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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

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…

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

Properties of Pb(Zr_{1-x}Ti_x)O_3 (PZT) for compositions x near the morphotropic phase boundary and under an electric field are simulated using an ab-initio based approach. Applying an electric field of [111] orientation to tetragonal PZT…

Materials Science · Physics 2009-11-07 L. Bellaiche , A. Garcia , David Vanderbilt

Ferroelectric solid solutions usually exhibit giant dielectric response and high piezoelectricity in the vicinity of the morphotropic phase boundary (MPB), where the structural phase transitions between the rhombohedral and the tetragonal…

Materials Science · Physics 2024-07-02 Yubai Shi , Yifan Shan , Hongyu Wu , Zhicheng Zhong , Ri He , Run-Wei Li

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

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

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…

The origin of ultrahigh piezoelectricity in the relaxor ferroelectric PbZn1/3Nb2/3O3-PbTiO3 was studied with an electric field applied along the [001] direction. The zero-field rhombohedral R phase starts to follow the direct polarization…

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

The origin of the very large piezoelectric response observed in the vicinity of the morphotropic phase boundary (MPB) in perovskite lead zirconate titanate and related systems has been under intensive studies. Polarization rotation ideas…

Materials Science · Physics 2009-11-13 Johannes Frantti , Yukari Fujioka , Risto M. Nieminen

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

Anelastic and dielectric spectroscopy measurements on PZT close to the morphotropic (MPB) and antiferroelectric boundaries provide new insight in some controversial aspects of its phase diagram. No evidence is found of a border separating…

Materials Science · Physics 2015-05-27 F. Cordero , F. Trequattrini , F. Craciun , C. Galassi

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

There is a general perception that large piezoelectric response in ferroelectric alloys requires tuning the system towards a morphotropic phase boundary (MPB), i.e., a composition driven inter-ferroelectric instability. Here we show that…

A simple model to reproduce strong enhancement of dielectric response near the morphotropic phase boundary (MPB) is proposed. This model consists of long-range dipole-dipole interaction and compositional chemical disorder incorporated by…

Materials Science · Physics 2013-05-21 Yusuke Tomita , Takeo Kato

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

Ceramic solid solutions of PbZr(1-x)TixO3 (PZT) with compositions of about x= 0.50 are well-known for their extraordinarily large piezoelectric responses. The latter are highly anisotropic, and it was recently shown that, for the…

Materials Science · Physics 2007-05-23 B. Noheda , D. E. Cox

The growth of binary alloy clusters on a weakly interacting substrate through codeposition of two atomic species is studied by kinetic Monte Carlo simulation. Our model describes salient features of CoPt$_3$-nanoclusters, as obtained…

Statistical Mechanics · Physics 2007-05-23 Stefan Heinrichs , Wolfgang Dieterich , Philipp Maass

The fabrication of ZnSe/ZnTe superlattices grown by the process of rotating the substrate in the presence of an inhomogeneous flux distribution instead of successively closing and opening of source shutters is studied via Monte Carlo…

Materials Science · Physics 2009-11-07 H. Jeong , B. Kahng , S. Lee , C. Y. Kwak , A. -L. Barabasi , J. K. Furdyna

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
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