Finite-size effects in BaTiO3 nanowires
arXiv:cond-mat/0503362 · doi:10.1063/1.2186104
Abstract
The size dependence of the ferroelectric properties of BaTiO 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.
3 pages, 3 figures. Accepted in Applied Physics Letters