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The structural instabilities of ATcO$_3$(A= Ca, Sr, Ba) are investigated by first-principles calculations. In addiction to the large octahedral rotation instability, a weak ferroelectric tendency is identified in CaTcO$_3$. We show that the…

Materials Science · Physics 2013-06-17 Hongwei Wang , Lixin He , Xifan Wu

The novel ferroelectric-like structural transition observed in metallic LiOsO$_3$ [Y. Shi et al., Nat. Mater. 12, 1024 (2013)], has invoked many theoretical and experimental interests. In this work, we have performed polarized and…

Materials Science · Physics 2017-03-09 Feng Jin , Anmin Zhang , Jianting Ji , Kai Liu , Le Wang , Youguo Shi , Yong Tian , Xiaoli Ma , Qingming Zhang

Magnetic, dielectric and calorimetric studies on 0.9BiFeO3-0.1BaTiO3 indicate strong magnetoelectric coupling. XRD studies reveal a very remarkable change in the rhombohedral distortion angle and a significant shift in the atomic positions…

Materials Science · Physics 2009-11-13 Anar Singh , Vibhav Pandey , R. K. Kotnala , Dhananjai Pandey

Several M3 TeO6 (M = Mn, Co, Ni, Cu) oxides order antiferromagnetically at low temperatures (near or below 60 K), while displaying interesting dielectric properties at high temperatures (ferroelectricity below 1000 K in M = Ni case). We…

Strongly Correlated Electrons · Physics 2013-08-27 R. Mathieu , S. A. Ivanov , P. Nordblad , M. Weil

The microstructure and phase transition in relaxor ferroelectric Pb(Mg1/3Nb2/3)O3 (PMN) and its solid solution with PbTiO3 (PT), PMN-xPT, remain to be one of the most puzzling issues of solid state science. In the present work we have…

Materials Science · Physics 2009-11-07 Z. -G. Ye , Y. Bing , J. Gao , A. A. Bokov , P. Stephens , B. Noheda , G. Shirane

We have investigated magnetoelastic effects in multiferroic YMnO$_3$ below the antiferromagnetic phase transition, $T_N \approx 70$ K, using neutron powder diffraction. The $a$ lattice parameter of the hexagonal unit cell of YMnO$_3$…

Strongly Correlated Electrons · Physics 2012-12-24 Tapan Chatterji , Bachir Ouladdiaf , Paul F. Henry , Dipten Bhattacharya

We present a thorough $^{77}$Se NMR study of a single crystal of the magnetoelectric compound Cu$_2$OSeO$_3$. The temperature dependence of the local electronic moments extracted from the NMR data is fully consistent with a magnetic phase…

Strongly Correlated Electrons · Physics 2010-09-17 M. Belesi , I. Rousochatzakis , H. C. Wu , H. Berger , I. V. Shvets , F. Mila , J. P. Ansermet

We investigated the electronic structure of multiferroic hexagonal RMnO3 (R = Gd, Tb, Dy, and Ho) thin films using both optical spectroscopy and first-principles calculations. Using artificially stabilized hexagonal RMnO3, we extended the…

Strongly Correlated Electrons · Physics 2010-05-17 W. S. Choi , D. G. Kim , S. S. A. Seo , S. J. Moon , D. Lee , J. H. Lee , H. S. Lee , D. -Y. Cho , Y. S. Lee , P. Murugavel , Jaejun Yu , T. W. Noh

The magnetoelectric coupling, i.e., cross-correlation between electric and magnetic orders, is a very desirable property to combine functionalities of materials for next-generation switchable devices. Multiferroics with spin-driven…

Strongly Correlated Electrons · Physics 2019-01-07 Ian Aupiais , Masahito Mochizuki , Hideaki Sakata , Romain Grasset , Yann Gallais , Alain Sacuto , Maximilien Cazayous

Low-dimensional ferroelectricity and polar materials have attracted considerable attentions for their fascinating physics and potential applications. Based on first-principles calculations, here we investigate the stacking modes and polar…

Materials Science · Physics 2022-10-12 Wencong Sun , Ning Ding , Jun Chen , Hai-Peng You , Jin Peng , Shan-Shan Wang , Shuai Dong

We report evidence that the experimentally found antiferromagnetic structure as well as the semiconducting ground state of BaMn$_2$As$_2$ are caused by optimally-localized Wannier states of special symmetry existing at the Fermi level of…

Strongly Correlated Electrons · Physics 2016-09-29 Ekkehard Krüger

Ab initio calculations show an antiferromagnetic-ferromagnetic phase transition around 9-10 GPa and a magnetic anomaly at 12 GPa in BiFeO3. The magnetic phase transition also involves a structural and insulator-metal transition. The G-type…

Materials Science · Physics 2012-12-20 Hong-Jian Feng

The phase diagram of the quasi-two-dimensional easy-plane antiferromagnetic model, with a magnetic field applied in the easy plane, is studied using the self-consistent harmonic approximation. We found a linear dependence of the transition…

Statistical Mechanics · Physics 2010-10-22 A. S. T. Pires , B. V. Costa , R. A. Dias

Several experiments conducted over decades have revealed that the perovskite-structured BaCeO3 goes through a series of temperature-induced structural phase transitions. However, it has been frequently observed that the number of phases and…

We present our studies on polycrystalline samples of fluorine doped LaMnO3 (LaMnO3-yFy). LaMnO2.5F0.5 exhibits remarkable magnetic and electrical properties. It shows ferromagnetic and metallic behavior with a high Curie temperature of ~…

Strongly Correlated Electrons · Physics 2023-07-12 Ekta Yadav , Pramod Ghising , K. P. Rajeev , Z. Hossain

We provide a detailed study of the reflectivity of multiferroic TbMnO_3 for wave numbers from 40 cm^{-1} to 1000 cm^{-1} and temperatures 5 K < T < 300 K. Excitations are studied for polarization directions E || a, the polarization where…

Strongly Correlated Electrons · Physics 2010-01-22 M. Schmidt , Ch. Kant , T. Rudolf , F. Mayr , A. A. Mukhin , A. M. Balbashov , J. Deisenhofer , A. Loidl

Experimental and theoretical studies of unusual polar, dielectric and magnetic properties of room temperature multiferroics, such as perovskites Pb(Fe$_{1/2}$Nb$_{1/2}$)O$_3$ (PFN) and Pb(Fe$_{1/2}$Ta$_{1/2}$)O$_3$ (PFT), are very…

By combining dielectric, specific heat, and magnetization measurements and high-resolution neutron powder diffraction, we have investigated the thermodynamic and magnetic/structural properties of the metastable orthorhombic perovskite…

Strongly Correlated Electrons · Physics 2007-08-02 F. Ye , B. Lorenz , Q. Huang , Y. Q. Wang , Y. Y. Sun , C. W. Chu , J. A. Fernandez-Baca , Pengcheng Dai , H. A. Mook

We report observation of surface-defect-induced room temperature multiferroicity - surface ferromagnetism ($M_S$ at 50 kOe $\sim$0.005 emu/g), ferroelectricity ($P_R$ $\sim$2 nC/cm$^2$), and significantly large magnetoelectric coupling…

Type-II multiferroics, in which the magnetic order breaks inversion symmetry, are appealing for both fundamental and applied research due their intrinsic coupling between magnetic and electrical orders. Using first-principles calculations…

Materials Science · Physics 2023-11-20 Urmimala Dey , Mark S. Senn , Nicholas C. Bristowe
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