Electrostatic model of the LiTaO3 ferroelectric
Abstract
Possible combinations of the electronic polarizability tensor components for oxygen and tantalum ions have been established based on the analysis of the refraction coefficients of LiTaO3 crystal in the far-IR region. The local electric field on structurally nonequivalent ions in the LiTaO3 unit cell was calculated within the modified point-multipole model. A combination of the electronic polarizability tensor components for oxygen and tantalum ions and their effective charges is established, which provides a good correspondence of the calculation results with the experimental data on LiTaO3 crystals obtained by 7Li nuclear magnetic resonance and 181Ta nuclear quadrupole resonance and with the known value of the crystal spontaneous polarization.
- Publication:
-
Crystallography Reports
- Pub Date:
- January 2017
- DOI:
- 10.1134/S1063774516040258
- Bibcode:
- 2017CryRp..62..118Y