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Effect of the oxygen vacancy on the ferroelectricity of 90° domain wall structure in PbTiO3: A density functional theory study

https://doi.org/10.1063/1.5125306
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34/34 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.

4 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 34 checked references that resolve
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Tunable Metallic Conductance in Ferroelectric Nanodomains
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Nanoscale Control of Domain Architectures in BiFeO<sub>3</sub> Thin Films
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Strain-induced magnetic domain wall control by voltage in hybrid piezoelectric BaTiO3 ferrimagnetic TbFe structures
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Domain walls and ferroelectric reversal in corundum derivatives
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PHASE FIELD STUDY OF POLARIZATION VORTEX IN FERROELECTRIC NANOSTRUCTURES
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First-principles study of oxygen-vacancy pinning of domain walls in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">PbTiO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>
resolves10.1103/PhysRevB.96.184109
Pressure-induced switching in ferroelectrics: Phase-field modeling, electrochemistry, flexoelectric effect, and bulk vacancy dynamics
resolves10.1088/1361-6463/aab6d7
Molecular dynamics simulations of ferroelectric domain formation by oxygen vacancy
resolves10.1103/PhysRevB.81.094114
Oxygen-vacancy-induced<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mn>90</mml:mn><mml:mo>°</mml:mo></mml:mrow></mml:math>-domain clamping in ferroelectric<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>Bi</mml:mtext></mml:mrow><mml:mn>4</mml:mn></mml:msub><mml:msub><mml:mrow><mml:mtext>Ti</mml:mtext></mml:mrow><mml:mn>3</mml:mn></mml:msub><mml:msub><mml:mtext>O</mml:mtext><mml:mrow><mml:mn>12</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>single crystals
resolves10.1103/PhysRevB.88.214116
Defect ordering and defect–domain-wall interactions in PbTiO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mrow/><mml:mn>3</mml:mn></mml:msub></mml:math>: A first-principles study
resolves10.1103/PhysRevB.96.104431
Improper ferroelectricity at antiferromagnetic domain walls of perovskite oxides
resolves10.1038/nmat4799
Domain-wall conduction in ferroelectric BiFeO3 controlled by accumulation of charged defects
resolves10.1063/1.352948
Domain wall clamping in ferroelectrics by orientation of defects
resolves10.1088/0953-8984/15/14/305
Trapping of oxygen vacancies on twin walls of CaTiO<sub>3</sub>: a computer simulation study
resolves10.1038/nmat1151
Investigation of twin-wall structure at the nanometre scale using atomic force microscopy
resolves10.1103/PhysRevLett.95.247603
Depletion Layers and Domain Walls in Semiconducting Ferroelectric Thin Films
resolves10.1063/1.4947052
Dielectric tunability of vertically aligned ferroelectric-metal oxide nanocomposite films controlled by out-of-plane misfit strain
resolves10.1299/mej.15-00037
Hybrid functional study on the ferroelectricity of domain walls with O-vacancies in PbTiO&lt;sub&gt;3&lt;/sub&gt;
resolves10.1021/acs.nanolett.5b04113
Multiferroic Domain Walls in Ferroelectric PbTiO<sub>3</sub> with Oxygen Deficiency
resolves10.1103/PhysRevB.93.144102
Asymmetric structure of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msup><mml:mn>90</mml:mn><mml:mo>∘</mml:mo></mml:msup></mml:math>domain walls and interactions with defects in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>PbTiO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>
resolves10.1103/PhysRev.136.B864
Inhomogeneous Electron Gas
resolves10.1103/PhysRev.140.A1133
Self-Consistent Equations Including Exchange and Correlation Effects
resolves10.1103/PhysRevB.60.836
Lattice dynamics of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">BaTiO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mo>,</mml:mo></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">PbTiO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>, and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">PbZrO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>: A comparative first-principles study
resolves10.1063/1.5013049
Ferroelectric critical size and vortex domain structures of PbTiO3 nanodots: A density functional theory study
resolves10.1103/PhysRevB.77.094105
<i>Ab initio</i>study of stress-induced domain switching in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi mathvariant="normal">Pb</mml:mi><mml:mi mathvariant="normal">Ti</mml:mi><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>
resolves10.1039/a903029h
Theory of PbTiO3, BaTiO3, and SrTiO3 surfaces
resolves10.1063/1.125164
<i>Ab initio</i> study of 180° domain wall energy and structure in PbTiO3
resolves10.1103/PhysRevLett.72.3618
Giant LO-TO splittings in perovskite ferroelectrics
resolves10.1080/01418619508244477
Atomistic structure of 90° domain walls in ferroelectric PbTiO<sub>3</sub>thin films
resolves10.1038/358136a0
Origin of ferroelectricity in perovskite oxides
resolves10.1103/PhysRevLett.87.217601
Evidence for Pb-O Covalency in Tetragonal<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>PbTiO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>
The 4 references without a DOI — listed, not checked
no DOI — not checkedFerroelectric Memories
no DOI — not checkedThin Film Ferroelectric Materials and Devices
no DOI — not checkedEffect of defects and electric field on stress-induced motion of 90° domain wall in PbTiO3: A molecular dynamics study
no DOI — not checkedInfluence of uniaxial tensile stress on the mechanical and piezoelectric properties of short-period ferroelectric superlattice
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