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Title: Improper magnetic ferroelectricity of nearly pure electronic nature in helicoidal spiral CaMn 7 O 12

Authors:
; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1416630
Grant/Contract Number:  
FG02-07ER46431
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 97 Journal Issue: 4; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Lim, Jin Soo, Saldana-Greco, Diomedes, and Rappe, Andrew M. Improper magnetic ferroelectricity of nearly pure electronic nature in helicoidal spiral CaMn 7 O 12. United States: N. p., 2018. Web. doi:10.1103/PhysRevB.97.045115.
Lim, Jin Soo, Saldana-Greco, Diomedes, & Rappe, Andrew M. Improper magnetic ferroelectricity of nearly pure electronic nature in helicoidal spiral CaMn 7 O 12. United States. doi:10.1103/PhysRevB.97.045115.
Lim, Jin Soo, Saldana-Greco, Diomedes, and Rappe, Andrew M. Thu . "Improper magnetic ferroelectricity of nearly pure electronic nature in helicoidal spiral CaMn 7 O 12". United States. doi:10.1103/PhysRevB.97.045115.
@article{osti_1416630,
title = {Improper magnetic ferroelectricity of nearly pure electronic nature in helicoidal spiral CaMn 7 O 12},
author = {Lim, Jin Soo and Saldana-Greco, Diomedes and Rappe, Andrew M.},
abstractNote = {},
doi = {10.1103/PhysRevB.97.045115},
journal = {Physical Review B},
number = 4,
volume = 97,
place = {United States},
year = {2018},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1103/PhysRevB.97.045115

Citation Metrics:
Cited by: 4 works
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Works referenced in this record:

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


Magnetic-Field-Induced Ferroelectric State in DyFeO 3
journal, August 2008


Multiferroics of spin origin
journal, July 2014


Ferroelectricity due to Orbital Ordering in E -Type Undoped Rare-Earth Manganites
journal, February 2011


Electronic transition above room temperature in CaMn7O12 films
journal, October 2015

  • Huon, A.; Lang, A. C.; Saldana-Greco, D.
  • Applied Physics Letters, Vol. 107, Issue 14
  • DOI: 10.1063/1.4932132

Magnetically Driven Ferroelectric Order in Ni 3 V 2 O 8
journal, August 2005


QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

  • Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
  • Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
  • DOI: 10.1088/0953-8984/21/39/395502

Magnetic Inversion Symmetry Breaking and Ferroelectricity in TbMnO 3
journal, August 2005


Ferroelectricity Induced by Proper-Screw Type Magnetic Order
journal, July 2007


Particle and crystallite size effects on the modulated structure of multiferroic CaMn7O12
journal, February 2013

  • Sławiński, Wojciech; Przeniosło, Radosław; Sosnowska, Izabela
  • Journal of Solid State Chemistry, Vol. 198
  • DOI: 10.1016/j.jssc.2012.10.024

Electric Field Switching of the Magnetic Anisotropy of a Ferromagnetic Layer Exchange Coupled to the Multiferroic Compound BiFeO 3
journal, December 2009


The origin of ferroelectricity in magnetoelectric YMnO3
journal, February 2004

  • Van Aken, Bas B.; Palstra, Thomas T. M.; Filippetti, Alessio
  • Nature Materials, Vol. 3, Issue 3
  • DOI: 10.1038/nmat1080

Ferroelectricity and Giant Magnetocapacitance in Perovskite Rare-Earth Manganites
journal, June 2004


Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998

  • Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.
  • Physical Review B, Vol. 57, Issue 3, p. 1505-1509
  • DOI: 10.1103/PhysRevB.57.1505

Physics and Applications of Bismuth Ferrite
journal, June 2009


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


Self-consistent treatment of spin-orbit coupling in solids using relativistic fully separable ab initio pseudopotentials
journal, July 2001


Improved pseudopotential transferability for magnetic and electronic properties of binary manganese oxides from DFT + U + J calculations
journal, October 2016


Nonlinear ionic pseudopotentials in spin-density-functional calculations
journal, August 1982


Ferroelectric Polarization Flop in a Frustrated Magnet MnWO 4 Induced by a Magnetic Field
journal, August 2006


Giant Ferroelectric Polarization of CaMn 7 O 12 Induced by a Combined Effect of Dzyaloshinskii-Moriya Interaction and Exchange Striction
journal, May 2012


Modulated spin helicity stabilized by incommensurate orbital density waves in a quadruple perovskite manganite
journal, May 2016


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


Theory of polarization of crystalline solids
journal, January 1993


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


Revival of the magnetoelectric effect
journal, April 2005


Importance of nonlinear core corrections for density-functional based pseudopotential calculations
journal, November 1999


Magnetoelectric control of spin-chiral ferroelectric domains in a triangular lattice antiferromagnet
journal, October 2008


J dependence in the LSDA + U treatment of noncollinear magnets
journal, December 2010


Hybrid Improper Ferroelectricity: A Mechanism for Controllable Polarization-Magnetization Coupling
journal, March 2011


Synthesis and properties of a new quadruple perovskite: A-site ordered PbMn3Mn4O12
journal, June 2012


Inversion-symmetry breaking in the noncollinear magnetic phase of the triangular-lattice antiferromagnet Cu Fe O 2
journal, June 2006


Giant Improper Ferroelectricity in the Ferroaxial Magnet CaMn 7 O 12
journal, February 2012


Magneto-orbital helices as a route to coupling magnetism and ferroelectricity in multiferroic CaMn7O12
journal, January 2012

  • Perks, N. J.; Johnson, R. D.; Martin, C.
  • Nature Communications, Vol. 3, Issue 1
  • DOI: 10.1038/ncomms2294

MATERIALS SCIENCE: The Renaissance of Magnetoelectric Multiferroics
journal, July 2005


Evidence for large electric polarization from collinear magnetism in TmMnO 3
journal, April 2009


Magnetic control of ferroelectric polarization
journal, November 2003


Ferroelectricity in an Ising Chain Magnet
journal, January 2008


First-principles study of structurally modulated multiferroic CaMn 7 O 12
journal, February 2015


Multiferroic properties of CaMn 7 O 12
journal, November 2011


Origin of multiferroicity in MnWO 4
journal, April 2013


The preferred orientation of Mn3 spins in magnetic multiferroic CaMn7O12
journal, December 2015


Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory
journal, June 1999


Special points for Brillouin-zone integrations
journal, June 1976

  • Monkhorst, Hendrik J.; Pack, James D.
  • Physical Review B, Vol. 13, Issue 12, p. 5188-5192
  • DOI: 10.1103/PhysRevB.13.5188

Spin-Orbit Coupling and Ion Displacements in Multiferroic TbMnO 3
journal, July 2008


Magnetic Reversal of the Ferroelectric Polarization in a Multiferroic Spinel Oxide
journal, May 2006


Designed nonlocal pseudopotentials for enhanced transferability
journal, May 1999


Orbital ordering and magnetic interactions in BiMnO 3
journal, July 2008


Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
journal, April 2008


Dzyaloshinskii-Moriya interaction and spin reorientation transition in the frustrated kagome lattice antiferromagnet
journal, June 2011


Classifying multiferroics: Mechanisms and effects
journal, March 2009


Superexchange-Driven Magnetoelectricity in Magnetic Vortices
journal, April 2009


Magnetotransport phenomena in A ( Mn 3 x Cu x ) Mn 4 O 12 ( A = Ca , Tb, Tm) perovskites
journal, December 1998


Direct Transition from a Disordered to a Multiferroic Phase on a Triangular Lattice
journal, June 2007


Multiferroicity due to charge ordering
journal, October 2008


First Principles Study of Improper Ferroelectricity in TbMnO 3
journal, July 2008


Importance of anisotropic Coulomb interaction in LaMnO 3
journal, August 2015


Multiferroics: a magnetic twist for ferroelectricity
journal, January 2007

  • Cheong, Sang-Wook; Mostovoy, Maxim
  • Nature Materials, Vol. 6, Issue 1
  • DOI: 10.1038/nmat1804

Bond electronic polarization induced by spin
journal, December 2006


Anisotropic Superexchange Interaction and Weak Ferromagnetism
journal, October 1960


Relative orientation of the magnetic moments in modulated multiferroic CaMn7O12
journal, November 2013

  • Przeniosło, Radosław; Wardecki, Dariusz; Sławiński, Wojciech
  • Physica B: Condensed Matter, Vol. 428
  • DOI: 10.1016/j.physb.2013.07.008

Non-collinear magnetism in multiferroic perovskites
journal, February 2016


Magnetic properties and origins of ferroelectric polarization in multiferroic CaMn 7 O 12
journal, February 2013


Ferroelectricity in the Magnetic E -Phase of Orthorhombic Perovskites
journal, November 2006


Electric-field control of local ferromagnetism using a magnetoelectric multiferroic
journal, April 2008

  • Chu, Ying-Hao; Martin, Lane W.; Holcomb, Mikel B.
  • Nature Materials, Vol. 7, Issue 6, p. 478-482
  • DOI: 10.1038/nmat2184

Spin-Driven Ferroelectricity in Triangular Lattice Antiferromagnets A CrO 2 ( A = Cu , Ag, Li, or Na)
journal, August 2008


Spin Current and Magnetoelectric Effect in Noncollinear Magnets
journal, July 2005


Optimized pseudopotentials
journal, January 1990

  • Rappe, Andrew M.; Rabe, Karin M.; Kaxiras, Efthimios
  • Physical Review B, Vol. 41, Issue 2
  • DOI: 10.1103/PhysRevB.41.1227

Dependence of improper ferroelectricity on the preferred orientation of Mn3 spins in CaMn 7 O 12
journal, February 2017


Importance of anisotropic Coulomb interactions and exchange to the band gap and antiferromagnetism of β -MnO 2 from DFT+ U
journal, November 2012


First-principles study of electronic and structural properties of CuO
journal, September 2011

  • Himmetoglu, Burak; Wentzcovitch, Renata M.; Cococcioni, Matteo
  • Physical Review B, Vol. 84, Issue 11
  • DOI: 10.1103/PhysRevB.84.115108