First-principles study of the electro-optic effect in ferroelectric oxides

[en] We first present a method to compute the electro-optic tensor from first principles, explicitly taking into account the electronic, ionic and piezoelectric contributions. We then study the nonlinear optic behavior of three paradigmatic ferroelectric oxides. Our calculations reveal the dominant contribution of the soft mode to the electro-optic coefficients in LiNbO3 and BaTiO3 and its minor role in PbTiO3. We identify the coupling between the electric field and the polar atomic displacements along the B-O chains as the origin of the large electro-optic response in perovskite ABO(3) compounds.

Disciplines :

Physics

Author, co-author :

Veithen, M.

Gonze, X.

Ghosez, Philippe ; Université de Liège - ULiège > Département de physique > Physique théorique des matériaux

Language :

English

Title :

First-principles study of the electro-optic effect in ferroelectric oxides

Publication date :

2004

Journal title :

Physical Review Letters

ISSN :

0031-9007

eISSN :

1079-7114

Publisher :

American Physical Society, Ridge, United States - New York

Volume :

Pages :

187401

Peer reviewed :

Peer Reviewed verified by ORBi

Available on ORBi :

since 02 December 2009

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