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

TL;DR

This neutron diffraction study clarifies the low-temperature structure of Pb(Zr0.52Ti0.48)O3, revealing coexistence of two monoclinic phases, and resolves conflicting previous findings about its phase composition.

Contribution

It provides detailed evidence supporting the coexistence of monoclinic phases in Pb(Zr0.52Ti0.48)O3, resolving previous controversies and confirming recent electron diffraction results.

Findings

Coexistence of monoclinic Cm and Ic phases at 20 K

Phase ratio approximately 4:1

Supports recent electron diffraction studies

Abstract

A neutron powder diffraction study has been carried out on Pb(Zr0.52Ti0.48)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 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)].