Precursor structures in ferroelectrics from first-principles calculations
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- Type
- article
- Published
- 1998-02-01
- Cited by
- 19
- References
- 14
- OpenAlex
- https://openalex.org/W2084727232
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:122285285
Keywords
Brillouin zone, Instability, Wave vector, Hamiltonian (control theory), Condensed matter physics
References
- Critical Neutron Scattering in SrTi O 3 and KMn F 3
- Nonlinear molecular dynamics and Monte Carlo algorithms.
- The chain structure of BaTiO3 and KNbO3
- Linear chain structure in cubic KNbO3 and BaTiO3
- Local atomic structure of PZT and PLZT studied by pulsed neutron scattering
- Molecular-dynamics study of a three-dimensional one-component model for distortive phase transitions
- Displacement correlation and anomalous x-ray scattering in BaTiO3
- Phonon dispersion and anharmonicity in cubic KNbO3
- Localized basis for effective lattice Hamiltonians: Lattice Wannier functions.
- Structural disorder in perovskite ferroelectric crystals as revealed by XAFS
- Ground-state properties of lanthanum: Treatment of extended-core states.
- Raman spectrum in PbTiO3 re-examined: dynamics of the soft phonon and the central peak
- Désordre linéaire dans les cristaux (cas du silicium, du quartz, et des pérovskites ferroélectriques)
- First-Principles Determination of Chain-Structure Instability in KNbO3.
Cited by
- Unusual vortex structure in ultrathin Pb(Zr0.5Ti0.5)O3 films
- Lead Stereochemistry in Incommensurate Ferroelectric Perovskites and in Incommensurate Lead Monoxide
- Dynamic local distortions in KNbO3
- First-principles based modelling of ferroelectrics
- Dynamic mechanisms of the structural phase transitions in KNbO3: Molecular dynamics simulations
- Modeling challenges in ceramic materials innovations
- Order-disorder, local structure and precursor effects in BaTiO3
- Finite-temperature properties of ( Ba , Sr ) Ti O 3 systems from atomistic simulations
- Coexistence of the phonon and relaxation soft modes in the terahertz dielectric response of tetragonal BaTiO3.
- Ferroelectricity in barium titanate quantum dots and wires.
- TOPICAL REVIEW: Ab initio simulation of the properties of ferroelectric materials
- Correlations and local order parameter in the paraelectric phase of barium titanate
- DO WE NEED THE ETHER OF POLAR NANOREGIONS
- The ferroelectric and cubic phases in BaTiO3 ferroelectrics are also antiferroelectric
- Dielectric properties of BaTiO3 by molecular dynamics simulations using a shell model
- Electrical susceptibilities of KNbO3 by molecular dynamics simulations using a shell model
- Strain and electric field mediated manipulation of magnetism in La(1-x)SrxMnO3/BaTiO3 heterostructures
- Understanding and revisiting the most complex perovskite system via atomistic simulations
- DFT-based insight into finite-temperature properties of ferroelectric perovskites with lone-pair: the case of CsGeX3 (X = Cl, Br, I)
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