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The temperature dependence of the elastic properties of antiferroelectric PbHfO3 was investigated by Brillouin scattering. The two structural phase transitions of antiferroelectric-antiferroelectric-paraelectric phases were clearly…

Materials Science · Physics 2015-06-18 Jae-Hyeon Ko , Krystian Roleder , Andrzej Majchrowski , Annette Bussmann-Holder

An effective Hamiltonian for the ferroelectric transition in $PbTiO_3$ is constructed from first-principles density-functional-theory total-energy and linear-response calculations through the use of a localized, symmetrized basis set of…

mtrl-th · Physics 2009-10-28 K. M. Rabe , U. V. Waghmare

Currently used methods for the description of thermodynamics of ferroelectric thin films (Landau theory or ab initio based Monte-Carlo simulations) are based on an energy expansion in terms of internal degrees of freedom. It was shown that…

Materials Science · Physics 2013-05-08 Alexander Kvasov , Alexander K. Tagantsev

Ferroelectricity in hafnia is often regarded as a breakthrough discovery in ferroelectrics, potentially able to revolutionize the whole field. Despite increasing interests, a comprehensive understanding of the many factors driving the…

Materials Science · Physics 2021-06-16 Francesco Delodovici , Paolo Barone , Silvia Picozzi

Structural softness - often characterized by unstable phonon modes and large electromechanical responses - is a hallmark of ferroelectric perovskites like BaTiO3 or Pb(Ti,Zr)O3. Whether HfO2 ferroelectrics present any such structural…

Materials Science · Physics 2024-12-30 Binayak Mukherjee , Natalya S. Fedorova , Jorge Íñiguez-González

Flexoelectricity (coupling between polarization and strain gradients) is a property of all dielectric materials that has been theoretically known for decades, but it is only relatively recently that it has begun to attract experimental…

Materials Science · Physics 2018-10-17 P. Vales-Castro , Krystian Roleder , Lei Zhao , Jing-Feng Li , Dariusz Kajewski , Gustau Catalan

Stable and switchable polarization of ferroelectric materials opens a possibility to electrically control their functional behavior. A particularly promising approach is to employ ferroelectric tunnel junctions where the polarization…

We have used an effective model of ferroelectric PbTiO$_{3}$, which displays a representative soft mode-driven phase transition, to investigate how different features of the potential-energy surface affect the transition temperature $T_{\rm…

Materials Science · Physics 2013-12-05 Jacek C. Wojdeł , Jorge Íñiguez

The influence of the B-site ion substitutions in (1-x)(Bi1/2Na1/2)TiO3-xBaTiO3 system of solid solutions on the relative stability of the ferroelectric and antiferroelectric phases has been studied. The ions of zirconium, tin, along with…

Materials Science · Physics 2017-06-22 V. M. Ishchuk , D. V. Kuzenko , V. L. Sobolev

We report that an energetic plasma process is extremely effective in enlarging the unit cell volume and ferroelectric distortion of the ferroelectric oxides, resulting in a significant increase in its Tc. We demonstrate experimentally that…

BaTiO3 (BTO) is one of the most interesting classes of perovskite materials. The present study has been complied to explore some physical properties such as mechanical, vibrational, thermo-physical, and temperature dependent thermodynamic…

Materials Science · Physics 2025-12-11 Arpon Chakraborty , M. N. H. Liton , M. S. I. Sarker , M. M. Rahman , M. K. R. Khan

Controlling magnetism by using electric fields is a goal of research towards novel spintronic devices and future nano-electronics. For this reason, multiferroic heterostructures attract much interest. Here we provide experimental evidence,…

The question whether ferroelectricity (FE) may coexist with a metallic or highly conducting state, or rather it must be suppressed by the screening from the free charges, is the focus of a rapidly increasing number of theoretical studies…

Materials Science · Physics 2019-02-20 F. Cordero , F. Trequattrini , F. Craciun , H. T. Langhammer , D. A. B. Quiroga , P. S. Silva

The multiferroic properties of EuTiO3 are greatly enhanced when a sample is strained, signifying that coupling between strain and structural, magnetic or ferroelectric order parameters is extremely important. Here resonant ultrasound…

Materials Science · Physics 2015-03-19 J. Schiemer , L. J. Spalek , S. S. Saxena , C. Panagopoulos , T. Katsufuji , M. A. Carpenter

Two-dimensional CrI3 has attracted much attention as it is reported to be a ferromagnetic semiconductor with the Curie temperature around 45K. By performing first-principles calculations, we find that the magnetic ground state of CrI3 is…

Computational Physics · Physics 2019-01-09 Zewen Wu , Jin Yu , Shengjun Yuan

Two-dimensional (2D) magnetic materials have attracted considerable interest owing to their potential applications in spintronics and fundamental investigations into low-dimensional magnetism. Cr2Te3, a quasi 2D non van der Waals magnet,…

Materials Science · Physics 2025-03-27 Long Zhang , Zhongzhu Jiang , Yugang Zhang , Jing Zhang , Aifeng Wang , Mingquan He , Yuping Sun , Xuan Luo , Yisheng Chai

Magnetic phase transitions in multiferroic bismuth ferrite (BiFeO3) induced by magnetic field, epitaxial strain, and composition modification are considered. These transitions from a spatially modulated spin spiral state to a homogenous…

Strongly Correlated Electrons · Physics 2008-12-28 A. M. Kadomtseva , Yu. F. Popov , A. P. Pyatakov , G. P. Vorob'ev , A. K. Zvezdin , D. Viehland

The effect of ferroelectric fluctuations on the temperature dependent dielectric constant of SrTiO$_3\,$(STO) has been long studied. Those fluctuations have been shown in recent years to be quantum critical and STO demonstrated to form the…

Strongly Correlated Electrons · Physics 2019-12-18 M. J. Coak , C. R. S. Haines , C. Liu , G. G. Guzmán-Verri , S. S. Saxena

We have investigated the dielectric properties of Gd$_{1-x}$Tb$_{x}$MnO$_{3}$ crystals in magnetic fields to clarify the crossover between two distinct ferroelectric phases, GdMnO$_{3}$-type (first-order displacive) and TbMnO$_{3}$-type…

Strongly Correlated Electrons · Physics 2009-11-11 K. Noda , S. Nakamura , H. Kuwahara

Hafnia (HfO2) is a silicon-compatible dielectric material, yet stabilizing its desired but metastable ferroelectric phase remains challenging. Phase stability predictions by density functional theory (DFT) have provided crucial guidance,…

Materials Science · Physics 2026-04-21 Yiheng Shen , Chang Liu , Wei Xie , Wei Ren