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<i>Ab initio</i>study of ferroelectric 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>

https://doi.org/10.1103/physrevb.65.104111
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36/36 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 36 checked references that resolve
resolves10.1103/PhysRevB.42.6396
Quasi-one-dimensional solutions for domain walls and their constraints in improper ferroelastics
resolves10.1103/PhysRevB.44.5
Theory of tetragonal twin structures in ferroelectric perovskites with a first-order phase transition
resolves10.1103/PhysRevB.53.R5969
First-principles investigation of 180° domain walls in BaTi<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>
resolves10.1063/1.125164
<i>Ab initio</i> study of 180° domain wall energy and structure in PbTiO3
resolves10.1016/S0022-3697(99)00295-4
Ab initio study of dipolar defects and 180° domain walls in PbTiO3
resolves10.1080/00150198908018084
Structure and reactivity of atomic surfaces of barium titanate under electron irradiation
resolves10.1016/0304-3991(92)90037-K
High-resolution electron microscopy of 90° ferroelectric domain boundaries in BaTiO3 and Pb(Zr0.52Ti0.48)O3
resolves10.1080/01418619508244477
Atomistic structure of 90° domain walls in ferroelectric PbTiO<sub>3</sub>thin films
resolves10.1080/00150199908225285
Ferroelectric domain walls in BaTiO<sub>3</sub>: Structural wall model interpreting fingerprints in XRPD diagrams
resolves10.1093/oxfordjournals.jmicro.a023740
A comparison of HREM and weak beam transmission electron microscopy for the quantitative measurement of the thickness of ferroelectric domain walls
resolves10.1103/PhysRev.136.B864
Inhomogeneous Electron Gas
resolves10.1103/PhysRev.140.A1133
Self-Consistent Equations Including Exchange and Correlation Effects
resolves10.1103/PhysRevLett.45.566
Ground State of the Electron Gas by a Stochastic Method
resolves10.1103/PhysRevB.23.5048
Self-interaction correction to density-functional approximations for many-electron systems
resolves10.1103/PhysRevB.42.6416
Lattice dynamics and origin of ferroelectricity in<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:math>: Linearized-augmented-plane-wave total-energy calculations
resolves10.1038/358136a0
Origin of ferroelectricity in perovskite oxides
resolves10.1103/PhysRevB.49.5828
First-principles investigation of ferroelectricity in perovskite compounds
resolves10.1103/PhysRevLett.73.1861
Phase Transitions in BaTi<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>from First Principles
resolves10.1103/PhysRevB.52.6301
First-principles theory of ferroelectric phase transitions for perovskites: The case 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:math>
resolves10.1103/PhysRevB.47.1651
Theory of polarization of crystalline solids
resolves10.1103/PhysRevLett.72.3618
Giant LO-TO splittings in perovskite ferroelectrics
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
resolves10.1103/PhysRevLett.80.4321
First-Principles Study of Piezoelectricity in<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>
resolves10.1038/35002022
Polarization rotation mechanism for ultrahigh electromechanical response in single-crystal piezoelectrics
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
resolves10.1103/PhysRevLett.83.1231
Dipolar Defect Model for Fatigue in Ferroelectric Perovskites
resolves10.1016/0022-3697(96)00003-0
Periodic slab LAPW computations for ferroelectric BaTiO3
resolves10.1103/PhysRevB.56.1625
<b><i>Ab initio</i></b>study of BaTiO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow/><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>surfaces
resolves10.1039/a903029h
Theory of PbTiO3, BaTiO3, and SrTiO3 surfaces
resolves10.1103/PhysRevB.63.205426
<i>Ab initio</i>study 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: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">PbTiO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>surfaces in external electric fields
resolves10.1103/PhysRevB.41.7892
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
resolves10.1080/00150199508221836
Local density and generalized gradient approximation studies of KNbO3 and BaTiO3
resolves10.1103/PhysRevB.13.5188
Special points for Brillouin-zone integrations
resolves10.1063/1.369011
Study on surface and domain structures of PbTiO3 crystals by atomic force microscopy
resolves10.1103/PhysRevB.45.13891
Optimal meshes for integrals in real- and reciprocal-space unit cells
resolves10.1103/PhysRevLett.53.1069
Twin Boundaries in Ferroelastic Media without Interface Dislocations
The 5 references without a DOI — listed, not checked
no DOI — not checkedPhysRevB.65.104111Cc1R1
no DOI — not checkedPhysRevB.65.104111Cc2R1
no DOI — not checkedPhysRevB.65.104111Cc10R1
no DOI — not checkedPhysRevB.65.104111Cc22R1
no DOI — not checkedPhysRevB.65.104111Cc27R1
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