Low-temperature phases in Pb Zr0.52 Ti0.48 O3: A neutron powder diffraction study

Abstract

A neutron powder diffraction study has been carried out on Pb Zr0.52 Ti0.48 O3 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 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 [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 [Phys. Rev. B 65, 212101 (2002)] and Frantti [Phys. Rev. B 66, 064108 (2002)]. © 2005 The American Physical Society.