0000000001053538

AUTHOR

A. Khalal

showing 2 related works from this author

Etude theorique de la dynamique du réseau de batio en phase quadratique

1999

Abstract The lattice dynamics of barium titanate BaTiO 3 is discussed quantitatively in the framework of a shell model taking into account the electronic polarizabilities of the constituent ions and including Coulomb and short-range interactions. The results of calculations point out the important role of the anisotropic oxygen polarizability. There is a good agreement between calculated and experimental dispersion curves.

Lattice dynamicsMineralogyThermodynamicsIonCondensed Matter::Materials Sciencechemistry.chemical_compoundchemistryPolarizabilityMolecular vibrationBarium titanatePhysics::Atomic and Molecular ClustersMaterials ChemistryCoulombPhysics::Atomic PhysicsAnisotropyDispersion (chemistry)Annales de Chimie Science des Matériaux
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Elastic and piezoelectric properties of BaTiO3 at room temperature

1999

Abstract We have calculated the phonon dispersion curves of barium titanate (BaTiO 3 ) at room temperature. A lattice dynamical formalism using the shell model is used. This microscopic model includes the short-range interactions of axially symmetric type and the long-range Coulomb interactions and taking into account the electronic polarizability of constituent ions. Zone center phonon and a few phonons in the first Brillouin zone are used for fitting. The values of relevant parameters are critically analyzed. A calculation of the elastic and piezoelectric properties is presented and compared with the available experimental data.

Materials scienceCondensed matter physicsPhononCondensed Matter PhysicsPiezoelectricityElectronic Optical and Magnetic MaterialsIonBrillouin zoneCondensed Matter::Materials Sciencechemistry.chemical_compoundchemistryPolarizabilityBarium titanateCoulombElectrical and Electronic EngineeringAxial symmetryPhysica B: Condensed Matter
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