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<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>SrTiO</mml:mtext></mml:mrow><mml:mn>3</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:msub><mml:mrow><mml:mtext>BaTiO</mml:mtext></mml:mrow><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>revisited using the projector augmented wave method: Performance of hybrid and semilocal functionals

https://doi.org/10.1103/physrevb.78.104116
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58/58 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.

2 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 58 checked references that resolve
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Inhomogeneous Electron Gas
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Self-Consistent Equations Including Exchange and Correlation Effects
resolves10.1103/PhysRevLett.77.3865
Generalized Gradient Approximation Made Simple
resolves10.1103/PhysRevB.77.165107
Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides
resolves10.1088/0953-8984/18/20/009
Calculations for antiferrodistortive phase of SrTiO<sub>3</sub>perovskite: hybrid density functional study
resolves10.1103/PhysRevB.73.235116
More accurate generalized gradient approximation for solids
resolves10.1103/PhysRevLett.100.136406
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
resolves10.1103/PhysRevB.72.085108
Functional designed to include surface effects in self-consistent density functional theory
resolves10.1063/1.2835596
The AM05 density functional applied to solids
resolves10.1103/PhysRevLett.99.246403
Accurate Quasiparticle Spectra from Self-Consistent<i>GW</i>Calculations with Vertex Corrections
resolves10.1021/j100096a001
Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
resolves10.1063/1.478522
Toward reliable density functional methods without adjustable parameters: The PBE0 model
resolves10.1063/1.478401
Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional
resolves10.1063/1.2404663
Influence of the exchange screening parameter on the performance of screened hybrid functionals
resolves10.1016/S0009-2614(01)00616-9
On the prediction of band gaps from hybrid functional theory
resolves10.1063/1.2085170
Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional
resolves10.1063/1.2187006
Screened hybrid density functionals applied to solids
resolves10.1063/1.2403866
Erratum: “Screened hybrid density functionals applied to solids” [J. Chem. Phys. 124, 154709 (2006)]
resolves10.1063/1.2747249
Why does the B3LYP hybrid functional fail for metals?
resolves10.1103/PhysRevB.55.3480
High-resolution dilatometry measurements of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">SrTiO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>salong cubic and tetragonal axes
resolves10.1002/1521-396X(200010)181:2<387::AID-PSSA387>3.0.CO;2-5
Cubic to Tetragonal Phase Transition of SrTiO3 under Epitaxial Stress: An X-Ray Backscattering Study
resolves10.1103/PhysRev.177.858
Lattice-Dynamical Study of the 110°K Phase Transition in SrTi<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>
resolves10.1103/PhysRev.105.856
Neutron Diffraction Study of Orthorhombic 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>
resolves10.1103/PhysRevB.19.3593
SrTi<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>: An intrinsic quantum paraelectric below 4 K
resolves10.1103/PhysRev.125.1915
Microwave Losses in Strontium Titanate above the Phase Transition
resolves10.1103/PhysRevB.50.601
Dielectric spectroscopy in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">SrTiO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>
resolves10.1103/PhysRevB.13.271
Stress-induced ferroelectricity and soft phonon modes in SrTi<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>
resolves10.1103/PhysRevLett.82.3540
Ferroelectricity Induced by Oxygen Isotope Exchange in Strontium Titanate Perovskite
resolves10.1103/PhysRevB.60.2961
Anomalous zero-point motion in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">SrTiO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mo>:</mml:mo></mml:math> Results from γ-ray diffraction
resolves10.1103/PhysRevB.53.5047
Effect of quantum fluctuations on structural phase transitions in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">SrTiO</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">BaTiO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>
resolves10.1021/j100112a043
Structures of the ferroelectric phases of barium titanate
resolves10.1016/0927-0256(96)00008-0
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
resolves10.1103/PhysRevB.54.11169
Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set
resolves10.1103/PhysRevB.13.5188
Special points for Brillouin-zone integrations
resolves10.1063/1.472933
Rationale for mixing exact exchange with density functional approximations
resolves10.1063/1.1564060
Hybrid functionals based on a screened Coulomb potential
resolves10.1103/PhysRevB.64.235417
<i>Ab initio</i>modeling of surface structure for<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">SrTiO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>perovskite crystals
resolves10.1016/j.commatsci.2003.08.036
Bulk properties and electronic structure of SrTiO3, BaTiO3, PbTiO3 perovskites: an ab initio HF/DFT study
resolves10.1103/PhysRevB.68.035119
Electronic and structural properties of a<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>4</mml:mn><mml:mi>d</mml:mi></mml:math>perovskite: Cubic phase of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">SrZrO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>
resolves10.1103/PhysRevB.58.11959
Applications of the generalized gradient approximation to ferroelectric perovskites
resolves10.1007/BF01392293
Die Messung der Gitterparameteränderung von Strontiumtitanat am Phasenübergang bei 108 °K
resolves10.1007/BF01391506
Die Messung der Gitterparameteränderung von SrTiO3
resolves10.1143/JPSJ.23.546
Electron Spin Resonance of Fe<sup>3+</sup> in SrTiO<sub>3</sub> with Special Reference to the 110°K Phase Transition
resolves10.1103/PhysRev.99.1161
Electrical Behavior of Barium Titanatge Single Crystals at Low Temperatures
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
resolves10.1063/1.1415766
Bulk electronic structure of SrTiO3: Experiment and theory
resolves10.1103/PhysRevB.2.2679
Polarization Fluctuations and the Optical-Absorption Edge 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>
resolves10.1103/PhysRevB.62.13942
First-principles study of ferroelectric and antiferrodistortive instabilities in tetragonal<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">SrTiO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>
resolves10.1103/PhysRevLett.72.3618
Giant LO-TO splittings in perovskite ferroelectrics
resolves10.1103/PhysRev.134.A981
Lattice Dynamics and Phase Transitions of Strontium Titanate
resolves10.1103/PhysRev.126.1710
Far Infrared Dielectric Dispersion 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>, SrTi<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>, and Ti<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>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>
resolves10.1088/0022-3719/5/19/005
Neutron inelastic scattering study of the lattice dynamics of strontium titanate: harmonic models
resolves10.1002/pssb.2220920107
Observation of infrared active and silent modes in cubic crystals by hyper‐Raman scattering
resolves10.1209/epl/i1996-00404-8
Coulomb interaction and ferroelectric instability of BaTiO <sub>3</sub>
resolves10.1088/0022-3719/13/19/018
Soft mode spectroscopy in barium titanate
resolves10.1021/jp960976r
Harmonic Vibrational Frequencies:  An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors
The 2 references without a DOI — listed, not checked
no DOI — not checkedFerroelectrics and Related Substances
no DOI — not checkedFundamental Physics of Ferroelectrics 2000: Aspen Center for Physics Winter Workshop
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