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Using first principle calculations under the framework of density functional theory we have investigated the electronic structure, magnetism and ferroelectric polarization in the triangular lattice antiferromagnet AgFeO2, and its comparison…

Materials Science · Physics 2018-01-03 Jayita Chakraborty , Indra Dasgupta

The electronic valence state of Mn in Pb(Zr0.2Ti0.8)O3/La0.8Sr0.2MnO3 multiferroic heterostructures is probed by near edge x-ray absorption spectroscopy as a function of the ferroelectric polarization. We observe a temperature independent…

Materials Science · Physics 2010-04-13 C. A. F. Vaz , J. Hoffman , Y. Segal , J. W. Reiner , R. D. Grober , Z. Zhang , C. H. Ahn , F. J. Walker

The electronic structure of NaFeAs is studied with angle resolved photoemission spectroscopy on high quality single crystals. Large portions of the band structure start to shift around the structural transition temperature, and smoothly…

The aim of this work is to unravel a basic microscopic picture behind complex magnetic properties of hexagonal manganites. For these purposes, we consider two characteristic compounds: YMnO3 and LuMnO3, which form different magnetic…

Materials Science · Physics 2012-08-10 I. V. Solovyev , M. V. Valentyuk , V. V. Mazurenko

We investigate the origin of the coplanar helicoidal magnetic structure and the ferroelectric polarization in Cu3Nb2O8 by combining first-principles calculations and our spin-induced ferroelectric polarization model. The coplanar helicoidal…

Materials Science · Physics 2012-11-06 Zheng-Lu Li , M. -H. Whangbo , X. G. Gong , H. J. Xiang

Two magnetic ordering transitions are found in InMnO3, the paramagnetic to antiferromagnetic transition near ~118 K and a lower possible spin rotation transition near ~42 K. Multiple length scale structural measurements reveal enhanced…

Materials Science · Physics 2015-06-22 T. Yu , T. A. Tyson , P. Gao , T. Wu , X. Hong , S. Ghose , Y. -S. Chen

Symmetry arguments are used to develop a spin Hamiltonian for the description of the complex magnetic ordering in HoMnO$_3$. Using a novel application of the Landau Lifshitz Gilbert dynamic torque equations to this model of the frustrated…

Strongly Correlated Electrons · Physics 2012-02-13 S. G. Condran , M. L. Plumer

The properties of newly discovered polar ScFeO3 with magnetic ordering are examined using Ab initio calculations and symmetry mode analysis. The GGA+U calculation confirms the stability of polar R3c Phase in ScFeO3 and the pressure induced…

Materials Science · Physics 2016-06-06 Bog G. Kim , M. Toyoda , Janghee Park , Tamio Oguchi

The effects of high magnetic fields applied perpendicular to the spontaneous ferroelectric polarization on single crystals of BiFeO$_3$ were investigated through magnetization, magnetostriction, and neutron diffraction measurements. The…

We derive a spin-orbital model for insulating LaMnO_3 which fulfills the SU(2) symmetry of S=2 spins at Mn^{3+} ions. It includes the complete e_g and t_{2g} superexchange which follows from a realistic Mn^{2+} multiplet structure in cubic…

Strongly Correlated Electrons · Physics 2009-10-31 Louis Felix Feiner , Andrzej M. Oles

We report on the magnetic structure and ordering of hexagonal LuFeO3 films grown by molecular-beam epitaxy (MBE) on YSZ (111) and Al2O3 (0001) substrates. Using a set of complementary probes including neutron diffraction, we find that the…

We investigated the effects of temperature and magnetic field on the electronic structure of hexagonal RMnO3 (R = Gd, Tb, Dy, and Ho) thin films using optical spectroscopy. As the magnetic ordering of the system was disturbed, a systematic…

Strongly Correlated Electrons · Physics 2010-05-17 Woo Seok Choi , Soon Jae Moon , Sung Seok A. Seo , Daesu Lee , Jung Hyuk Lee , Pattukkannu Murugavel , Tae Won Noh , Yun Sang Lee

We report observation of magneto-electric and magneto-dielectric couplings in ceramic Co3TeO6. Temperature dependent DC magnetization and dielectric constant measurements together indicate coupling between magnetic order and electronic…

Materials Science · Physics 2013-09-26 Harishchandra Singh , Haranath Ghosh , A. K. Sinha , M. N. Singh , G. Sharma , S. Patnaik , S. K. Deb

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…

Materials Science · Physics 2007-05-23 P. Ravindran , R. Vidya , A. Kjekshus , H. Fjellvåg , O. Eriksson

We have investigated the magnetic structure and ferroelectricity in RbFe(MoO$_4$)$_2$ via first-principles calculations. Phenomenological analyses have shown that ferroelectricity may arise due to both the triangular chirality of the…

Materials Science · Physics 2015-06-19 Kun Cao , R. D. Johnson , Feliciano Giustino , Paolo G. Radaelli , G-C Guo , Lixin He

Hexagonal LuFeO$_3$ has drawn a lot of research attention due to its contentious room-temperature multiferroicity. Due to the unstability of hexagonal phase in the bulk form, most experimental studies focused on LuFeO$_3$ thin films which…

Materials Science · Physics 2016-03-09 L. Lin , H. M. Zhang , M. F. Liu , Shoudong Shen , S. Zhou , D. Li , X. Wang , Z. B. Yan , Z. D. Zhang , Jun Zhao , Shuai Dong , J. -M. Liu

Cu$_2$OSeO$_3$ is an insulating skyrmion-host material with a magnetoelectric coupling giving rise to an electric polarization with a characteristic dependence on the magnetic field $\vec H$. We report magnetic force microscopy imaging of…

The ground-state structural and electronic properties of ferroelectric BiFeO$_3$ are calculated using density functional theory within the local spin-density approximation and the LSDA+U method. The crystal structure is computed to be…

Materials Science · Physics 2007-05-23 J. B. Neaton , C. Ederer , U. V. Waghmare , N. A. Spaldin , K. M. Rabe

The structural and magnetic anomaly of the layered compound SrFeO$_{2}$ were examined by first principles density functional calculations and Monte Carlo simulations. The down-spin Fe 3$d$ electron occupies the $d_{z^2}$ level rather than…

Materials Science · Physics 2008-04-25 H. J. Xiang , Su-Huai Wei , M. -H. Whangbo

NaFeAs belongs to a class of Fe-based superconductors which parent compounds show separated structural and magnetic transitions. Effects of the structural transition on spin dynamics therefore can be investigated separately from the…

Superconductivity · Physics 2016-05-27 Juanjuan Liu , Jinchen Wang , Wei Luo , Jieming Sheng , Aifeng Wang , Xianhui Chen , Sergey A. Danilkin , Wei Bao
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