Reference : Finite-size effects in BaTiO3 nanowires
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Physics
http://hdl.handle.net/2268/31092
Finite-size effects in BaTiO3 nanowires
English
Geneste, G. [> > > >]
Bousquet, Eric mailto [Université de Liège - ULg > Département de physique > Physique théorique des matériaux >]
Junquera, J. [> > > >]
Ghosez, Philippe mailto [Université de Liège - ULg > Département de physique > Physique théorique des matériaux >]
2006
Applied Physics Letters
American Institute of Physics
88
112906
Yes (verified by ORBi)
International
0003-6951
Melville
NY
[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.
Researchers ; Professionals
http://hdl.handle.net/2268/31092
10.1063/1.2186104

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