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Origin of ferroelectricity in the multiferroic barium fluorides<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>Ba</mml:mi><mml:mi>M</mml:mi><mml:msub><mml:mi mathvariant="normal">F</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math>: A first principles study

https://doi.org/10.1103/physrevb.74.024102

52/52 checkable references clean · checked 2026-07-23

Every reference with a DOI in the deposited reference list resolved to a known work in Crossref or DataCite at the dated check, and none carried a retraction, withdrawal, or removal notice.

5 without a DOI — not checked. A reference deposited without a DOI is never matched by title or guessed at; it stays outside the checked set, and this line discloses that.

The 52 checked references that resolve

resolves10.1088/0022-3727/38/8/R01

Revival of the magnetoelectric effect

resolves10.1126/science.1113357

The Renaissance of Magnetoelectric Multiferroics

resolves10.1126/science.1080615

Epitaxial BiFeO 3 Multiferroic Thin Film Heterostructures

resolves10.1103/PhysRevB.71.014113

First-principles study of spontaneous polarization in multiferroic<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi mathvariant="normal">Bi</mml:mi><mml:mi mathvariant="normal">Fe</mml:mi><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>

resolves10.1103/PhysRevB.59.8759

First-principles investigation of ferromagnetism and ferroelectricity in bismuth manganite

resolves10.1038/nature02728

Magnetic phase control by an electric field

resolves10.1038/nature02018

Magnetic control of ferroelectric polarization

resolves10.1088/0034-4885/42/6/003

Phase transitions in BaMnF4

resolves10.1007/BF00600459

Ternäre Fluoride ABF4 eines neuen Strukturtyps

resolves10.1016/0375-9601(69)90332-6

Ferroelectricity in BaM2+F4

resolves10.1016/0038-1098(69)90497-9

Dielectric behavior of ferroelectric BaMF4 above room temperature

resolves10.1063/1.1653410

BARIUM MANGANESE FLUORIDE, A NEW CRYSTAL FOR MICROWAVE ULTRASONICS

resolves10.1021/jp000114x

Why Are There so Few Magnetic Ferroelectrics?

resolves10.1021/cm010090m

Visualizing the Role of Bi 6s “Lone Pairs” in the Off-Center Distortion in Ferromagnetic BiMnO3

resolves10.1038/nmat1080

The origin of ferroelectricity in magnetoelectric YMnO3

resolves10.1038/nmat1265

A new route to magnetic ferroelectrics

resolves10.1103/PhysRevB.50.17953

Projector augmented-wave method

resolves10.1103/PhysRevB.54.11169

Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

resolves10.1103/PhysRevB.59.1758

From ultrasoft pseudopotentials to the projector augmented-wave method

resolves10.1103/RevModPhys.61.689

The density functional formalism, its applications and prospects

resolves10.1103/PhysRevB.57.1505

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

resolves10.1088/0953-8984/9/4/002

First-principles calculations of the electronic structure and spectra of strongly correlated systems: theLDA+Umethod

resolves10.1103/PhysRevB.71.224103

Influence of strain and oxygen vacancies on the magnetoelectric properties of multiferroic bismuth ferrite

resolves10.1103/PhysRevB.47.1651

Theory of polarization of crystalline solids

resolves10.1103/PhysRevB.48.4442

Electric polarization as a bulk quantity and its relation to surface charge

resolves10.1103/RevModPhys.66.899

Macroscopic polarization in crystalline dielectrics: the geometric phase approach

resolves10.1063/1.1671885

Crystal Structure of Pyroelectric Paramagnetic Barium Manganese Fluoride, BaMnF4

resolves10.1002/zaac.19885590111

Zur Kenntnis von BaFeF4

resolves10.1063/1.1674478

Ferroelectric Paraelastic Paramagnetic Barium Cobalt Fluoride, BaCoF4, Crystal Structure

resolves10.1002/(SICI)1521-3749(199908)625:8<1255::AID-ZAAC1255>3.0.CO;2-9

Kristallstrukturuntersuchungen an den Alkali- und BariumÜbergangsmetallfluoriden RbK2Mn2F7, BaNiF4 und einer 5 : 3-Phase im System BaLiF3/NaCoF3

resolves10.1103/PhysRevB.69.174429

Effect of electron correlations on the electronic and magnetic structure of Ti-doped<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>α</mml:mi></mml:math>-hematite

resolves10.1016/S0927-0256(02)00186-6

LDA+U calculated electronic and structural properties of NiO(001) and NiO(111) p(2×2) surfaces

resolves10.1103/PhysRevLett.94.137202

Probing Spin Correlations with Phonons in the Strongly Frustrated Magnet<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>ZnCr</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:math>

resolves10.1103/PhysRevB.56.2623

Coupling between the ferroelectric and antiferromagnetic orders in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">YMnO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

resolves10.1103/PhysRevB.53.7158

<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="italic">t</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn><mml:mi mathvariant="italic">g</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>versus all 3dlocalization in LaM<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>perovskites (M=Ti–Cu): First-principles study

resolves10.1103/PhysRevB.58.1201

Reformulation of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="normal">LDA</mml:mi><mml:mo>+</mml:mo><mml:mi>U</mml:mi></mml:math>method for a local-orbital basis

resolves10.1103/PhysRevB.71.035105

Linear response approach to the calculation of the effective interaction parameters in the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>LDA</mml:mi><mml:mo>+</mml:mo><mml:mi mathvariant="normal">U</mml:mi></mml:mrow></mml:math>method

resolves10.1038/358136a0

Origin of ferroelectricity in perovskite oxides

resolves10.1103/PhysRevB.65.195120

Coexistence of magnetism and ferroelectricity in perovskites

resolves10.1063/1.1659035

Neutron Diffraction Study of the Magnetic Structure of BaNiF4

resolves10.1103/PhysRevB.6.2677

Magnetic Structure of the Two-Dimensional Antiferromagnet BaCo<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">F</mml:mi></mml:mrow><mml:mrow><mml:mn>4</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

resolves10.1103/PhysRevB.19.5754

Magnetic and structural phase transitions in BaMn<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">F</mml:mi></mml:mrow><mml:mrow><mml:mn>4</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

resolves10.1103/PhysRevB.72.214105

First principles study of the multiferroics<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi mathvariant="normal">Bi</mml:mi><mml:mi mathvariant="normal">Fe</mml:mi><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="normal">Bi</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mi mathvariant="normal">Fe</mml:mi><mml:mi mathvariant="normal">Cr</mml:mi><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>6</mml:mn></mml:msub></mml:mrow></mml:math>, and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi mathvariant="normal">Bi</mml:mi><mml:mi mathvariant="normal">Cr</mml:mi><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>: Structure, polarization, and magnetic ordering temperature

resolves10.1103/PhysRevB.71.184433

Exchange interactions in barium hexaferrite

resolves10.1103/PhysRevB.65.144446

Electronic structure and stability of the ferrimagnetic ordering in double perovskites

resolves10.1103/PhysRevB.74.020401

Electric-field-switchable magnets: The case of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mi>BaNiF</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math>

resolves10.1103/PhysRevB.58.6224

Dynamical atomic charges: The case of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>AB</mml:mi><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>compounds

resolves10.1007/BF01507527

Die Gesetze der Krystallochemie

resolves10.1103/PhysRevB.39.9738

Ferroelectricity in perovskitelike<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">NaCaF</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>predictedab initio

resolves10.1063/1.1677649

Theory for the Forces between Closed-Shell Atoms and Molecules

resolves10.1103/PhysRevB.69.033102

Electronic properties of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">NaCdF</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mo>:</mml:mo></mml:math> A first-principles prediction

resolves10.1103/PhysRevB.72.100103

Ferroelectric transition in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi mathvariant="normal">Y</mml:mi><mml:mi mathvariant="normal">Mn</mml:mi><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>from first principles

The 5 references without a DOI — listed, not checked

no DOI — not checkedProceedings of the Conference on Neutron Scattering

no DOI — not checkedProceedings of the Conference on Magnetism and Magnetic Materials

no DOI — not checkedMagnetism

no DOI — not checkedThe Mathematical Theory of Symmetry in Solids

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