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Density functional calculations are performed to investigate the experimentally-reported field-induced phase transition in thin-film ZrO2 (J. Muller et al., Nano. Lett. 12, 4318). We find a small energy difference of ~ 1 meV/f.u. between…

Materials Science · Physics 2014-10-22 Sebastian E. Reyes-Lillo , Kevin F. Garrity , Karin M. Rabe

In the archetypal antiferroelectric PbZrO3, antiparallel electric dipoles cancel each other, resulting in zero spontaneous polarisation at the macroscopic level. Yet in actual hysteresis loops, the cancellation is rarely perfect and some…

The recent discovery of transient negative capacitance has sparked an intense debate on the role of homogeneous and inhomogeneous mechanisms in polarizations switching. In this work, we report observation of transient negative capacitance…

Although ferroelectric materials are characterised by their parallel arrangement of electric dipoles, in the right boundary conditions these dipoles can reorganize themselves into vortices, antivortices and other non-trivial topological…

Antiferroelectrics are emerging as advanced functional materials and are fertile ground for unusual electric effects. For example, they enhance the recoverable energy density in energy storage applications and give rise to large…

Charged polar interfaces such as charged ferroelectric domain walls or heterostructured interfaces of ZnO/(Zn,Mg)O and LaAlO3/SrTiO3, across which the normal component of electric polarization changes suddenly, can host large…

Materials Science · Physics 2016-06-06 F. -T. Huang , F. Xue , B. Gao , L. H. Wang , X. Luo , W. Cai , X. Lu , J. M. Rondinelli , L. Q. Chen , S. -W. Cheong

Combining ferroelectricity with other properties such as visible light absorption or long-range magnetic order requires the discovery of new families of ferroelectric materials. Here, through the analysis of a high-throughput database of…

Ferroelectricity, a hallmark of spontaneous inversion-symmetry breaking, has been a central concept in condensed matter physics and functional materials research, yet recent discoveries are revealing that switchable polarization can emerge…

Materials Science · Physics 2026-05-11 Yudi Yang , Changming Ke , Shi Liu

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;…

Ferroelectricity is usually found in compound materials composed by different elements. Here, based on first-principles calculations, we reveal the first example of spontaneous electrical polarization and ferroelectricity in stable…

Materials Science · Physics 2017-06-20 Chengcheng Xiao , Fang Wang , Shengyuan A. Yang , Yunhao Lu

Ferroelectric fluorite dioxides like hafnium (HfO2)-based materials are considered to be one of the most potential candidates for nowadays large-scale integrated-circuits (ICs). While zirconia (ZrO2)-based fluorites materials, which has the…

Materials Science · Physics 2025-03-05 Xianglong Li , Zengxu Xu , Songbai Hu , Mingqiang Gu , Yuanmin Zhu , Qi Liu , Yihao Yang , Mao Ye , Lang Chen

Antiferroelectrics attract broad attention due to their unusual physical characteristics, chief among which is the double-hysteresis loop that separates their antipolar ground state from the voltage-induced polar phase, which is promising…

Materials Science · Physics 2025-03-27 G. Catalan , A. Gruverman , J. Íñiguez-González , D. Meier , M. Trassin

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…

Li2SrNb2O7 (LSNO) crystallizes in a structure closely related to n = 2 Ruddlesden-Popper-type compounds, which is gen-erally formed by intergrowth of 2-dimensional perovskite-type blocks and rocksalt-type layers. The present study…

A ferroelectric is a material with a polar structure whose polarity can be reversed by applying an electric field. In metals, the itinerant electrons tend to screen electrostatic forces between ions, helping to explain why polar metals are…

Antiferroelectrics have been recently sparking interest due to their potential use in energy storage and electrocaloric cooling. Their main distinctive feature is antiferroelectric switching, i.e. the possibility to induce a phase…

In solids, charge polarity can one-to-one correspond to spin polarity phenomenologically, e.g. ferroelectricity/ferromagnetism, antiferroelectricity/antiferromagnetism, and even dipole-vortex/magnetic-vortex, but…

Lead zirconate (PbZrO$_3$) is considered the prototypical antiferroelectric material with an antipolar ground state. Yet, several experimental and theoretical works hint at a partially polar behaviour in this compound, indicating that the…

Materials Science · Physics 2021-12-09 Hugo Aramberri , Claudio Cazorla , Massimiliano Stengel , Jorge Íñiguez

The first switchable electric polarization in metals was recently discovered in bilayer and trilayer WTe2. Strangely, despite the tininess of the ordered polarization, the ferroelectricity survives up to 350 K, rendering the mechanism of…

Materials Science · Physics 2025-07-25 Fangyuan Gu , Ruoshi Jiang , Wei Ku

Magnetoelectric and magnetoelastic phenomena correlated with a phase transition into noncollinear magnetic phase have been investigated for single crystals of CuFeO2 with a frustrated triangular lattice. CuFeO2 exhibits several…

Strongly Correlated Electrons · Physics 2009-11-11 T. Kimura , J. C. Lashley , A. P. Ramirez
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