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We present ab initio calculations of hidden magnetoelectric multipolar order in Cr$_2$O$_3$ and its iron-based analogue, $\alpha$-Fe$_2$O$_3$. First, we discuss the connection between the order of such hidden multipoles and the linear…

Materials Science · Physics 2023-11-14 Xanthe H. Verbeek , Andrea Urru , Nicola A. Spaldin

In this article, we perform the symmetry analysis of perovskite-based multiferroics: bismuth ferrite (BiFeO3)-like, orthochromites (RCrO3), and Ruddlesden-Popper perovskites (Ca3Mn2O7-like), being the typical representatives of…

Materials Science · Physics 2022-01-26 Zukhra Gareeva , Anatoly Zvezdin , Konstantin Zvezdin , Xiang Ming Chen

Two-dimensional (2D) multiferroic materials are ideal systems for exploring new coupling mechanisms between different ferroic orders and producing novel quantum phenomena with potential applications. We employed first-principles density…

Materials Science · Physics 2022-09-20 Weiwei Gao , Jijun Zhao , James R. Chelikowsky

Multiferroic hexagonal rare-earth ferrites (h-RFeO3, R=Sc, Y, and rare earth), in which the improper ferroelectricity and canted antiferromagnetism coexist, have been advocated as promising candidates to pursue the room-temperature…

Materials Science · Physics 2025-09-09 Xin Li , Yu Yun , Xiaoshan Xu

"Hidden"-order phases with high-rank multipolar order parameters have been recently detected in several cubic double perovskites of 5$d$ transition metals. Here, by constructing and solving an ab initio low-energy Hamiltonian, we show that…

Strongly Correlated Electrons · Physics 2025-04-02 Dario Fiore Mosca , Leonid V. Pourovskii

We study the multiferroic properties in the distorted tetrahedral quasi-one dimensional spin system Cu$_3$Mo$_2$O$_9$, in which the effects of the low dimensionality and the magnetic frustration are expected to appear simultaneously. We…

Strongly Correlated Electrons · Physics 2015-06-03 T. Hosaka , S. Hachiuma , H. Kuroe , T. Sekine , M. Hase , K. Oka , T. Ito , H. Eisaki , M. Fujisawa , S. Okubo , H. Ohta

We have studied the influence of antiferromagnetic ordering on the local dielectric moments of the MnO_5 and LuO_7 polyhedra by measuring neutron powder diffraction patterns of LuMnO_3 at temperatures near T_N. We show that the coupling is…

Strongly Correlated Electrons · Physics 2009-11-10 Bas B. Van Aken , Thomas T. M. Palstra

The orthovanadate DyVO3 crystal, known to exhibit multiple structural, spin and orbital ordering transitions, is presently investigated on the basis of magnetization, heat capacity, resistivity, dielectric and polarization measurements. Our…

Strongly Correlated Electrons · Physics 2014-07-24 Q. Zhang , K. Singh , C. Simon , L. D. Tung , G. Balakrishnan , V. Hardy

The symmetry properties, order parameters, and magnetoelectric phase diagrams of multiferroics are discussed. After brief reviews of Ni$_3$V$_2$O$_8$, TbMnO$_3$, and RbFe(MoO$_4$)$_2$, we present a detailed analysis of RMn$_2$O$_5$ (with…

Materials Science · Physics 2009-11-13 A. B. Harris , Amnon Aharony , O. Entin-Wohlman

We show that time-reversal symmetry broken, centrosymmetric antiferromagnets with nonrelativistic spin-splitting are conveniently described in terms of the ferroic ordering of magnetic octupoles. The magnetic octupoles are the lowest-order…

Strongly Correlated Electrons · Physics 2025-06-10 Sayantika Bhowal , Nicola A. Spaldin

In many multiferroics, rare-earth and transition-metal orders exist side by side. For analyzing their interaction and its consequences for the multiferroic state, the associated domain patterns and their spatial correlation can give…

We use first-principles density functional theory-based calculations to investigate structural instabilities in the high symmetry cubic perovskite structure of rare-earth (R $=$ La, Y, Lu) and Bi-based biferroic chromites, focusing on…

Materials Science · Physics 2009-11-13 Nirat Ray , Umesh V. Waghmare

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 generic magnetic phase diagram of multiferroic RMn$_2$O$_5$ (with R=Y, Ho, Tb, Er, Tm), which allows different sequences of ordered magnetic structures for different R's and different control parameters, is described using order…

Materials Science · Physics 2009-11-13 A. B. Harris , Amnon Aharony , Ora Entin-Wohlman

In this paper we examine the role of crystal chemistry factors in creating conditions for formation of magnetoelectric ordering in BiFeO3. It is generally accepted that the main reason of the ferroelectric distortion in BiFeO3 is concerned…

Materials Science · Physics 2011-06-03 L. M. Volkova , D. V. Marinin

Orthorhombic HoMnO3 is a multiferroic in which Mn antiferromagnetic order induces ferroelectricity. A second transition occurs within the multiferroic phase, in which a strong enhancement of the ferroelectric polarization occurs…

Strongly Correlated Electrons · Physics 2021-01-04 Y. W. Windsor , M. Ramakrishnan , L. Rettig , A. Alberca , T. Lippert , C. W. Schneider , U. Staub

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…

We show that charge ordered rare-earth nickelates of the type RNiO3 (R= Ho, Lu, Pr and Nd) are multiferroic with very large magnetically induced ferroelectric (FE) polarizations. This we determine from first principles electronic structure…

Strongly Correlated Electrons · Physics 2010-07-15 Gianluca Giovannetti , Sanjeev Kumar , Daniel Khomskii , Silvia Picozzi , Jeroen van den Brink

Combining infrared reflectivity, transport, susceptibility and several diffraction techniques, we find compelling evidence that CaCrO3 is a rare case of a metallic and antiferromagnetic transition-metal oxide with a three-dimensional…

Multiferroic rare earth manganites attracted recent attention because of the coexistence of different types of magnetic and ferroelectric orders resulting in complex phase diagrams and a wealth of physical phenomena. The coupling and mutual…

Strongly Correlated Electrons · Physics 2007-05-23 B. Lorenz , C. R. dela Cruz , F. Yen , Y. Q. Wang , Y. Y. Sun , C. W. Chu
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