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Lattice dynamics study on cubic barium titanate based upon a modified rigid-shell model
Takesue N.; Kubo H.; Chen Haydn
1998
Source PublicationFerroelectrics
ISSN00150193
Volume206-207Issue:1 -4; 1-2Pages:219-230
AbstractThe rigid-shell model has been revisited in this paper for the lattice dynamics calculations in the paraelectric BaTiO since a few decades ago. The conventional harmonic models of Cowley et al. and Jannot et al., have been modified by including more interatomic force constants. The force constants were adjusted to fit the calculated phonon dispersion curves to the observed data from inelastic neutron scattering studies that were available in the literature. The calculated dispersions agree satisfactorily with the experimental results. Degeneracies of the phonon branches, as required by the crystal symmetry consideration, have been correctly reproduced for the first time. The fitting parameters of our model have values whose trends are seen to have similar behavior to the previous models. Moreover, the newly employed parameters have shown interesting features related to the short-range, non-Coulombic interactions of the ions.
URLView the original
Language英語English
Fulltext Access
Document TypeJournal article
CollectionUniversity of Macau
AffiliationUniversity of Tokyo
Recommended Citation
GB/T 7714
Takesue N.,Kubo H.,Chen Haydn. Lattice dynamics study on cubic barium titanate based upon a modified rigid-shell model[J]. Ferroelectrics, 1998, 206-207(1 -4; 1-2), 219-230.
APA Takesue N.., Kubo H.., & Chen Haydn (1998). Lattice dynamics study on cubic barium titanate based upon a modified rigid-shell model. Ferroelectrics, 206-207(1 -4; 1-2), 219-230.
MLA Takesue N.,et al."Lattice dynamics study on cubic barium titanate based upon a modified rigid-shell model".Ferroelectrics 206-207.1 -4; 1-2(1998):219-230.
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