Edge and finite size effects in polycrystalline ferroelectrics

This paper proposes a method to engineer the effects of mesa aspect ratio on polarization switching for single-crystal and polycrystalline PZT nanostructures. The out-of-plane polarization switching of single-crystal and polycrystalline structures as a function of crystallographic orientation, epitaxial strain and mesa aspect ratio are explored. The results are summarized in terms of the mesa geometrical parameters, crystallographic orientation and expitaxial strain. The results demonstrate a strong correlation of single-crystal properties to the polarization hysteresis behavior of a central representative grain in a polycrystalline film. The average remnant polarization and its reliability are controlled through the aspect ratio of the mesa. Calculations demonstrate that the stresses at the edges are relaxed for film height, hf, to mesa width, w, ratios hf/w ⩽ 1 × 10−4. For hf/w ⩾ 1 × 10−2, the effective in-plane stress is relaxed throughout the deposited film. Moreover, the effective stresses at the center of the mesa are 15% of the stresses of an infinite film.