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Based on density functional theory calculations and group theoretical analysis, we have studied NaLaMnWO$_{6}$ compound which has been recently synthesized [Phys. Rev. B 79, 224428 (2009)] and belongs to the $AA'BB'{\rm O}_{6}$ family of…

材料科学 · 物理学 2017-09-13 T. Fukushima , A. Stroppa , S. Picozzi , J. M. Perez-Mato

Ferroelectricity in perovskites is known to be suppressed by a moderate hydrostatic pressure. The notion that a polar instability should reappear in a higher pressure regime is well accepted theoretically but experiments have failed so far…

Multiferroics where at least two primary ferroic orders are present and coupled in a single system constitute an important class of materials. They attracted special consideration as they present both intriguing fundamental physics problems…

The (H,T)-phase diagram of the multiferroic perovskite TbMnO$_3$ was studied by high-resolution thermal expansion $\alpha(T)$ and magnetostriction $\Delta L(H)/L$ measurements. Below $T_{N}\simeq 42$ K, TbMnO$_3$ shows antiferromagnetic…

强关联电子 · 物理学 2009-11-13 D. Meier , N. Aliouane , D. N. Argyriou , J. A. Mydosh , T. Lorenz

We study the interplay of structural and polar distortions in hexagonal YMnO3 and short-period PbTiO3/SrTiO3 superlattices by means of first-principles calculations at constrained electric displacement field D. We find that in YMnO3 the…

材料科学 · 物理学 2015-06-05 Massimiliano Stengel , Craig J. Fennie , Philippe Ghosez

Perovskite manganites with small A-site ions, as the first and canonical branch of type-II multiferroics, are ideal systems to exhibit magnetism-induced ferroelectricity. Despite their established magnetoelectric phase diagrams under low…

材料科学 · 物理学 2026-01-15 Ming Yang , Jun Chen , Junfeng Wang , Chao Dong , Chengliang Lu , Gang Xu , Jinguang Cheng , Jianshi Zhou , Shuai Dong

Layers of perovskites, found in 3D materials, 2D heterostructures, and nanotubes, often distort from high symmetry to facilitate dipole polarisation that is exploitable in many applications. Using density-functional theory calculations,…

材料科学 · 物理学 2025-11-14 Shaowen Xu , Jeffrey R. Reimers , Fanhao Jia , Wei Ren

The question of how ferroelectric polarization is coupled to magnetism in magnetoelectric multiferroics, in which both types of order are simultaneously present, is of considerable scientific and practical interest. A recent Letter…

材料科学 · 物理学 2009-07-13 Rogerio de Sousa , Joel E. Moore

The octahedron tilt transitions of ABX_3 perovskite-structure materials lead to an anti-polar (or antiferroelectric) arrangement of dipoles, with the low temperature structure having six sublattices polarized along various crystallographic…

强关联电子 · 物理学 2013-05-29 Philip B. Allen , Yiing-Rei Chen , Santanu Chaudhuri , Clare P. Grey

A metastable perovskite BiFe0.5Sc0.5O3 synthesized under high-pressure (6 GPa) and high- temperature (1500 K) conditions was obtained in two different polymorphs, antipolar Pnma and polar Ima2, through an irreversible behaviour under a…

Interaction between dipoles often emerges intriguing physical phenomena, such as exchange bias in the magnetic heterostructures and magnetoelectric effect in multiferroics, which lead to advances in multifunctional heterostructures.…

In ABO3 perovskites, oxygen octahedron rotations are common structural distortions that can promote large ferroelectricity in BiFeO3 with an R3c structure [1], but suppress ferroelectricity in CaTiO3 with a Pbnm symmetry [2]. For many…

材料科学 · 物理学 2016-04-05 Hongwei Wang , Jianguo Wen , Dean J. Miller , Qibin Zhou , Mohan Chen , Ho Nyung Lee , Karin M. Rabe , Xifan Wu

This review devoted to multiferroic properties of Bismuth-based perovskites falls into two parts. The first part focuses on BiFeO3 and summarizes the recent progress made in the studies of its pressure-temperature phase diagram and…

材料科学 · 物理学 2015-02-03 Mael Guennou , Michel Viret , Jens Kreisel

Lead-free antiferroelectric perovskite $\rm AgNbO_3$ is nowadays attracting extensive research interests due to its promising applications in energy storage. Although great progress has been made in optimizing the material performance,…

材料科学 · 物理学 2025-11-18 Huazhang Zhang , Konstantin Shapovalov , Safari Amisi , Philippe Ghosez

Perovskite metal-organic frameworks (MOFs) have recently emerged as potential candidates for multiferroicity. However, the compounds synthesized so far possess only weak ferromagnetism and low polarization. Additionally, the very low…

材料科学 · 物理学 2018-01-24 Paresh Chandra Rout , Varadharajan Srinivasan

While defects are unavoidable in crystals and often detrimental to material performance, they can be a key ingredient for inducing functionalities when tailored. Here, we demonstrate that an A-site-deficient perovskite Y$_{1/3}$TaO$_3$…

We report a phenomenological magneto-structural model based on competing free-energy terms that couple either polar or chiral distortions in cubic quadruple perovskites, depending on the global direction of magnetic moments. The model…

Ferroic transition metal oxides, which exhibit spontaneous elastic, electrical, magnetic or toroidal order, exhibit functional properties that find use in ultrastable solid-state memories to sensors and medical imaging technologies. To…

材料科学 · 物理学 2015-03-20 Andrew T. Mulder , Nicole A. Benedek , James M. Rondinelli , Craig J. Fennie

There has been tremendous research activity in the field of magneto-electric (ME) multiferroics after Kimura et al. [1] showed that antiferromagnetic and ferroelectric order coexist in orthorhom- bically distorted perovskite TbMnO3 and are…

Perovskite solid solutions PbHfO3-PbSnO3 offer valuable opportunities for studying the formation mechsnisms of incommensurate phases, owing to the presence of an intermediate (between cubic and incommensurate) phase, which is stabilized in…

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