Improper ferroelectricity at antiferromagnetic domain walls of perovskite oxides

Yang, Yali; Xiang, Hongjun; Zhao, Hongjian; Stroppa, Alessandro; Zhang, Jincang; Cao, Shixun; Íñiguez, Jorge; Bellaiche, L.; Ren, Wei

doi:10.1103/PhysRevB.96.104431

Title: Improper ferroelectricity at antiferromagnetic domain walls of perovskite oxides

Authors:: Yang, Yali; Xiang, Hongjun; Zhao, Hongjian; Stroppa, Alessandro; Zhang, Jincang; Cao, Shixun; Íñiguez, Jorge; Bellaiche, L.; Ren, Wei

Publication Date:: Fri Sep 22 00:00:00 EDT 2017

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1394024

Grant/Contract Number:: ER-46612

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Name: Physical Review B Journal Volume: 96 Journal Issue: 10; Journal ID: ISSN 2469-9950

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Yang, Yali, Xiang, Hongjun, Zhao, Hongjian, Stroppa, Alessandro, Zhang, Jincang, Cao, Shixun, Íñiguez, Jorge, Bellaiche, L., and Ren, Wei. Improper ferroelectricity at antiferromagnetic domain walls of perovskite oxides.  United States: N. p., 2017. 
Web.  doi:10.1103/PhysRevB.96.104431.

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                    Yang, Yali, Xiang, Hongjun, Zhao, Hongjian, Stroppa, Alessandro, Zhang, Jincang, Cao, Shixun, Íñiguez, Jorge, Bellaiche, L., & Ren, Wei. Improper ferroelectricity at antiferromagnetic domain walls of perovskite oxides.  United States.  https://doi.org/10.1103/PhysRevB.96.104431

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                    Yang, Yali, Xiang, Hongjun, Zhao, Hongjian, Stroppa, Alessandro, Zhang, Jincang, Cao, Shixun, Íñiguez, Jorge, Bellaiche, L., and Ren, Wei. Fri .  
"Improper ferroelectricity at antiferromagnetic domain walls of perovskite oxides".  United States.  https://doi.org/10.1103/PhysRevB.96.104431.

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@article{osti_1394024,

  title        = {Improper ferroelectricity at antiferromagnetic domain walls of perovskite oxides},

  author       = {Yang, Yali and Xiang, Hongjun and Zhao, Hongjian and Stroppa, Alessandro and Zhang, Jincang and Cao, Shixun and Íñiguez, Jorge and Bellaiche, L. and Ren, Wei},

  abstractNote = {},

  doi          = {10.1103/PhysRevB.96.104431},

  journal      = {Physical Review B},

  number       = 10,

  volume       = 96,

  place        = {United States},

  year         = {Fri Sep 22 00:00:00 EDT 2017},

  month        = {Fri Sep 22 00:00:00 EDT 2017}

}

Copy to clipboard

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Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
DOI: 10.1103/PhysRevLett.77.3865

Intrinsic defects in multiferroic BiFeO $_{3}$ and their effect on magnetism
journal, March 2012

Paudel, Tula R.; Jaswal, Sitaram S.; Tsymbal, Evgeny Y.
Physical Review B, Vol. 85, Issue 10
DOI: 10.1103/PhysRevB.85.104409

Ising Magnetism and Ferroelectricity in ${Ca}_{3} {CoMnO}_{6}$
journal, January 2009

Wu, Hua; Burnus, T.; Hu, Z.
Physical Review Letters, Vol. 102, Issue 2
DOI: 10.1103/PhysRevLett.102.026404

Dual Nature of Improper Ferroelectricity in a Magnetoelectric Multiferroic
journal, November 2007

Picozzi, S.; Yamauchi, K.; Sanyal, B.
Physical Review Letters, Vol. 99, Issue 22
DOI: 10.1103/PhysRevLett.99.227201

Magnetoelectric effects via pentalinear interactions
journal, December 2015

Zhao, Hong Jian; Grisolia, M. N.; Yang, Yurong
Physical Review B, Vol. 92, Issue 23
DOI: 10.1103/PhysRevB.92.235133

An X-ray study of the trimetallic LaxSm1−xFeO3 orthoferrites
journal, June 2001

Sangaletti, Luigi; Depero, Laura E.; Allieri, Brigida
Journal of the European Ceramic Society, Vol. 21, Issue 6
DOI: 10.1016/S0955-2219(00)00267-3

Complex domain walls in ${BiFeO}_{3}$
journal, February 2015

Gareeva, Zukhra; Diéguez, Oswaldo; Íñiguez, Jorge
Physical Review B, Vol. 91, Issue 6
DOI: 10.1103/PhysRevB.91.060404

Why Are There so Few Magnetic Ferroelectrics?
journal, July 2000

Hill, Nicola A.
The Journal of Physical Chemistry B, Vol. 104, Issue 29
DOI: 10.1021/jp000114x

${CaCrO}_{3}$ : An Anomalous Antiferromagnetic Metallic Oxide
journal, October 2008

Komarek, A. C.; Streltsov, S. V.; Isobe, M.
Physical Review Letters, Vol. 101, Issue 16
DOI: 10.1103/PhysRevLett.101.167204

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Kresse, G.; Joubert, D.
Physical Review B, Vol. 59, Issue 3, p. 1758-1775
DOI: 10.1103/PhysRevB.59.1758

VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
journal, October 2011

Momma, Koichi; Izumi, Fujio
Journal of Applied Crystallography, Vol. 44, Issue 6
DOI: 10.1107/S0021889811038970

Creating multiferroics with large tunable electrical polarization from paraelectric rare-earth orthoferrites
journal, October 2014

Zhao, Hong Jian; Yang, Yurong; Ren, Wei
Journal of Physics: Condensed Matter, Vol. 26, Issue 47
DOI: 10.1088/0953-8984/26/47/472201

Retracted Article: First-principle investigations of structural, electronic, magnetic and optical properties of bulk BiVO ₃
journal, January 2016

Liu, Biao; Wu, Li-Juan; Zhao, Yu-Qing
RSC Advances, Vol. 6, Issue 95
DOI: 10.1039/C6RA17053F

First-principles calculations of the electronic structure and spectra of strongly correlated systems: the LDA + U method
journal, January 1997

Anisimov, Vladimir I.; Aryasetiawan, F.; Lichtenstein, A. I.
Journal of Physics: Condensed Matter, Vol. 9, Issue 4, p. 767-808
DOI: 10.1088/0953-8984/9/4/002

Neutron Diffraction Study of the Magnetic Properties of the Series of Perovskite-Type Compounds $[(1 - x) La, x Ca] Mn O_{3}$
journal, October 1955

Wollan, E. O.; Koehler, W. C.
Physical Review, Vol. 100, Issue 2
DOI: 10.1103/PhysRev.100.545

Giant Ferroelectric Polarization of ${CaMn}_{7} O_{12}$ Induced by a Combined Effect of Dzyaloshinskii-Moriya Interaction and Exchange Striction
journal, May 2012

Lu, X. Z.; Whangbo, M. -H.; Dong, Shuai
Physical Review Letters, Vol. 108, Issue 18
DOI: 10.1103/PhysRevLett.108.187204

Weak ferromagnetism and magnetoelectric coupling in bismuth ferrite
journal, February 2005

Ederer, Claude; Spaldin, Nicola A.
Physical Review B, Vol. 71, Issue 6
DOI: 10.1103/PhysRevB.71.060401

General Theory for the Ferroelectric Polarization Induced by Spin-Spiral Order
journal, October 2011

Xiang, H. J.; Kan, E. J.; Zhang, Y.
Physical Review Letters, Vol. 107, Issue 15
DOI: 10.1103/PhysRevLett.107.157202

Theory of polarization of crystalline solids
journal, January 1993

King-Smith, R. D.; Vanderbilt, David
Physical Review B, Vol. 47, Issue 3
DOI: 10.1103/PhysRevB.47.1651

Correcting density functional theory for accurate predictions of compound enthalpies of formation: Fitted elemental-phase reference energies
journal, March 2012

Stevanović, Vladan; Lany, Stephan; Zhang, Xiuwen
Physical Review B, Vol. 85, Issue 11
DOI: 10.1103/PhysRevB.85.115104

Temperature induced Spin Switching in SmFeO3 Single Crystal
journal, August 2014

Cao, Shixun; Zhao, Huazhi; Kang, Baojuan
Scientific Reports, Vol. 4, Issue 1
DOI: 10.1038/srep05960

Unified model of ferroelectricity induced by spin order
journal, August 2013

Xiang, H. J.; Wang, P. S.; Whangbo, M. -H.
Physical Review B, Vol. 88, Issue 5
DOI: 10.1103/PhysRevB.88.054404

Improper ferroelectrics [Несобственные сегнетоэлектрики]
journal, January 1974

Levanyuk, A. P.; Sannikov, D. G.
Uspekhi Fizicheskih Nauk, Vol. 112, Issue 4
DOI: 10.3367/UFNr.0112.197404a.0561

The ferroelectric polarization of Y ₂ CoMnO ₆ aligns along the b-axis: the first-principles calculations
journal, January 2015

Ma, C. Y.; Dong, S.; Zhou, P. X.
Physical Chemistry Chemical Physics, Vol. 17, Issue 32
DOI: 10.1039/C5CP02501J

Impact of oxygen doping and oxidation state of iron on the electronic and magnetic properties of ${BaFeO}_{3 - δ}$
journal, January 2016

Maznichenko, I. V.; Ostanin, S.; Bekenov, L. V.
Physical Review B, Vol. 93, Issue 2
DOI: 10.1103/PhysRevB.93.024411

Epitaxial BiFeO₃ Multiferroic Thin Film Heterostructures
journal, March 2003

Wang, J.; Neaton, J. B.; Zheng, H.
Science, Vol. 299, Issue 5613, p. 1719-1722
DOI: 10.1126/science.1080615

Predicting a Ferrimagnetic Phase of ${Zn}_{2} {FeOsO}_{6}$ with Strong Magnetoelectric Coupling
journal, April 2015

Wang, P. S.; Ren, W.; Bellaiche, L.
Physical Review Letters, Vol. 114, Issue 14
DOI: 10.1103/PhysRevLett.114.147204

Multiferroic behavior in the double-perovskite Lu $_{2}$ MnCoO $_{6}$
journal, October 2011

Yáñez-Vilar, S.; Mun, E. D.; Zapf, V. S.
Physical Review B, Vol. 84, Issue 13
DOI: 10.1103/PhysRevB.84.134427

Magnetic control of ferroelectric polarization
journal, November 2003

Kimura, T.; Goto, T.; Shintani, H.
Nature, Vol. 426, Issue 6962
DOI: 10.1038/nature02018

Spin-Canting-Induced Improper Ferroelectricity and Spontaneous Magnetization Reversal in $SmFe O_{3}$
journal, September 2011

Lee, Jung-Hoon; Jeong, Young Kyu; Park, Jung Hwan
Physical Review Letters, Vol. 107, Issue 11
DOI: 10.1103/PhysRevLett.107.117201

Universal collaborative couplings between oxygen-octahedral rotations and antiferroelectric distortions in perovskites
journal, July 2013

Bellaiche, L.; Íñiguez, Jorge
Physical Review B, Vol. 88, Issue 1
DOI: 10.1103/PhysRevB.88.014104

Effect of chemical and hydrostatic pressures on structural and magnetic properties of rare-earth orthoferrites: a first-principles study
journal, October 2013

Zhao, Hong Jian; Ren, Wei; Yang, Yurong
Journal of Physics: Condensed Matter, Vol. 25, Issue 46
DOI: 10.1088/0953-8984/25/46/466002

Advances in ab-initio theory of multiferroics: Materials and mechanisms: modelling and understanding
journal, July 2012

Picozzi, S.; Stroppa, A.
The European Physical Journal B, Vol. 85, Issue 7
DOI: 10.1140/epjb/e2012-30124-1

Pressure-Induced Multiferroics via Pseudo Jahn-Teller Effects and Novel Couplings
journal, December 2016

Xu, Changsong; Li, Yang; Xu, Bin
Advanced Functional Materials, Vol. 27, Issue 3
DOI: 10.1002/adfm.201604513

Possible Species of Ferromagnetic, Ferroelectric, and Ferroelastic Crystals
journal, August 1970

Aizu, Kêitsiro
Physical Review B, Vol. 2, Issue 3
DOI: 10.1103/PhysRevB.2.754

FINDSYM : program for identifying the space-group symmetry of a crystal
journal, January 2005

Stokes, Harold T.; Hatch, Dorian M.
Journal of Applied Crystallography, Vol. 38, Issue 1
DOI: 10.1107/S0021889804031528

Why are there any magnetic ferroelectrics?
journal, April 2002

A. Hill, Nicola; Filippetti, Alessio
Journal of Magnetism and Magnetic Materials, Vol. 242-245
DOI: 10.1016/S0304-8853(01)01078-2

First-principles predictions of low-energy phases of multiferroic BiFeO $_{3}$
journal, March 2011

Diéguez, Oswaldo; González-Vázquez, O. E.; Wojdeł, Jacek C.
Physical Review B, Vol. 83, Issue 9
DOI: 10.1103/PhysRevB.83.094105

Magnetic domain wall induced ferroelectricity in double perovskites
journal, April 2015

Zhou, Hai Yang; Zhao, Hong Jian; Zhang, Wen Qing
Applied Physics Letters, Vol. 106, Issue 15
DOI: 10.1063/1.4917560

Room-Temperature Multiferroic Hexagonal ${LuFeO}_{3}$ Films
journal, June 2013

Wang, Wenbin; Zhao, Jun; Wang, Wenbo
Physical Review Letters, Vol. 110, Issue 23
DOI: 10.1103/PhysRevLett.110.237601

Classifying multiferroics: Mechanisms and effects
journal, March 2009

Khomskii, Daniel
Physics, Vol. 2
DOI: 10.1103/Physics.2.20

Magnetic coupling between Sm $^{3 +}$ and the canted spin in an antiferromagnetic SmFeO $_{3}$ single crystal
journal, August 2012

Marshall, L. G.; Cheng, J. -G.; Zhou, J. -S.
Physical Review B, Vol. 86, Issue 6
DOI: 10.1103/PhysRevB.86.064417

Improper electric polarization in simple perovskite oxides with two magnetic sublattices
journal, January 2017

Zhao, Hong Jian; Bellaiche, L.; Chen, Xiang Ming
Nature Communications, Vol. 8, Issue 1
DOI: 10.1038/ncomms14025

First Principles Study of Improper Ferroelectricity in ${TbMnO}_{3}$
journal, July 2008

Malashevich, Andrei; Vanderbilt, David
Physical Review Letters, Vol. 101, Issue 3
DOI: 10.1103/PhysRevLett.101.037210

Predicting the spin-lattice order of frustrated systems from first principles
journal, December 2011

Xiang, H. J.; Kan, E. J.; Wei, Su-Huai
Physical Review B, Vol. 84, Issue 22
DOI: 10.1103/PhysRevB.84.224429

Ferroelectric Domains in Multiferroic ${BiFeO}_{3}$ Films under Epitaxial Strains
journal, May 2013

Ren, Wei; Yang, Yurong; Diéguez, Oswaldo
Physical Review Letters, Vol. 110, Issue 18
DOI: 10.1103/PhysRevLett.110.187601

Near room-temperature multiferroic materials with tunable ferromagnetic and electrical properties
journal, May 2014

Zhao, Hong Jian; Ren, Wei; Yang, Yurong
Nature Communications, Vol. 5, Issue 1
DOI: 10.1038/ncomms5021

Why Are There So Few Perovskite Ferroelectrics?
journal, May 2013

Benedek, Nicole A.; Fennie, Craig J.
The Journal of Physical Chemistry C, Vol. 117, Issue 26
DOI: 10.1021/jp402046t

Origins of $↑ ↑ ↓ ↓$ magnetic structure and ferroelectricity in multiferroic ${Lu}_{2} {CoMnO}_{6}$
journal, February 2016

Zhang, J. T.; Lu, X. M.; Yang, X. Q.
Physical Review B, Vol. 93, Issue 7
DOI: 10.1103/PhysRevB.93.075140

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Title: Improper ferroelectricity at antiferromagnetic domain walls of perovskite oxides

Citation Formats

Generalized Gradient Approximation Made Simple journal, October 1996

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Creating multiferroics with large tunable electrical polarization from paraelectric rare-earth orthoferrites journal, October 2014

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Temperature induced Spin Switching in SmFeO3 Single Crystal journal, August 2014

Unified model of ferroelectricity induced by spin order journal, August 2013

Improper ferroelectrics [Несобственные сегнетоэлектрики] journal, January 1974

The ferroelectric polarization of Y 2 CoMnO 6 aligns along the b-axis: the first-principles calculations journal, January 2015

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Predicting a Ferrimagnetic Phase of Zn 2 FeOsO 6 with Strong Magnetoelectric Coupling journal, April 2015

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Universal collaborative couplings between oxygen-octahedral rotations and antiferroelectric distortions in perovskites journal, July 2013

Effect of chemical and hydrostatic pressures on structural and magnetic properties of rare-earth orthoferrites: a first-principles study journal, October 2013

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Pressure-Induced Multiferroics via Pseudo Jahn-Teller Effects and Novel Couplings journal, December 2016

Possible Species of Ferromagnetic, Ferroelectric, and Ferroelastic Crystals journal, August 1970

FINDSYM : program for identifying the space-group symmetry of a crystal journal, January 2005

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First-principles predictions of low-energy phases of multiferroic BiFeO 3 journal, March 2011

Magnetic domain wall induced ferroelectricity in double perovskites journal, April 2015

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journal, March 2012

Ising Magnetism and Ferroelectricity in ${Ca}_{3} {CoMnO}_{6}$
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Dual Nature of Improper Ferroelectricity in a Magnetoelectric Multiferroic
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Magnetoelectric effects via pentalinear interactions
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An X-ray study of the trimetallic LaxSm1−xFeO3 orthoferrites
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Why Are There so Few Magnetic Ferroelectrics?
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${CaCrO}_{3}$ : An Anomalous Antiferromagnetic Metallic Oxide
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From ultrasoft pseudopotentials to the projector augmented-wave method
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VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
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Giant Ferroelectric Polarization of ${CaMn}_{7} O_{12}$ Induced by a Combined Effect of Dzyaloshinskii-Moriya Interaction and Exchange Striction
journal, May 2012

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General Theory for the Ferroelectric Polarization Induced by Spin-Spiral Order
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Improper ferroelectrics [Несобственные сегнетоэлектрики]
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Epitaxial BiFeO₃ Multiferroic Thin Film Heterostructures
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Universal collaborative couplings between oxygen-octahedral rotations and antiferroelectric distortions in perovskites
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Advances in ab-initio theory of multiferroics: Materials and mechanisms: modelling and understanding
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Pressure-Induced Multiferroics via Pseudo Jahn-Teller Effects and Novel Couplings
journal, December 2016

Possible Species of Ferromagnetic, Ferroelectric, and Ferroelastic Crystals
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FINDSYM : program for identifying the space-group symmetry of a crystal
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Why are there any magnetic ferroelectrics?
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First-principles predictions of low-energy phases of multiferroic BiFeO $_{3}$
journal, March 2011

Magnetic domain wall induced ferroelectricity in double perovskites
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Room-Temperature Multiferroic Hexagonal ${LuFeO}_{3}$ Films
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Classifying multiferroics: Mechanisms and effects
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Magnetic coupling between Sm $^{3 +}$ and the canted spin in an antiferromagnetic SmFeO $_{3}$ single crystal
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Improper electric polarization in simple perovskite oxides with two magnetic sublattices
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Predicting the spin-lattice order of frustrated systems from first principles
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