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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…

We use a group theoretical approach to enumerate the possible couplings between magnetism and ferroelectric polarisation in the parent $Pm\bar{3}m$ perovskite structure. We show that third order magnetoelectric coupling terms must always…

材料科学 · 物理学 2018-05-18 Mark S. Senn , Nicholas C. Bristowe

We uncover a new pathway towards multiferroicity, showing how magnetism can drive ferroelectricity without relying on inversion symmetry breaking of the magnetic ordering. Our free-energy analysis demonstrates that any commensurate…

材料科学 · 物理学 2009-11-11 Joseph J. Betouras , Gianluca Giovannetti , Jeroen van den Brink

Multiferroics are a unique class of materials where magnetic and ferroelectric orders coexist. The research on multiferroics contributes significantly to the fundamental understanding of the strong correlations between different material…

材料科学 · 物理学 2021-11-03 A. C. Garcia-Castro , Yanjun Ma , Zachary Romestan , Eric Bousquet , Cheng Cen , Aldo H. Romero

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…

We present the microscopic theory of improper multiferroicity in BiMnO3, which can be summarized as follows: (1) the ferroelectric polarization is driven by the hidden antiferromagnetic order in the otherwise centrosymmetric C2/c structure;…

材料科学 · 物理学 2010-11-01 I. V. Solovyev , Z. V. Pchelkina

Multiferroics offer exciting opportunities for electric-field control of magnetism. Unfortunately, single-phase multiferroics suitable for such applications at room temperature has not been discovered. Here, we propose the concept of a new…

材料科学 · 物理学 2015-06-19 X. Z. Lu , H. J. Xiang

We analyze the coupling between the ferroelectric and magnetic order parameters in the magnetoelectric multiferroic BiFeO_3 using density functional theory within the local spin density approximation and the LSDA+U method. We show that weak…

材料科学 · 物理学 2007-05-23 Claude Ederer , Nicola A. Spaldin

Multiferroic materials, characterized by the coexisting of ferroelectric polarization (breaking spatial inversion symmetry) and magnetism (breaking time-reversal symmetry), with strong magnetoelectric coupling, are highly sought after for…

材料科学 · 物理学 2025-04-14 Wei Sun , Wenxuan Wang , Changhong Yang , Ying Liu , Xiaotian Wang , Shifeng Huang , Zhenxiang Cheng

We describe the design of a new magnetic ferroelectric with large spontaneous magnetization and polarization using first-principles density functional theory. The usual difficulties associated with the production of robustly-insulating…

材料科学 · 物理学 2011-11-09 Pio Baettig , Nicola Spaldin

We report coupling between magnetic and electric orders for antiferromagnetic polycrystalline FeVO4 in which magnetism-induced polarization has been recently found in noncollinear antiferromagnetic state below the second antiferromagnetic…

材料科学 · 物理学 2009-11-17 Bohdan Kundys , Christine Martin , Charles Simon

We investigate the electronic structure and the ferroelectric properties of the recently discovered multiferroic ScFeO$_3$ by means of ab-initio calculations. The $3d$ manifold of Fe in the half-filled configuration naturally favors an…

Multiferroics, where two or more ferroic order parameters coexist, is one of the hottest fields in condensed matter physics and materials science[1-9]. However, the coexistence of magnetism and conventional ferroelectricity is physically…

材料科学 · 物理学 2016-03-11 Xiangang Wan , Hang-Chen Ding , Sergey Y. Savrasov , Chun-Gang Duan

Multiferroics (MFs) are materials with two or more ferroic orders, like spontaneous ferroelectric and ferromagnetic polarizations. Such materials can exhibit a magnetoelectric effect whereby magnetic and ferroelectric polarizations couple…

Materials with coexisting and coupled ferroelectric and magnetic orders are rare. Here we show, using density functional theory calculations, that inducing Fe$_\mathrm{La}$ antisites into non-ferroelectric and antiferromagnetic LaFeO$_3$…

材料科学 · 物理学 2025-08-13 Souren Majani , Harish K. Singh , Ulrich Aschauer

Using first principles calculations, we study the microscopic origin of ferroelectricity (FE) induced by magnetic order in the orthorhombic HoMnO3. We obtain the largest ferroelectric polarization observed in the whole class of improper…

材料科学 · 物理学 2009-11-13 Silvia Picozzi , Kunihiko Yamauchi , Biplab Sanyal , Ivan A. Sergienko , Elbio Dagotto

By means of first-principles simulations, we unambiguously show that improper ferroelectricity in magnetite in the low-temperature insulating phase is driven by charge-ordering. An accurate comparison between monoclinic ferroelectric Cc and…

材料科学 · 物理学 2015-05-13 Kunihiko Yamauchi , Tetsuya Fukushima , Silvia Picozzi

Multiferroics, defined for those multifunctional materials in which two or more kinds of fundamental ferroicities coexist, have become one of the hottest topics of condensed matter physics and materials science in recent years. The…

材料科学 · 物理学 2015-05-13 K. F. Wang , J. -M. Liu , Z. F. Ren

With a combined ab initio density functional and model Hamiltonian approach we establish that in the recently discovered multiferroic phase of the manganite Sr$_{1/2}$Ba$_{1/2}$MnO$_{3}$ the polar distortion of Mn and O ions is stabilized…

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
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