The theoretical calculation about phonon dispersion of the tetragonal and cubic phases in PbTiO3

Authors
Liu, P Xu, WL Li, ZF Miao, ZL Lu, W
Citation
P. Liu et al., The theoretical calculation about phonon dispersion of the tetragonal and cubic phases in PbTiO3, ACT PHY C E, 50(2), 2001, pp. 239-243
Citations number
9
Categorie Soggetti
Physics
Journal title
ACTA PHYSICA SINICA
ISSN journal
10003290 → ACNP
Volume
50
Issue
2
Year of publication
2001
Pages
239 - 243
Database
ISI
SICI code
1000-3290(200102)50:2<239:TTCAPD>2.0.ZU;2-F
Abstract
The rigid-ion model with only eight or nine meaningful parameters is applie d to calculate the dispersion relations of both ferroelectric and paraelect ric phases in PbTiO3. Phonon frequencies and vibration mode at the zone cen ter were obtained. The good agreement between our calculation and the previ ously mode with eighteen parameters is shown. A simple model for investigat ion of the soft modes is suggested.