A monoclinic ferroelectric phase in the Pb(Zr1−xTix)O3 solid solution

Abstract

A previously unreported ferroelectric phase has been discovered in a highly homogeneous sample of PbZr0.52Ti0.48O3 by high-resolution synchrotron x-ray powder diffraction measurements. At ambient temperature the sample has tetragonal symmetry (at=4.037 Å, ct=4.138 Å), and transforms below ∼250 K into a phase which, unexpectedly, has monoclinic symmetry (am=5.717 Å, bm=5.703 Å, cm=4.143 Å, β=90.53°, at 20 K). The intensity data strongly indicate that the polar axis lies in the monoclinic ac plane close to the pseudocubic [111] direction, which would be an example of the species m3m(12)A2Fm predicted on symmetry grounds by Shuvalov.

Electronic structure, ferroelectric properties, and phase stability of BiGaO3 under high pressure from first principles

“…Our data show that around 5 GPa there is a possibility of coexistence of three polar phases, i.e., monoclinic Cm, tetragonal P4mm, and rhombohedral R3c. This situation could be similar to the one in PbZr 1-x Ti x O 3 [30,31]. The calculated structural parameters of these phases at the transition pressures are given in Table 2.…”

“…Another source of difference between experiment and theory could arise from the difficulties in measurements i.e., nonhydrostatic conditions, quality of samples, etc. For example, the high-pressure phase diagram of BiFeO 3 or PbZr 1-x Ti x O 3 is still unclear despite numerous experimental and theoretical studies [30][31][32][33]. In case of BiGaO 3 , there is only one experimental report so far [10].…”

Dynamic origin of the morphotropic phase boundary: Soft modes and phase instability in0.68Pb(Mg1/3Nb2/3Cao1, Stock2, Xu3 et al. 2008Phys. Rev. B262150View full textAdd to dashboardCite

“…1 Historically, the excellent electromechanical properties of the closely related Pb͑Zr 1−x Ti x ͒O 3 ͑PZT͒ ceramics were attributed to the steep morphotropic phase boundary ͑MPB͒ that separates Ti-poor rhombohedral ͑R͒ and Ti-rich tetragonal ͑T͒ ferroelectric phases as a function of the Ti content x. 2 In 1997 Park and Shrout 3 conjectured that the ultrahigh strains they achieved in ͗001͘-oriented crystals of PMN-xPT and PZN-xPT, which exhibit similar MPBs, resulted from an R → T transition induced by an applied electric field E. However various intermediate monoclinic phases ͑M C , M A , and M B ͒, which provide a natural bridge connecting the R and T phases, have subsequently been reported near the MPB in both PZT ceramics [4][5][6] and in single crystals of PZN-xPT ͑Refs. 7-11͒ and PMN-xPT.…”

Piezoelectric enhancement of(PbTiO3)m/(BaTiO3)nferroelectric superlattices through domai

“…One well-known example is the generation of large piezoelectric responses in the vicinity of the morphotropic phase boundary (MPB) in ferroelectric solid solutions, i.e., Pb(Mg 1/3 Nb 2/3 )O 3 -PbTiO 3 (PMN-PT) [2] and PbZrO 3 -PbTiO 3 (PZT) [3], through an easy polarization rotation via an intermediate monoclinic phase [4][5][6].…”