Finite-size effects in BaTiO3 nanowires
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 result...
| Autores: | , , , |
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| Tipo de documento: | artigo |
| Data de publicação: | 2006 |
| País: | España |
| Recursos: | Universidad de Cantabria (UC) |
| Repositório: | UCrea Repositorio Abierto de la Universidad de Cantabria |
| Idioma: | inglês |
| OAI Identifier: | oai:repositorio.unican.es:10902/4175 |
| Acesso em linha: | http://hdl.handle.net/10902/4175 |
| Access Level: | Acceso aberto |
| Palavra-chave: | Nanowires Ozone Ferroelectric thin films Lattice constants Ferroelectricity Polarization Ferroelectric devices Surface phase transitions Surface states Thin film structure |
| Resumo: | 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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