Finite-size effects in BaTiO3 nanowires

[en] The size dependence of the ferroelectric properties of BaTiO3 nanowires is studied from first principles. We show that the ferroelectric distortion along the wire axis disappears below a critical diameter of about 1.2 nm. This disappearance is related to a global contraction of the unit cell resulting from low atomic coordinations at the wire surface. It is shown that a ferroelectric distortion can be recovered under appropriate tensile strain conditions. (c) 2006 American Institute of Physics.

Disciplines :

Physics

Author, co-author :

Geneste, G.

Bousquet, Eric ; Université de Liège - ULiège > Département de physique > Physique théorique des matériaux

Junquera, J.

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

Language :

English

Title :

Finite-size effects in BaTiO3 nanowires

Publication date :

2006

Journal title :

Applied Physics Letters

ISSN :

0003-6951

eISSN :

1077-3118

Publisher :

American Institute of Physics, Melville, United States - New York

Volume :

Pages :

112906

Peer reviewed :

Peer Reviewed verified by ORBi

Available on ORBi :

since 02 December 2009

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115

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107

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Bibliography

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