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Two-dimensional polarity is intriguing but remains in the early stage. Here a structural evolution diagram is established for GeS monolayer, which leads a noncollinear ferrielectric $\delta$-phase energetically as stable as the…

Materials Science · Physics 2021-04-21 Shi-Xin Song , Yang Zhang , Jie Guan , Shuai Dong

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

Enhanced room-temperature electromechanical coupling in the lead-free ferroelectric system $(1-x)$BaZr$_{0.2}$Ti$_{0.8}$O$_{3}$ - $x$Ba$_{0.7}$Ca$_{0.3}$TiO$_{3}$ (abbreviated as BZCT) at $x=0.5$ is attributed to the existence of a…

Materials Science · Physics 2021-01-11 Soumya Bandyopadhyay , Tushar Jogi , Ranjith Ramadurai , Saswata Bhattacharya

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

We use molecular dynamics simulations to understand the mechanisms of polarization switching in ferroelectric BaTiO$_3$ achieved with external electric field. For tetragonal and orthorhombic ferroelectric phases, we determine the switching…

Materials Science · Physics 2009-11-13 Jaita Paul , Takeshi Nishimatsu , Yoshiyuki Kawazoe , Umesh V. Waghmare

Lead-free (K0.48Na0.48Li0.04)(Nb1-xTax)O3 (KNLNT-x) ceramics were synthesized to study the effects of Li and Ta substitution on phase transition behavior, microstructure, and ferroelectric, dielectric, and piezoelectric properties. X-ray…

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

In this paper we study the size effects of the ferroelectric nanotube and nanowire phase diagrams and polar properties allowing for radial stress and depolarization field influence. The approximate analytical expression for the…

Materials Science · Physics 2009-05-09 Anna N. Morozovska , Maya D. Glinchuk , Eugene A. Eliseev

Electric field plays an important role in ferroelectric phase transition. There have been numerous phase field formulations attempting to account for electrostatic interactions subject to different boundary conditions. In this paper, we…

Computational Physics · Physics 2019-10-18 Qiang Du , Ruotai Li , Lei Zhang

The structural characteristics of the perovskite- based ferroelectric Pb(Zn1/3Nb2/3)O3-9%PbTiO3 at the morphotropic phase boundary (MPB) region (x≃0.09) have been analyzed. The analysis is based on the symmetry adapted free energy…

We describe ferroelectric thin films with circular electrodes and develop a thermodynamic theory that explains previously mysterious experiments. It is found to be especially useful for restricted geometries such as microstructures for…

Materials Science · Physics 2015-06-19 Laurent Baudry , Anaïs Sené , Igor A. Luk'yanchuk , Laurent Lahoche , James F Scott

Magnetoelectric properties of a coupled spin-electron model on a doubly decorated square lattice in an external electric field applied along the crystallographic axis [11] are rigorously examined with the help of generalized…

Strongly Correlated Electrons · Physics 2018-12-26 Hana Čenčariková , Jozef Strečka

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

Ferroelectrics are widely used for a broad array of technological applications due to their attractive electrical and electromechanical properties. In order to obtain large functional properties, material compositions are often designed to…

Materials Science · Physics 2025-01-31 Abhijit Pramanick , Laurent Daniel

The dynamical behavior of field-induced ferroelectric phase transitions in compositions of PbMg1/3Nb2/3O3(1-x)-PbTiO3(x) (PMN-PT) near the morphotropic phase boundary (MPB) was investigated using several electric-field application…

Materials Science · Physics 2026-04-07 Shivjeet Chanan , Joseph Kerchenfaut , Eduard Illin , Eugene V. Colla

The symmetric studies on the structure-property relationship of the unpoled and poled states of 0.67BiFeO3-0.33BaTiO3 (0.67BF-0.33BT) were conducted to understand the origin of the morphotropic phase boundary (MPB) in BF-BT. A typical…

Materials Science · Physics 2020-03-24 Yongxing Wei , Jiahao Shen , Chenxing Bai , Changqing Jin , Weitong Zhu , Ye Tian , Gang Xu

In this paper we study the size effects of the ferroelectric nanotube phase diagrams and polar properties allowing for effective surface tension and depolarization field influence. The approximate analytical expression for the…

Materials Science · Physics 2007-05-23 A. N. Morozovska , M. D. Glinchuk , E. A. Eliseev

Ferroelectrics with spontaneous electric polarization play an essential role in today's device engineering, such as capacitors and memories. Their physical properties are further enriched by suppressing the long-range polar order, as is…

Materials Science · Physics 2017-03-14 H. Sakai , K. Ikeura , M. S. Bahramy , N. Ogawa , D. Hashizume , J. Fujioka , Y. Tokura , S. Ishiwata

We study the free energy landscape of a minimal model for relaxor ferroelectrics. Using a variational method which includes leading correlations beyond the mean-field approximation as well as disorder averaging at the level of a simple…

Disordered Systems and Neural Networks · Physics 2013-10-22 G. G. Guzmán-Verri , P. B. Littlewood , C. M. Varma

The structural and polar properties of BiFeO3 at finite temperature are investigated using an atomistic shell model fitted to first-principles calculations. Molecular Dynamics simulations show a direct transition from the low-temperature…

Materials Science · Physics 2015-06-23 M. Graf , M. Sepliarsky , S. Tinte , M. G. Stachiotti
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