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Comprehensive review of investigations of substances with a small difference in the energies of the ferroelectric and antiferroelectric types of dipole ordering is presented. Detailed analysis of the stability of homogeneous phases and…

Materials Science · Physics 2018-01-11 V. M. Ishchuk , V. L. Sobolev

The prototypical antiferroelectric PbZrO$_3$ has several unsettled questions, such as the nature of the antiferroelectric transition, possible intermediate phase and the microscopic origin of the Pbam ground state. Using first principles,…

Materials Science · Physics 2019-07-24 Bin Xu , Olle Hellman , L. Bellaiche

We present a detailed analysis of the phase diagram of antiferromagnets with competing exchange-driven and field-induced order parameters. By using the quasi-1D antiferromagnet BaCu_2Si_2O_7 as a test case, we demonstrate that a model based…

Strongly Correlated Electrons · Physics 2013-03-14 V. N. Glazkov , F. Casola , H. -R. Ott , T. Shiroka

Despite multiple efforts, there exist many unsolved fundamental problems related with detection and analysis of internal polarization structure and related phase transitions in ferroelectric domain walls. Their solution can be very…

In this review, we hope to give the reader a self-contained contemporary presentation of the application of Landau theory to ferroelectrics. We begin by developing Landau theory for homogenous bulk ferroelectrics and then consider the…

Materials Science · Physics 2007-05-23 P. Chandra , P. B. Littlewood

Under a sufficiently high applied electric field, a non-polar antiferroelectric material, such as \ce{PbZrO3}, can undergo a rapid transformation to a polar ferroelectric phase. While this behavior is promising for energy storage and…

When subjected to electro-mechanical loading, ferroelectrics see their polarization evolve through the nucleation and evolution of domains. Existing mesoscale phase-field models for ferroelectrics are typically based on a gradient-descent…

Materials Science · Physics 2023-05-10 Laurent Guin , Dennis Kochmann

Relaxor ferroelectrics, which can exhibit exceptional electromechanical coupling are some of the most important functional materials with applications ranging from ultrasound imaging to actuators and sensors in microelectromechanical…

The Landau theory of 180 degrees domain walls in BaTiO3 type ferroelectric particles is presented. Results of exact description of domain walls in bulk enabled us to formulate variational approach to theory of domain walls in corresponding…

Materials Science · Physics 2021-08-17 Ondrej Hudak , Matej Hudak

We report a molecular dynamics study of ab initio quality of the ferroelectric phase transition in crystalline PbTiO3. We model anharmonicity accurately in terms of potential energy and polarization surfaces trained on density functional…

Materials Science · Physics 2025-04-02 Pinchen Xie , Yixiao Chen , Weinan E , Roberto Car

The coexistence of different ferroelectric phases enables the tunability of the macroscopic properties and extensive applications from piezoelectric transducers to nonvolatile memories. Here we develop a thermodynamic model to predict the…

Materials Science · Physics 2022-01-26 Yang Zhang , Fei Xue , Bo Wang , Jia-Mian Hu , Shuai Dong , Jun-Ming Liu , Long-Qing Chen

A lattice generalization of the $(b_{1u}\oplus b_{2g})\otimes b_{3u}$ pseudo-Jahn-Teller model is analyzed within mean-field theory. Ferroelectric or antiferroelectric ground states are found for sufficiently large pseudo-Jahn-Teller…

Condensed Matter · Physics 2007-05-23 Dennis P. Clougherty

A continuum approach to study magnetoelectric multiferroic $\mathrm{BiFeO}_3$ (BFO) is proposed. Our modeling effort marries the ferroelectric (FE) phase field method and micromagnetic simulations in order to describe the entire…

Materials Science · Physics 2024-03-25 John Mangeri , Davi Rodrigues , Sudipta Biswas , Monica Graf , Olle Heinonen , Jorge Íñiguez

We study the possibility to apply phenomenological approach to the description of magnetic transitions in UGe2 with the help of Landau free energy expanded to 8-th order in magnetisation. The analysis shows that for certain values of…

Superconductivity · Physics 2020-11-16 Diana V. Shopova

New experimental data on solid solutions of quantum paraelectrics with KTaO_3:Nb as an example are considered within a framework of a quantum theory of ferroelectric phase transitions. In order to describe the effect of local…

Materials Science · Physics 2009-11-07 S. Prosandeev , V. Trepakov , S. Kapphan , M. Savinov

The microstructure and phase transition in relaxor ferroelectric Pb(Mg1/3Nb2/3)O3 (PMN) and its solid solution with PbTiO3 (PT), PMN-xPT, remain to be one of the most puzzling issues of solid state science. In the present work we have…

Materials Science · Physics 2009-11-07 Z. -G. Ye , Y. Bing , J. Gao , A. A. Bokov , P. Stephens , B. Noheda , G. Shirane

Combining our comprehensive investigations of polarization evolution, soft-mode by Raman scattering and microstructure by TEM, and the results reported in the literatures, we show that prototypical relaxor Pb(Mg1/3Nb2/3)O3 (PMN) is…

Materials Science · Physics 2013-01-17 Desheng Fu , Hiroki Taniguchi , Mitsuru Itoh , Shigeo Mori

A simple description of thermodynamics of DMAAS and DMAGaS ferroelectric crystals by means of Landau expansion is proposed. Conditions of occurrence of phase transitions are established and their temperatures are obtained. The influence of…

Materials Science · Physics 2007-05-23 I. V. Stasyuk , O. V. Velychko , Z. Czapla , R. Czukwinski

This letter reports microwave dielectric measurements performed in the antiferroelectric phase of NaNbO3 ceramics from 100 to 450 K. Remarkable dielectric relaxations were found within the antiferroelectric phase and in the vicinity of…

Materials Science · Physics 2009-11-10 M. H. Lente , J. de Los S. Guerra , J. A. Eiras

Results of detailed investigations of stability of phases in substances with the small difference in the energies of the ferroelectric and the antiferroelectric types of dipole ordering are presented. It is shown that interaction of locally…

Materials Science · Physics 2010-12-14 V. M. Ishchuk , V. L. Sobolev