[en] We present a method to compute the temperature dependence of the refractive indices and electro-optic coefficients of ferroelectrics from a first-principles effective Hamiltonian and apply it to BaTiO3 in its tetragonal phase. We show that the effective Hamiltonian is a valid approach to study optical properties. We compare our formalism with the model of DiDomenico and Wemple and justify why the latter was successful, although its basic assumption is not met in practice.
Disciplines :
Physics
Author, co-author :
Veithen, M.
Ghosez, Philippe ; Université de Liège - ULiège > Département de physique > Physique théorique des matériaux
Language :
English
Title :
Temperature dependence of the electro-optic tensor and refractive indices of BaTiO3 from first principles
Publication date :
2005
Journal title :
Physical Review. B, Condensed Matter and Materials Physics
ISSN :
1098-0121
eISSN :
1550-235X
Publisher :
American Physical Society, Woodbury, United States - New York
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