated by high-resolution x-ray diffraction, both at room temperature and up to and above the Curie temperature. Reciprocal space maps around a selection of Bragg reflections were collected and self-consistent patterns showing Bragg splittings were observed. The analysis of the separation of peaks from different twin domains provides precise information on PbZr${}_{1-x}$Ti${}_x$O${}_3$ symmetry when approaching the morphotropic phase boundary at $x=0.48$ from the zirconium-rich side.

Figure 1

Room-temperature reciprocal space maps of four different $\{\mathit{hkl}\}{}_p$ reflections collected for PZT46 (a), (b), (c) and PZT31 (d), (e), (f). The white lines indicate simulated positions of $2\theta$ for rhombohedral ($R3m/R3c$, top lines), monoclinic ($\mathit{Cm}$, middle lines) or a combination of rhombohedral and monoclinic symmetries (bottom lines).

Figure 2

The results of high-temperature measurements, revealing the changes of the symmetry of PZT46 (a), (b), (c) and PZT31  (d), (e), (f). The distance between ticks on the $\omega$ axes are 0.5${}^{ˆ}$. The rectangle on (f) highlights the weak peak, which can be assigned to the adaptive phase diffraction phenomena. See the text for further explanation of the figures.