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A first-principles-derived approach is used to study structural, piezoelectric and dielectric properties of Pb(Zr_{1-x}Ti_{x})O_{3} (PZT) solid solutions near the morphotropic phase boundary at low temperature. Three ferroelectric phases…

Materials Science · Physics 2007-05-23 L. Bellaiche , A. Garcia , David Vanderbilt

High resolution x-ray powder diffraction measurements on poled PbZr(1-x)TixO3 (PZT) ceramic samples close to the rhombohedral-tetragonal phase boundary (the so-called morphotropic phase boundary, MPB) have shown that for both rhombohedral…

Materials Science · Physics 2009-10-31 R. Guo , L. E. Cross , S-E. Park , B. Noheda , D. E. Cox , G. Shirane

Temperature dependent structural changes in a nearly pure monoclinic phase composition (x=0.525) of Pb(Zr_xTi_1-x)O_3 (PZT) have been investigated using Rietveld analysis of high-resolution synchrotron powder x-ray diffraction data and…

A first-principles-derived approach is developed to study finite-temperature properties of PbZr{1-x}Ti{x}O3 (PZT) solid solutions near the morphotropic phase boundary (MPB). Structural and piezoelectric predictions are in excellent…

Materials Science · Physics 2009-10-31 L. Bellaiche , A. Garcia , David Vanderbilt

Recent structural studies of ferroelectric PbZr(1-x)TixO3 (PZT) with x= 0.48, have revealed a new monoclinic phase in the vicinity of the morphotropic phase boundary (MPB), previously regarded as the the boundary separating the rhombohedral…

Materials Science · Physics 2019-08-17 B. Noheda , D. E. Cox , G. Shirane , R. Guo , B. Jones , L. E. Cross

Results presented in this article demonstrate importance of taking into account such a phenomenon as the solid solution decomposition at the boundaries separating coexisting phases in lead-zirconate-titanate-based solid solutions with…

Materials Science · Physics 2016-10-21 V. M. Ishchuk , D. V. Kuzenko , V. L. Sobolev

Lead zirconate titanate (PbZr1-xTixO3, PZT) exhibits excellent piezoelectric properties in the morphotropic phase boundary (MPB) region of its temperature-composition phase diagram. However, the microscopic origin of its high piezoelectric…

Materials Science · Physics 2023-12-22 Yubai Shi , Ri He , Bingwen Zhang , Zhicheng Zhong

The solid solution $0.5Ba(Ti_{0.8}Zr_{0.2})O_3$-$0.5(Ba_{0.7}Ca_{0.3})TiO_3$ (BCZT) has become a promising member of the lead-free piezoelectric materials because of its exceptionally high piezoelectric properties. In this study, we focus…

In this work, we address the issue of peaking of piezoelectric response at a particular composition in the morphotropic phase boundary (MPB) region of (Pb0.940Sr0.06)(ZrxTi1-x)O3 (PSZT) piezoelectric ceramics. We present results of…

Piezoelectric PZT solid solutions were studied as a function of pressure and temperature. Moderate pressure is found to induce phase transitions to monoclinic phases (Cm,Cc) for Ti-rich PZT, which are the same ferroelectric phases…

Materials Science · Physics 2009-05-14 Jérôme Rouquette , Julien Haines , Véronique Bornand , Philippe Papet

Recently a new monoclinic phase in the PbZr(1-x)TixO3 ceramic system has been reported by Noheda et al. for the composition x= 0.48. In the present work, samples with Ti contents of x= 0.47 and 0.50, which are both tetragonal below their…

Materials Science · Physics 2007-05-23 B. Noheda , J. A. Gonzalo , A. Caballero , C. Moure , D. E. Cox , G. Shirane

A summary of the work recently carried out on the morphotropic phase boundary (MPB) of PZT is presented. By means of x-ray powder diffraction on ceramic samples of excellent quality, the MPB has been successfully characterized by changing…

Materials Science · Physics 2009-10-31 B. Noheda , J. A. Gonzalo , R. Guo , S. -E. Park , L. E. Cross , D. E. Cox , G. Shirane

Theoretical {\em ab initio} and experimental methods were used to investigate the $x$Bi(Zn,Ti)O$_3$-(1-$x$)PbTiO$_3$ (BZT-PT) solid solution. We find that hybridization between Zn 4$p$ and O 2$p$ orbitals allows the formation of short,…

Strong piezoelectricity in the perovskite-type PbZr(1-x)TixO3 (PZT) and Pb(Zn1/3Nb2/3)O3-PbTiO3 (PZN-PT) systems is generally associated with the existence of a morphotropic phase boundary (MPB) separating regions with rhombohedral and…

Materials Science · Physics 2009-11-07 D. E. Cox , B. Noheda , G. Shirane , Y. Uesu , K. Fujishiro , Y. Yamada

In piezoelectric ceramics the changes in the phase stabilities versus stress and temperature in the vicinity of the phase boundary play a central role. The present study was dedicated to the classical piezoelectric, lead-zirconate-titanate…

Materials Science · Physics 2015-06-04 J. Frantti , Y. Fujioka , J. Zhang , S. Wang , S. C. Vogel , R. M. Nieminen , A. M. Asiri , Y. Zhao , A. Y. Obaid

A previously unreported ferroelectric phase has been revealed on a highly homogeneous sample of Pb(Zr0.52Ti0.48)O3 by high-resolution synchrotron x-ray powder diffraction measurements. At ambient temperature the sample has tetragonal…

Materials Science · Physics 2009-10-31 B. Noheda , D. E. Cox , G. Shirane , J. A. Gonzalo , L. E. Cross , S-E. Park , .

A new lead-free (1-x)Li0.12Na0.88NbO3-xBaTiO3 (0 to x to 40) piezoelectric ceramics have been prepared using conventional ceramics processing route. Structural analysis revealed an existence of morphotropic phase boundary (MPB), separating…

Materials Science · Physics 2014-12-24 Supratim Mitra , Ajit R. Kulkarni

Synchrotron x-ray powder diffraction measurements have been performed on unpoled ceramic samples of (1-x)PbMg(1/3)Nb(2/3)O3-xPbTiO3 (PMN-xPT) with 30%<= x<= 39% as a function of temperature around the morphotropic phase boundary (MPB),…

Materials Science · Physics 2009-11-07 B. Noheda , D. E. Cox , G. Shirane , Z. -G. Ye , J. Gao

A monoclinic phase was recently discovered near the morphotropic phase boundary in several high-performance piezoelectric perovskite solid solutions, but its properties have not been reported. In this paper the dielectric, piezo- and…

Materials Science · Physics 2016-08-31 A. A. Bokov , Z. -G. Ye

Piezoelectric and ferroelectric ceramics with a high Curie temperature (Tc) have attracted a growing attention owning to their applications under severe environments. In this work, phase structure, dielectric, ferroelectric and…

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