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

Marek Veithen, Xavier Gonze, Philippe Ghosez

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92 Citations (Scopus)

Abstract

A method to compute the electro-optic tensor from the first principles was described. The coupling between the electric field and the polar atomic dispalcements along the B-O chains as the origin of the large electro-optic response in perovskite ABO3 compounds was also analyzed. The Raman susceptibility was determined by the atomic displacements along the B-O chains in the polar direction. The calculations reveal the dominant contribution of the soft mode to the electro-optic coefficients in LiNbO3 and BaTiO 3 and its minor role in PbTiO3.

Original languageEnglish
Article number187401
Pages (from-to)187401-1-187401-4
JournalPhysical Review Letters
Volume93
Issue number18
DOIs
Publication statusPublished - 29 Oct 2004
Externally publishedYes

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