Ferroelectricity in BaTiO3 nanoscopic structures

STACHIOTTI, MARCELO

APPLIED PHYSICS LETTERS

American Institute of Physics

Año: 2004 vol. 84 p. 251 - 253

0003-6951

The ground-state polarization of BaTiO3 nanosized films and cells is studied using an atomic-level simulation approach based on a shell model with parameters obtained from first-principles calculations.We demonstrate that the critical thickness for ferroelectricity in a free-standing BaTiO3 simulation approach based on a shell model with parameters obtained from first-principles calculations.We demonstrate that the critical thickness for ferroelectricity in a free-standing BaTiO3 stress-free film is 3.6 nm, and a decrease in lateral size to nanometric dimensions does not spoil the ferroelectric properties of the film. Nanocells with different lateral faces, BaO or TiO2 planes, present a different domain structure and polarization due to a strong surface effect.present a different domain structure and polarization due to a strong surface effect.stress-free film is 3.6 nm, and a decrease in lateral size to nanometric dimensions does not spoil the ferroelectric properties of the film. Nanocells with different lateral faces, BaO or TiO2 planes, present a different domain structure and polarization due to a strong surface effect.present a different domain structure and polarization due to a strong surface effect.