Reference : First-principles study of the electro-optic effect in ferroelectric oxides
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Physics
http://hdl.handle.net/2268/30984
First-principles study of the electro-optic effect in ferroelectric oxides
English
Veithen, M. [> > > >]
Gonze, X. [> > > >]
Ghosez, Philippe mailto [Université de Liège - ULiège > Département de physique > Physique théorique des matériaux >]
2004
Physical Review Letters
American Physical Society
93
187401
Yes (verified by ORBi)
International
0031-9007
1079-7114
Ridge
NY
[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.
Researchers ; Professionals
http://hdl.handle.net/2268/30984
10.1103/PhysRevLett.93.187401

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