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A detailed investigation using variable temperature powder neutron diffraction demonstrates that BiFeO3 undergoes a phase transition from the ferroelectric alpha phase (rhombohedral, R3c) to a paraelectric beta phase (orthorhombic, Pbnm)…

Materials Science · Physics 2009-08-21 Donna C. Arnold , Kevin S. Knight , Finlay D. Morrison , Philip Lightfoot

HfO2, a simple binary oxide, holds ultra-scalable ferroelectricity integrable into silicon technology. Polar orthorhombic (Pbc21) form in ultra-thin-films ascribes as the plausible root-cause of the astonishing ferroelectricity, which has…

A transition in a spheroidal particle from the paraelectric to the ferroelectric phase as well as dynamic susceptibility are studied without approximation in the paraphase. It is assumed that the surface charge is compensated and the…

Materials Science · Physics 2008-07-22 O. Hudak

Polycrystals of CaxBa1-xNb2O6(CBN) tungsten bronze type oxides have been prepared and their structural, dielectric, and thermal properties have been investigated. It was found that CBN alloys with ferroelectric tetragonal tungsten bronze…

Materials Science · Physics 2015-09-24 Desheng Fu , Kensuke Fukusawa

We identify a first-order, isosymmetric transition between a ferrielectric (FiE) and ferroelectric (FE) state in $A$-site ordered LaScO$_{3}$/BiScO$_{3}$ and LaInO$_{3}$/BiInO$_{3}$ superlattices. Such a previously unreported ferroic…

Materials Science · Physics 2013-09-11 Gaoyang Gou , James M. Rondinelli

Antiferroelectricity is a material property characterized by alternating electric dipoles spontaneously ordered in antiparallel directions. Antiferroelectrics are promising for energy storage, solid-state cooling, and memory technologies;…

BiNiO$_3$ exhibits an unusual metal-insulator transition from $Pnma$ to $P\overline{1}$ that is related to charge ordering at the Bi sites, which is intriguingly distinct from the charge ordering at Ni sites usually observed in related…

Strongly Correlated Electrons · Physics 2023-12-29 Subhadeep Bandyopadhyay , Philippe Ghosez

Ferroelectrics and ionic conductors are important functional materials, each supporting a plethora of applications in information and energy technology. The underlying physics governing their functional properties is ionic motion, and yet…

Materials Science · Physics 2023-12-22 Liyang Ma , Jing Wu , Tianyuan Zhu , Yiwei Huang , Qiyang Lu , Shi Liu

We report ferrielectricity in a single-phase crystal, TSCC -- tris-sarcosine calcium chloride [(CH3NHCH2COOH)3CaCl2]. Ferrielectricity is well known in smectic liquid crystals but almost unknown in true crystalline solids. Pulvari reported…

To investigate the possible origin and mechanism of ferroelectricity in polycrystalline spin ices Ho2Ti2O7 and Dy2Ti2O7 a detailed dielectric study has been performed. Experimental finding suggests that both materials have two prominent…

Materials Science · Physics 2017-11-27 Pramod K. Yadav , Chandan Upadhyay

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

In ferroelectricity, atomic-scale dipole moments interact collectively to produce strong electro-mechanical coupling and switchable macroscopic polarization. Hence, the functionality of ferroelectrics emerges at a solid-solid phase…

Materials Science · Physics 2019-08-21 Maya Barzilay , Hemaprabha Elangovan , Yachin Ivry

Structural phase transitions drive several unconventional phenomena including some illustrious ferroic attributes which are relevant for technological advancements. With this note, we have investigated the structural transition of…

We show by means of ab-initio calculations that the organic molecular crystal TTF-CA is multiferroic: it has an instability to develop spontaneously both ferroelectric and magnetic ordering. Ferroelectricity is driven by a Peierls…

Monte Carlo simulations are used to examine cooperative creation of polar state in fluids of two-state particles with nonzero dipole in the excited state. With lowering temperature such systems undergo a second order transition from…

Soft Condensed Matter · Physics 2009-11-11 Dmitry V. Matyushov , Andriy Okhrimovskyy

A comparative theoretical study is presented for the rhombohedral R3 and R3m phase HfO2, of two possible forms in its heavily Zr-doped ferroelectric thin films found recently in experiments. Their structural stability and polarization under…

Materials Science · Physics 2023-07-03 Wenbin Ouyang , Fanghao Jia , Wei Ren

We report a systematic study of the structure, electric and magnetic properties of Ca$_3$Co$_{2-x}$Mn$_x$O$_6$ single crystals with $x =$ 0.72 and 0.26. The DC and AC magnetic susceptibilities display anomalies with characteristic of the…

Materials Science · Physics 2017-09-08 J. Shi , J. D. Song , J. C. Wu , X. Rao , H. L. Che , Z. Y. Zhao , H. D. Zhou , J. Ma , R. R. Zhang , L. Zhang , X. G. Liu , X. Zhao , X. F. Sun

Dabconium hybrid perovskites include a number of recently-discovered ferroelectric phases with large spontaneous polarisations. The origin of ferroelectric response has been rationalised in general terms in the context of hydrogen bonding,…

Materials Science · Physics 2020-06-11 Dominic J. W. Allen , Nicholas C. Bristowe , Andrew L. Goodwin , Hamish H. -M. Yeung

Traditional ferroelectrics undergo thermally-induced phase transitions whereby their structural symmetry increases. The associated higher-symmetry structure is dubbed {\em paraelectric}. Ferroelectric transition metal dichalcogenide…

A single crystal of lead-zirconate-titanate (PZT), composition Pb(Zr0.80Ti0.20)O3, was studied by polarized-Raman scattering as a function of temperature. Raman spectra reveal that the local structure deviates from the average structure in…

Materials Science · Physics 2015-06-23 J. Frantti , Y. Fujioka , A. Puretzky , Y. Xie , Z. -G. Ye , C. Parish , A. M. Glazer