Finite-size effects in BaTiO3 nanowires

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URI: http://hdl.handle.net/10902/4175
ISSN: 0003-6951
ISSN: 1077-3118
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Author
Geneste, Grégory; Bousquet, Eric; Junquera Quintana, Francisco JavierAutoridad Unican; Ghosez, Philippe
Date
2006-03
Derechos
© 2006 American Institute of Physics
Publicado en
Applied Physics Letters, vol. 88, iss. 11, art. num. 112906 (2006)
Publisher
American Institute of Physics
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Palabras clave
Nanowires
Ozone
Ferroelectric thin films
Lattice constants
Ferroelectricity
Polarization
Ferroelectric devices
Surface phase transitions
Surface states
Thin film structure
Abstract:
The size dependence of the ferroelectric properties of BaTiO 3 nanowires is studied from first principles. We show that the ferroelectric distortion along the wire axis disappears below a critical diameter of about 1.2nm . This disappearance is related to a global contraction of the unit cell resulting from low atomic coordinations at the wiresurface. It is shown that a ferroelectric distortion can be recovered under appropriate tensile strain conditions.
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