Predicting a Ferrimagnetic Phase of Zn 2 FeOsO 6 with Strong Magnetoelectric Coupling

Wang, P. S.; Ren, W.; Bellaiche, L.; Xiang, H. J.

doi:10.1103/PhysRevLett.114.147204

Title: Predicting a Ferrimagnetic Phase of ${Zn}_{2} {FeOsO}_{6}$ with Strong Magnetoelectric Coupling

Authors:: Wang, P. S.; Ren, W.; Bellaiche, L.; Xiang, H. J.

Publication Date:: Wed Apr 08 00:00:00 EDT 2015

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

OSTI Identifier:: 1179362

Grant/Contract Number:: ER-46612; 14QA1402000

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review Letters

Additional Journal Information:: Journal Name: Physical Review Letters Journal Volume: 114 Journal Issue: 14; Journal ID: ISSN 0031-9007

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Wang, P. S., Ren, W., Bellaiche, L., and Xiang, H. J. Predicting a Ferrimagnetic Phase of Zn 2 FeOsO 6 with Strong Magnetoelectric Coupling.  United States: N. p., 2015. 
Web.  doi:10.1103/PhysRevLett.114.147204.

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                    Wang, P. S., Ren, W., Bellaiche, L., & Xiang, H. J. Predicting a Ferrimagnetic Phase of Zn 2 FeOsO 6 with Strong Magnetoelectric Coupling.  United States.  https://doi.org/10.1103/PhysRevLett.114.147204

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                    Wang, P. S., Ren, W., Bellaiche, L., and Xiang, H. J. Wed .  
"Predicting a Ferrimagnetic Phase of Zn 2 FeOsO 6 with Strong Magnetoelectric Coupling".  United States.  https://doi.org/10.1103/PhysRevLett.114.147204.

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@article{osti_1179362,

  title        = {Predicting a Ferrimagnetic Phase of Zn 2 FeOsO 6 with Strong Magnetoelectric Coupling},

  author       = {Wang, P. S. and Ren, W. and Bellaiche, L. and Xiang, H. J.},

  abstractNote = {},

  doi          = {10.1103/PhysRevLett.114.147204},

  journal      = {Physical Review Letters},

  number       = 14,

  volume       = 114,

  place        = {United States},

  year         = {Wed Apr 08 00:00:00 EDT 2015},

  month        = {Wed Apr 08 00:00:00 EDT 2015}

}

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Title: Predicting a Ferrimagnetic Phase of Zn 2 FeOsO 6 with Strong Magnetoelectric Coupling

Citation Formats

Generalized Gradient Approximation Made Simple journal, October 1996

Magnetic properties and energy-mapping analysis journal, January 2013

Describing Dzyaloshinskii–Moriya spirals from first principles journal, October 2009

Projector augmented-wave method journal, December 1994

Magnetoelectric Response of Multiferroic BiFeO 3 and Related Materials from First-Principles Calculations journal, December 2009

Modulated, or long-periodic, magnetic structures of crystals journal, November 1984

Origin of ferroelectricity in the multiferroic barium fluorides Ba M F 4 : A first principles study journal, July 2006

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

Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators journal, August 1995

Multiferroics with Spiral Spin Orders journal, December 2009

Origin of ferroelectricity in perovskite oxides journal, July 1992

Spiral magnetic ordering in bismuth ferrite journal, August 1982

Superexchange interaction and symmetry properties of electron orbitals journal, July 1959

Multiferroic Compounds with Double-Perovskite Structures journal, January 2011

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

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

Multiferroicity: the coupling between magnetic and polarization orders journal, July 2009

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

Epitaxial BiFeO3 Multiferroic Thin Film Heterostructures journal, March 2003

Theoretical prediction of multiferroicity in double perovskite Y 2 NiMnO 6 journal, October 2010

First-principle investigations of the peculiar magnetic behavior of Sr 2 FeOsO 6 : First-principle investigations of the peculiar magnetic behavior of Sr journal, July 2014

Magnetic Cycloid of BiFeO 3 from Atomistic Simulations journal, July 2012

Designed Ferromagnetic, Ferroelectric Bi 2 NiMnO 6 journal, June 2005

Electrical control of antiferromagnetic domains in multiferroic BiFeO3 films at room temperature journal, September 2006

Sr 2 Cr Os O 6 : End point of a spin-polarized metal-insulator transition by 5 d band filling journal, January 2007

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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal, July 1996

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Theory of polarization enhancement in epitaxial BaTiO3/SrTiO3 superlattices journal, March 2003

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

Polar and Magnetic Mn 2 FeMO 6 (M=Nb, Ta) with LiNbO 3 -type Structure: High-Pressure Synthesis journal, June 2013

Electrostatic Model of Atomic Ordering in Complex Perovskite Alloys journal, August 1998

Recent Progress in Multiferroic Magnetoelectric Composites: from Bulk to Thin Films journal, February 2011

Designing Polar and Magnetic Oxides: Zn 2 FeTaO 6 - in Search of Multiferroics journal, June 2014

High-temperature multiferroicity and strong magnetocrystalline anisotropy in 3 d - 5 d double perovskites journal, January 2011

Origin of polar distortion in LiNbO 3 -type “ferroelectric” metals: Role of A -site instability and short-range interactions journal, September 2014

Ferrimagnetism in the double perovskite Ca 2 FeOsO 6 : A density functional study journal, August 2014

Multiferroics progress and prospects in thin films journal, January 2007

Multiferroicity due to charge ordering journal, October 2008

Multiferroics: a magnetic twist for ferroelectricity journal, January 2007

Comment on "Epitaxial BiFeO3 Multiferroic Thin Film Heterostructures" journal, February 2005

High-Temperature Ferrimagnetism Driven by Lattice Distortion in Double Perovskite Ca 2 FeOsO 6 journal, February 2014

Bridging Multiferroic Phase Transitions by Epitaxial Strain in BiFeO 3 journal, July 2010

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

First principles studies of multiferroic materials journal, July 2009

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Title: Predicting a Ferrimagnetic Phase of ${Zn}_{2} {FeOsO}_{6}$ with Strong Magnetoelectric Coupling

Generalized Gradient Approximation Made Simple
journal, October 1996

Magnetic properties and energy-mapping analysis
journal, January 2013

Describing Dzyaloshinskii–Moriya spirals from first principles
journal, October 2009

Projector augmented-wave method
journal, December 1994

Magnetoelectric Response of Multiferroic ${BiFeO}_{3}$ and Related Materials from First-Principles Calculations
journal, December 2009

Modulated, or long-periodic, magnetic structures of crystals
journal, November 1984

Origin of ferroelectricity in the multiferroic barium fluorides $Ba M F_{4}$ : A first principles study
journal, July 2006

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

Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators
journal, August 1995

Multiferroics with Spiral Spin Orders
journal, December 2009

Origin of ferroelectricity in perovskite oxides
journal, July 1992

Spiral magnetic ordering in bismuth ferrite
journal, August 1982

Superexchange interaction and symmetry properties of electron orbitals
journal, July 1959

Multiferroic Compounds with Double-Perovskite Structures
journal, January 2011

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

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

Multiferroicity: the coupling between magnetic and polarization orders
journal, July 2009

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

Epitaxial BiFeO₃ Multiferroic Thin Film Heterostructures
journal, March 2003

Theoretical prediction of multiferroicity in double perovskite $Y_{2} {NiMnO}_{6}$
journal, October 2010

First-principle investigations of the peculiar magnetic behavior of Sr ₂ FeOsO ₆ : First-principle investigations of the peculiar magnetic behavior of Sr
journal, July 2014

Magnetic Cycloid of ${BiFeO}_{3}$ from Atomistic Simulations
journal, July 2012

Designed Ferromagnetic, Ferroelectric Bi ₂ NiMnO ₆
journal, June 2005

Electrical control of antiferromagnetic domains in multiferroic BiFeO3 films at room temperature
journal, September 2006

${Sr}_{2} Cr Os O_{6}$ : End point of a spin-polarized metal-insulator transition by $5 d$ band filling
journal, January 2007

Polarization enhancement in perovskite superlattices by oxygen octahedral tilts
journal, August 2014

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Low-field magnetoelectric effect at room temperature
journal, August 2010

High-Pressure Synthesis, Crystal Structure, and Phase Stability Relations of a LiNbO ₃ -Type Polar Titanate ZnTiO ₃ and Its Reinforced Polarity by the Second-Order Jahn–Teller Effect
journal, November 2013

Theory of polarization enhancement in epitaxial BaTiO3/SrTiO3 superlattices
journal, March 2003

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Polar and Magnetic Mn ₂ FeMO ₆ (M=Nb, Ta) with LiNbO ₃ -type Structure: High-Pressure Synthesis
journal, June 2013

Electrostatic Model of Atomic Ordering in Complex Perovskite Alloys
journal, August 1998

Recent Progress in Multiferroic Magnetoelectric Composites: from Bulk to Thin Films
journal, February 2011

Designing Polar and Magnetic Oxides: Zn ₂ FeTaO ₆ - in Search of Multiferroics
journal, June 2014

High-temperature multiferroicity and strong magnetocrystalline anisotropy in $3 d$ - $5 d$ double perovskites
journal, January 2011

Origin of polar distortion in ${LiNbO}_{3}$ -type “ferroelectric” metals: Role of $A$ -site instability and short-range interactions
journal, September 2014

Ferrimagnetism in the double perovskite ${Ca}_{2} {FeOsO}_{6}$ : A density functional study
journal, August 2014

Multiferroics progress and prospects in thin films
journal, January 2007

Multiferroicity due to charge ordering
journal, October 2008

Multiferroics: a magnetic twist for ferroelectricity
journal, January 2007

Comment on "Epitaxial BiFeO3 Multiferroic Thin Film Heterostructures"
journal, February 2005

High-Temperature Ferrimagnetism Driven by Lattice Distortion in Double Perovskite Ca ₂ FeOsO ₆
journal, February 2014

Bridging Multiferroic Phase Transitions by Epitaxial Strain in ${BiFeO}_{3}$
journal, July 2010

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

First principles studies of multiferroic materials
journal, July 2009

First-principles calculations of the ferroelastic transition between rutile-type and ${CaCl}_{2}$ -type ${SiO}_{2}$ at high pressures
journal, October 2008

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

Theory of the Role of Covalence in the Perovskite-Type Manganites $[La, M (II)] Mn O_{3}$
journal, October 1955