Finite-size effects in BaTiO3 nanowires

Details Finite-size effects in BaTiO3 nanowires Finite-size effects in BaTiO3 nanowires

2005-03-15

arxiv.org/abs/cond-mat/0503362v2

Physics

Condensed Matter

Materials Science

3 pages, 3 figures. Accepted in Applied Physics Letters

Scientific paper

10.1063/1.2186104

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 1.2 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.

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