Low-temperature phases inPbZr0.52Ti0.48O3: A neutron powder diffraction study

Abstract

A neutron powder diffraction study has been carried out on $\mathrm{Pb}{\mathrm{Zr}}_{0.52}{\mathrm{Ti}}_{0.48}{\mathrm{O}}_{3}$ in order to resolve an ongoing controversy about the nature of the low-temperature structure of this strongly piezoelectric and technologically important material. The results of a detailed and systematic Rietveld analysis at $20\phantom{\rule{0.3em}{0ex}}\mathrm{K}$ are consistent with the coexistence of two monoclinic phases having space groups Cm and Ic, respectively, in the approximate ratio 4:1, and thus support the findings of a recent electron diffraction study by Noheda et al. [Phys. Rev. B 66, 060103 (2002)]. The results are compared to those of two recent conflicting neutron powder diffraction studies of materials of the same nominal composition by Hatch et al. [Phys. Rev. B 65, 212101 (2002)] and Frantti et al. [Phys. Rev. B 66, 064108 (2002)].