Temperature dependence of the electro-optic tensor and refractive indices of BaTiO3 from first principles

[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

Volume :

Pages :

132101

Peer reviewed :

Peer Reviewed verified by ORBi

Available on ORBi :

since 02 December 2009

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