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Literature DB >> 10990960

Finite-temperature properties of Pb(Zr1-xTi(x))O3 alloys from first principles

Abstract

A first-principles-derived approach is developed to study finite-temperature properties of Pb(Zr1-xTix)O3 (PZT) solid solutions near the morphotropic phase boundary (MPB). Structural and piezoelectric predictions are in excellent agreement with experimental data and direct first-principles results. A low-temperature monoclinic phase is confirmed to exist, and is demonstrated to act as a bridge between the well-known tetragonal and rhombohedral phases delimiting the MPB. A successful explanation for the large piezoelectricity found in PZT ceramics is also provided.

Year: 2000 PMID： 10990960 DOI： 10.1103/PhysRevLett.84.5427

Source DB: PubMed Journal: Phys Rev Lett ISSN： 0031-9007 Impact factor: 9.161

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Cited

16 in total

1. Flexoelectric rotation of polarization in ferroelectric thin films.

Authors: G Catalan; A Lubk; A H G Vlooswijk; E Snoeck; C Magen; A Janssens; G Rispens; G Rijnders; D H A Blank; B Noheda
Journal: Nat Mater Date: 2011-10-16 Impact factor: 43.841

2. Contributions of domain wall motion to complex electromechanical coefficients of 0.62Pb(Mg(13)Nb(23))O(3)-0.38PbTiO(3) crystals.

Authors: Zhu Wang; Rui Zhang; Enwei Sun; Wenwu Cao
Journal: J Appl Phys Date: 2010-01-13 Impact factor: 2.546

Review 3. Theoretical Methods of Domain Structures in Ultrathin Ferroelectric Films: A Review.

Authors: Jianyi Liu; Weijin Chen; Biao Wang; Yue Zheng
Journal: Materials (Basel) Date: 2014-09-12 Impact factor: 3.623

4. Relaxor-based ferroelectric single crystals: growth, domain engineering, characterization and applications.

Authors: Enwei Sun; Wenwu Cao
Journal: Prog Mater Sci Date: 2014-08-01

5. Inverse transition of labyrinthine domain patterns in ferroelectric thin films.

Authors: Y Nahas; S Prokhorenko; J Fischer; B Xu; C Carrétéro; S Prosandeev; M Bibes; S Fusil; B Dkhil; V Garcia; L Bellaiche
Journal: Nature Date: 2020-01-01 Impact factor: 49.962

6. High-density switchable skyrmion-like polar nanodomains integrated on silicon.

Authors: Lu Han; Christopher Addiego; Sergei Prokhorenko; Meiyu Wang; Hanyu Fu; Yousra Nahas; Xingxu Yan; Songhua Cai; Tianqi Wei; Yanhan Fang; Huazhan Liu; Dianxiang Ji; Wei Guo; Zhengbin Gu; Yurong Yang; Peng Wang; Laurent Bellaiche; Yanfeng Chen; Di Wu; Yuefeng Nie; Xiaoqing Pan
Journal: Nature Date: 2022-03-02 Impact factor: 49.962

Finite-temperature properties of Pb(Zr1-xTi(x))O3 alloys from first principles

1. Flexoelectric rotation of polarization in ferroelectric thin films.

2. Contributions of domain wall motion to complex electromechanical coefficients of 0.62Pb(Mg(13)Nb(23))O(3)-0.38PbTiO(3) crystals.

Review 3. Theoretical Methods of Domain Structures in Ultrathin Ferroelectric Films: A Review.

4. Relaxor-based ferroelectric single crystals: growth, domain engineering, characterization and applications.

5. Inverse transition of labyrinthine domain patterns in ferroelectric thin films.

6. High-density switchable skyrmion-like polar nanodomains integrated on silicon.

7. Why Sn doping significantly enhances the dielectric properties of Ba(Ti 1-x Snx)O3.

8. Discovery of stable skyrmionic state in ferroelectric nanocomposites.

9. The origin of ultrahigh piezoelectricity in relaxor-ferroelectric solid solution crystals.

10. Quantum-mechanical analysis of effect of alloying elements on ε-martensite start temperature of steels.