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This letter addresses basic questions concerning ferroelectric order in positionally disordered dipolar materials. Three models distinguished by dipole vectors which have one, two or three components are studied by computer simulation.…

Condensed Matter · Physics 2009-10-28 G. Ayton , M. J. P. Gingras , G. N. Patey

In a recent letter [Phys. Rev. Lett. {\bf 75}, 2360 (1996)] we briefly discussed the existence and nature of ferroelectric order in positionally disordered dipolar materials. Here we report further results and give a complete description of…

Disordered Systems and Neural Networks · Physics 2009-10-30 G. Ayton , M. J. P. Gingras , G. N. Patey

We investigate the effect of polar Sr-O vacancy pairs on the electric polarization of SrMnO$_3$ (SMO) thin films using density functional theory (DFT) calculations. This is motivated by indications that ferroelectricity in complex oxides…

Materials Science · Physics 2021-05-21 Chiara Ricca , Danielle Berkowitz , Ulrich Aschauer

Electric polarization in conventional ferroelectric oxides usually involves nonmagnetic transition-metal ions with an empty d shell (the d$^0$ rule). Here we unravel a new mechanism for local electric dipoles based on magnetic Fe$^{3+}$…

Strongly Correlated Electrons · Physics 2015-07-07 Shi-Peng Shen , Yi-Sheng Chai , Jun-Zhuang Cong , Pei-Jie Sun , Jun Lu , Li-Qin Yan , Shou-Guo Wang , Young Sun

We report the experimental determination of the structure and response to applied electric field of the lower-temperature nematic phase of the previously reported calamitic compound 4-[(4-nitrophenoxy)carbonyl]phenyl2,4-dimethoxybenzoate…

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…

Materials Science · Physics 2015-05-13 Kunihiko Yamauchi , Tetsuya Fukushima , Silvia Picozzi

We show that surface interactions can vectorially structure the three-dimensional polariza-tion field of a ferroelectric fluid. The contact between a ferroelectric nematic liquid crystal and a surface with in-plane polarity generates a…

Soft Condensed Matter · Physics 2024-01-19 Xi Chen , Eva Korblova , Matthew A. Glaser , Joseph E. Maclennan , David M. Walba , Noel A. Clark

Ferroelectricity has been found to occur in several insulating systems, such as TbMnO$_3$ (TMO) and Ni$_3$V$_2$O$_8$ (NVO) which have more than one phase with incommensurately modulated long-range magnetic order. Here we give a…

Materials Science · Physics 2009-11-11 A. Brooks Harris

Magnetoelectric coupling in the polycrystalline antiferromagnets CuFe0.95Rh0.05O2 and CuFeO2 has been investigated. For both samples, electric polarization was observed in the absence of an applied external magnetic field demonstrating that…

Materials Science · Physics 2009-05-27 B. Kundys , A. Maignan , D. Pelloquin , Ch. Simon

Liquid crystal materials exhibiting up to three nematic phases are reported. Dielectric response measurements show that while the lower temperature nematic phase has ferroelectric order and the highest temperature nematic phase is apolar,…

Soft Condensed Matter · Physics 2021-09-07 S. Brown , E. Cruickshank , J. M. D. Storey , C. T. Imrie , D. Pociecha , M. Majewska , A. Makal , E. Gorecka

Magnetoelectric phenomena are intimately linked to relativistic effects and also require the material to break spatial inversion symmetry and time reversal invariance. Magnetoelectric coupling can substantially affect light-matter…

We have investigated the magnetic and dielectric properties of orthorhombic Eu$_{1-y}$Y$_y$MnO$_3$ ($0\leq y\leq 0.6$) single crystals without the presence of the 4$f$ magnetic moments of the rare-earth ions. In $y\geq 0.2$, the…

Strongly Correlated Electrons · Physics 2015-05-28 Mitsuru Akaki , Masaaki Hitomi , Mizuaki Ehara , Daisuke Akahoshi , Hideki Kuwahara

Using molecular dynamics simulation, we study dipolar glass in crystals composed of slightly spheroidal, polar particles and spherical, apolar impurities between metal walls. We present physical pictures of ferroelectric glass, which have…

Soft Condensed Matter · Physics 2017-03-27 Kyohei Takae , Akira Onuki

Ferroelectric nematic liquid crystals are formed by achiral molecules with large dipole moments. Its three-dimensional orientational order is universally described as unidirectionally polar. We demonstrate that the ground state of…

Soft Condensed Matter · Physics 2024-04-01 Priyanka Kumari , Bijaya Basnet , Maxim O. Lavrentovich , Oleg D. Lavrentovich

AgNbO$_3$ is a lead-free perovskite with considerable potential for energy storage and optoelectronic applications, yet its low-temperature crystal structure has remained controversial. In this Letter, we revisit its low-energy structural…

Materials Science · Physics 2026-02-24 Ying Song , Lingzhi Cao , Jinming Zhai , Zhilong Yang , Yali Yang , Laurent Bellaiche , Jiangang He

Based on Monte-Carlo simulations, the stable magnetization configurations of an antiferromagnet on a quasiperiodic tiling are derived theoretically. The exchange coupling is assumed to decrease exponentially with the distance between…

Disordered Systems and Neural Networks · Physics 2007-05-23 E. Y. Vedmedenko , U. Grimm , R. Wiesendanger

We present a study based on several advanced First-Principles methods, of the recently synthesized PbNiO3 [J. Am. Chem. Soc 133, 16920 (2011)], a rhombohedral antiferromagnetic insulator which crystallizes in the highly distorted R3c…

Strongly Correlated Electrons · Physics 2015-06-05 X. F. Hao , A. Stroppa , S. Picozzi , A. Filippetti , C. Franchini

We study the electrical behavior of multiferroic BiFeO$_3$ by means of first-principles calculations. We do so by constraining a specific component of the electric displacement field along a variety of structural paths, and by monitoring…

Materials Science · Physics 2016-01-20 Massimiliano Stengel , Jorge Íñiguez

Electronic electro-optic (EEO) phase modulation is a key emerging technology for the chip-scale inter-conversion of signals between the electronic and photonic domains. The recent discovery of the ferroelectric nematic ($N_F$) liquid…

Recent interests towards novel functionalities arising at domain walls of ferroic materials naturally call for a microscopic understanding. To this end, first-principles calculations have been performed in order to provide solid evidence of…

Materials Science · Physics 2014-04-09 Paolo Barone , Domenico Di Sante , Silvia Picozzi
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