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Using a combination of Density Functional Theory, mean-field analysis and exact diagonalization calculations we reveal the emergence of a dimerized charge ordered state in TMTTF$_2$-PF$_6$ organic crystal. The interplay between charge and…

Strongly Correlated Electrons · Physics 2015-03-19 Gianluca Giovannetti , Sanjeev Kumar , Jean-Paul Pouget , Massimo Capone

We show by means of ab-initio calculations that the organic molecular crystal TTF-CA is multiferroic: it has an instability to develop spontaneously both ferroelectric and magnetic ordering. Ferroelectricity is driven by a Peierls…

Large electron-electron Coulomb-interactions in correlated systems can lead to a periodic arrangement of localized electrons, the so called "charge-order". The latter is here proposed as a driving force behind ferroelectricity in iron…

Materials Science · Physics 2015-05-14 Kunihiko Yamauchi , Silvia Picozzi

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…

Materials Science · Physics 2009-11-11 Joseph J. Betouras , Gianluca Giovannetti , Jeroen van den Brink

Within the broad class of multiferroics (compounds showing a coexistence of magnetism and ferroelectricity), we focus on the subclass of "improper electronic ferroelectrics", i.e. correlated materials where electronic degrees of freedom…

Materials Science · Physics 2012-07-26 Silvia Picozzi , Alessandro Stroppa

By applying measurements of the dielectric constants and relative length changes to the dimerized molecular conductor $\kappa$-(BEDT-TTF)$_2$Hg(SCN)$_2$Cl, we provide evidence for order-disorder type electronic ferroelectricity which is…

We report electric polarization and magnetization measurements in single crystals of double perovskite Lu2MnCoO6 using pulsed magnetic fields and optical second harmonic generation (SHG) in DC magnetic fields. we observe well-resolved…

Materials Science · Physics 2016-06-22 S. Chikara , J. Singleton , J. Bowlan , D. A. Yarotski , N. Lee , H. Y. Choi , Y. J. Choi , V. S. Zapf

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…

Based on ab initio density functional theory, we have investigated a microscopic mechanism that leads to Fe$^{2+}_{B}$/Fe$^{3+}_{B}$ dimerization and consequent ferroelectricity in charge ordered Fe$_{3}$O$_{4}$ with $P2$ symmetry. In…

Materials Science · Physics 2009-12-15 Tetsuya Fukushima , Kunihiko Yamauchi , Silvia Picozzi

We show that electronic correlations decimate the intrinsic ferroelectric polarization of the recently discovered class of multiferroic manganites RMn$_2$O$_5$, where R is a rare earth element. Such is manifest from {\it ab initio}…

Materials Science · Physics 2009-11-13 Gianluca Giovannetti , Jeroen van den Brink

In multiferroic TbMn$_2$O$_5$, the behavior of the terbium ions forms a crucial part of the magneto-electric coupling. The result is a magnetically induced reversal of the electric polarization at 2 T. In this article we present the first…

Strongly Correlated Electrons · Physics 2011-06-27 R. D. Johnson , C. Mazzoli , S. R. Bland , C-H. Du , P. D. Hatton

The spin-driven component of electric polarization in a single crystal of multiferroic BiFeO$_{3}$ was experimentally investigated in pulsed high magnetic fields up to 41 T. Sequential measurements of electric polarization for various…

Strongly Correlated Electrons · Physics 2020-01-08 Shiro Kawachi , Shin Miyahara , Toshimitsu Ito , Atsushi Miyake , Nobuo Furukawa , Jun-ichi Yamaura , Masashi Tokunaga

The coupling between magnetic order and ferroelectricity has been under intense investigation in a wide range of transition-metal oxides. The strongest coupling is obtained in so-called magnetically-induced multiferroics where…

Materials Science · Physics 2015-05-13 V. S. Zapf , M. Kenzelmann , F. Wolff-Fabris , F. Balakirev , Y. Chen

Using density functional theory, we determine parameters of tight-binding Hamiltonians for a variety of Fabre charge transfer salts, focusing in particular on the effects of temperature and pressure. Besides relying on previously published…

Strongly Correlated Electrons · Physics 2013-04-25 A. C. Jacko , H. Feldner , E. Rose , F. Lissner , M. Dressel , Roser Valentí , Harald O. Jeschke

Multiferroic CuFe1-xAlxO2 (x=0.02) exhibits a ferroelectric ordering accompanied by a proper helical magnetic ordering below T=7K under zero magnetic field. By polarized neutron diffraction and pyroelectric measurements, we have revealed a…

Strongly Correlated Electrons · Physics 2008-03-31 T. Nakajima , S. Mitsuda , S. Kanetsuki , K. Tanaka , K. Fujii , N. Terada , M. Soda , M. Matsuura , K. Hirota

We present a phenomenological model for magnetoelectricity in multiferroic materials. The distinctive feature of the model is a two-component complex order parameter that encodes the electric polarization, along with a direct coupling…

Materials Science · Physics 2024-04-11 Pei Wang , You-Quan Li

The ground state structural, electronic and magnetic properties of multiferroic TbMn$_2$O$_5$ are investigated via first-principles calculations. We show that the ferroelectricity in TbMn$_2$O$_5$ is driven by the non-centrosymmetric…

Materials Science · Physics 2009-11-13 Chenjie Wang , Guang-Can Guo , Lixin He

We report multiferroic behavior in double perovskite Y2CoMnO6 with ferroelectric transition temperature Tc = 80K. The origin of ferroelectricity is associated with magnetic ordering of Co2+ and Mn4+ moments in a up-up-down-down arrangement.…

Materials Science · Physics 2015-06-15 G. Sharma , J. Saha , S. Patnaik

We theoretically investigate the interplay between charge ordering and magnetic states in quasi-one-dimensional molecular conductors TMTTF$_2X$, motivated by the observation of a complex variation of competing and/or coexisting phases. We…

Strongly Correlated Electrons · Physics 2012-03-26 Kazuyoshi Yoshimi , Hitoshi Seo , Shoji Ishibashi , Stuart E. Brown

Metal-organic frameworks comprehend a wide class of hybrid organic-inorganic materials with general structure A$_m$BX$_n$, with $A$ and $X$ being organic molecules and B a metal cation. This often results in enhanced structural flexibility…

Materials Science · Physics 2022-04-21 Francesco Foggetti , Alessandro Stroppa , Sergey Artyukhin
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