Open AccessTHE THEORETICAL CALCULATION ABOUT PHONON DISPERSION OF THE TETRAGONAL AND CUBIC PHASES IN PbTiO3
Author(s) -
Ping Liu,
Xu Wen-Lan,
Zhifeng Li,
Miao Zhong-Lin,
Wei Lu
Publication year - 2001
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.50.239
Subject(s) - phonon , tetragonal crystal system , condensed matter physics , soft modes , ferroelectricity , dispersion (optics) , materials science , dispersion relation , dielectric , mode (computer interface) , center (category theory) , surface phonon , normal mode , cubic crystal system , vibration , physics , phase (matter) , optics , quantum mechanics , crystallography , chemistry , computer science , operating system
The rigid-ion model with only eight or nine meaningful parameters is applied to calculate the dispersion relations of both ferroelectric and paraelectric phases in PbTiO3. Phonon frequencies and vibration mode at the zone center were obtained. The good agreement between our calculation and the previously mode with eighteen parameters is shown. A simple model for investigation of the soft modes is suggested.