0000000001053538
AUTHOR
A. Khalal
Etude theorique de la dynamique du réseau de batio en phase quadratique
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.
Elastic and piezoelectric properties of BaTiO3 at room temperature
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.