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We present a first-principles scheme for computing the magnetoelectric response of multiferroics. We apply our method to BiFeO3 (BFO) and related compounds in which Fe is substituted by other magnetic species. We show that under certain…

材料科学 · 物理学 2012-04-17 Jacek C. Wojdel , Jorge Iniguez

The magnetoelectric behavior of BiFeO$_3$ has been explored on the basis of accurate density functional calculations. The structural, electronic, magnetic, and ferroelectric properties of BiFeO$_3$ are predicted correctly without including…

材料科学 · 物理学 2007-05-23 P. Ravindran , R. Vidya , A. Kjekshus , H. Fjellvåg , O. Eriksson

We study from \textit{ab~initio} density functional theory calculations the structural and magnetic properties of the crystal KCoF$_3$. We found that the experimentally reported cubic to tetragonal phase transition is due to an electronic…

强关联电子 · 物理学 2025-12-23 Bogdan Guster , Maxime Braun , Eric Bousquet

Multiferroic materials have attracted much interest due to the unusual coexistence of ferroelectric and (anti-)ferromagnetic ground states in a single compound. They offer an exciting platform for new physics and potentially novel devices.…

强关联电子 · 物理学 2014-10-14 Je-Geun Park , Manh Duc Le , Jaehong Jeong , Sanghyun Lee

The linear magnetoelectric response of Cr2O3 at zero temperature is calculated from first principles by tracking the change in magnetization under a macroscopic electric field. Both the spin and the orbital contributions to the induced…

材料科学 · 物理学 2012-09-28 Andrei Malashevich , Sinisa Coh , Ivo Souza , David Vanderbilt

Given the paucity of single phase multiferroic materials (with large ferromagnetic moment), composite systems seem an attractive solution in the quest to realize magnetoelectric cou-pling between ferromagnetic and ferroelectric order…

介观与纳米尺度物理 · 物理学 2014-09-15 P. Jain , Q. Wang , M. Roldan , A. Glavic , V. Lauter , C. Urban , Z. Bi , T. Ahmed , J. Zhu , M. Varela , Q. Jia , M. R. Fitzsimmons

Our measured dielectric constant and mechanical response of multiferroic BiFeO3 indicate four phase transitions below room temperature. Features correlate with those reported at 50K (from a peak in the zero-field-cooled magnetic…

材料科学 · 物理学 2008-06-23 S. A. T. Redfern , C. Wang , J. W. Hong , G. Catalan , J. F. Scott

BiFeO$_3$ is the most famous multiferroic material, but it has no strong spontaneous magnetization due to its antiferromagnetism. Here we show that giant ferroelectric polarization and strong spontaneous magnetization can be both realized…

材料科学 · 物理学 2019-06-13 Peng Chen , Bang-Gui Liu

Understanding the mechanisms of magnetoelectric (ME) coupling within multiferroic structures is paramount from a fundamental as well as an applied point of view. We report here that the magnetoelectric properties, as well as the…

We study the magnetoelectric and electrocaloric response of strain-engineered, multiferroic SrMnO$_3$, using a phenomenological Landau theory with all parameters obtained from \emph{first-principles}-based calculations. This allows to make…

材料科学 · 物理学 2020-04-29 Alexander Edström , Claude Ederer

Extrinsic multiferroic hybrid structures consisting of ferromagnetic and ferroelectric layers elastically coupled to each other are promising due to their robust magnetoelectric effects even at room temperature. For a quantitative analysis…

材料科学 · 物理学 2013-01-16 Stephan Gepraegs , Matthias Opel , Sebastian T. B. Goennenwein , Rudolf Gross

We calculate the temperature-dependent magnetoelectric response of Cr2O3 from first principles. The form of the dominant magnetoelectric coupling is determined using symmetry arguments, its strength is found using ab initio methods, and the…

材料科学 · 物理学 2025-06-10 Maxim Mostovoy , Andrea Scaramucci , Kris T. Delaney , Nicola A. Spaldin

Multifunctional oxides are promising materials because of their fundamental physical properties as well as their potential in applications1. Among these materials, multiferroics exhibiting ferroelectricity and magnetism are good candidates…

材料科学 · 物理学 2010-11-16 B. Kundys , M. Viret , D. Colson , D. O. Kundys

In order to establish the correlation between the magnetoelectric coupling and magnetic instability, we have studied the structural, magnetic, and ferroelectric properties of \textit{x}BaTiO${_3}$-(1-\textit{x})BiCoO${_3}$ as a function of…

材料科学 · 物理学 2019-02-14 Lokanath Patra , Zhao Pan , Jun Chen , Masaki Azuma , P. Ravindran

We propose that the magnetoelectric effect in multiferroic insulators with coplanar antiferromagnetic spiral order, such as BiFeO$_{3}$, enables electrically controlled dissipationless magnonics. Applying an oscillating electric field in…

介观与纳米尺度物理 · 物理学 2015-04-20 Wei Chen , Manfred Sigrist

We present a theoretical examination of the magneto-electric response in the recently discovered multiferroic insulator Cu$_2$OSeO$_3$. Combining Monte Carlo simulation and Ginzburg-Landau analysis we predict the response in each of the…

强关联电子 · 物理学 2013-10-22 Ye-Hua Liu , Jung Hoon Han , A. A. Omrani , H. M. Rønnow , You-Quan Li

Magnetoelectric (ME) materials are of fundamental interest and have been investigated for their broad potential for technological applications. The search for, and eventually the theoretical design of, materials with large ME couplings…

材料科学 · 物理学 2014-02-06 Meng Ye , David Vanderbilt

The magneto-electrocaloric effect which can be defined as the coupling between magnetocaloric and electrocaloric effects attracts currently considerable attention due to the advantages provided by the caloric effect in designing solid-state…

We report the magnetic diffraction pattern and spin wave excitations in (CD$_3$)$_2$ND$_2$[Mn(DCO$_2$)$_3$] measured using elastic and inelastic neutron scattering. The magnetic structure is shown to be a G-type antiferromagnet with moments…

强关联电子 · 物理学 2017-10-02 H. C. Walker , H. D. Duncan , M. D. Le , D. A. Keen , D. J. Voneshen , A. E. Phillips

Apart from being so far the only known binary multiferroic compound, CuO has a much higher transition temperature into the multiferroic state, 230 K, than any other known material in which the electric polarization is induced by spontaneous…

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