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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

We studied the microscopic mechanism of multiferroics, in particular with the "spin current" model (Hosho Katsura, Naoto Nagaosa and Aleander V. Balatsky, Phys. Rev. Lett. 95, 057205 (2005)). Starting from a system with helical spin…

强关联电子 · 物理学 2009-11-13 C. D. Hu

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

Ab initio calculations show that the coupling between antiferrodistortive(AFD) distortions and magnetization in perovskite Bi2FeMnO6 is prohibited to make magnetization rotate as on-site Coulomb interaction($U$) is larger than 2.7 eV, where…

材料科学 · 物理学 2012-12-19 Hong-Jian Feng

Using a first-principles-based effective Hamiltonians within molecular dynamics simulations, we discover that applying an electric field that is opposite to the initial direction of the polarization results in a switching of both the…

With the perovskite multiferroic RMnO3 (R = Gd, Tb, Dy) as guidance, we argue that the Dzyaloshinskii-Moriya interaction (DMI) provides the microscopic mechanism for the coexistence and strong coupling between ferroelectricity and…

强关联电子 · 物理学 2007-05-23 I. A. Sergienko , E. Dagotto

We performed magnetic and ferroelectric measurements, associated with Landau theory and symmetry analysis, in order to clarify the situation of the YMnO3 system, a classical example of type I multiferroics. We found that the only magnetic…

$Ab$ $initio$ calculations show the presence of a strong magnetoelectric interfacial coupling in CaMnO$_3$ ultra-thin film grown on a strained BaTiO$_3$ ferroelectric film. This heterostructure presents a polarization driven magnetic…

材料科学 · 物理学 2025-04-23 S. Di Napoli , A. Román , A. M. Llois , M. H. Aguirre , L. B. Steren , M. A. Barral

By performing accurate ab-initio density functional theory calculations, we study the role of $4f$ electrons in stabilizing the magnetic-field-induced ferroelectric state of DyFeO$_{3}$. We confirm that the ferroelectric polarization is…

材料科学 · 物理学 2015-05-14 Alessandro Stroppa , Martijn Marsman , Georg Kresse , Silvia Picozzi

Vector-chiral (VC) antiferromagnetism is a spiral-like ordering of spins which may allow ferroelectricity to occur due to loss of space inversion symmetry. In this paper we report direct experimental observation of ferroelectricity in the…

Our results describe an unprecedented example of change in the mechanism of magnetically-induced electric polarization from spin current to spin-dependent p-d hybridization model. We have followed the evolution of the magnetic structures of…

BiFeO3 is a model multiferroic in which the ferroelectric polarization is coupled to ferroelastic lattice distortions, yet deterministic control of its domain structure remains limited by high switching fields and competing polarization…

We have proposed the polarization rotation theory to understand the underlying physics of the large piezoelectric effect in ferroelectric crystals by referring to the coherent rotation model in ferromagnetism. When both the electric field…

材料科学 · 物理学 2015-06-05 Hui Zhang

The present paper proposes the direct calculation of the microscopic contributions to the magneto-electric coupling, using ab initio methods. The electrostrictive and the Dzyaloshinskii-Moriya contributions were evaluated individually. For…

强关联电子 · 物理学 2015-06-17 J. Varignon , S. Petit , A. Gellé , M. -B. Lepetit

We use molecular dynamics simulations to understand the mechanisms of polarization switching in ferroelectric BaTiO$_3$ achieved with external electric field. For tetragonal and orthorhombic ferroelectric phases, we determine the switching…

材料科学 · 物理学 2009-11-13 Jaita Paul , Takeshi Nishimatsu , Yoshiyuki Kawazoe , Umesh V. Waghmare

Magnetism - the spontaneous alignment of atomic moments in a material - is driven by quantum-mechanical `exchange' interactions which operate over atomic distances as a result of the fundamental symmetry of electrons. Currently, one of the…

We study in this paper effects of Dzyaloshinskii-Moriya (DM) magnetoelectric coupling between ferroelectric and magnetic layers in a superlattice formed by alternate magnetic and ferroelectric films.Magnetic films are films of simple cubic…

强关联电子 · 物理学 2019-06-19 Ildus F. Sharafullin , M. Kh. Kharrasov , Hung The Diep

Antiferromagnetic materials present us with rich and exciting physics, which we can exploit to open new avenues in spintronic device applications. We explore perpendicularly magnetized exchange biased systems of Pt/Co/IrMn and Pt/Co/FeMn,…

介观与纳米尺度物理 · 物理学 2018-08-22 Risalat A. Khan , Hans T. Nembach , Mannan Ali , Justin M. Shaw , Christopher H. Marrows , Thomas A. Moore

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 present an overview of the microscopic theory of the Dzyaloshinskii-Moriya (DM) coupling and related exchange-relativistic effects such as exchange anisotropy, electron-nuclear antisymmetric supertransferred hyperfine interactions,…

强关联电子 · 物理学 2021-09-14 A. S. Moskvin