We use molecular dynamics simulations to understand the mechanisms of polarization switching in ferroelectric BaTiO3 achieved with external electric field. For tetragonal and orthorhombic ferroelectric phases, we determine the switching paths, and show that polarization rotation through intermediate monoclinic phases (a) facilitates switching at low fields (b) is responsible for a sharp anisotropy in polarization switching. We develop understanding of this through determination of detailed electric field-temperature phase diagrams, that are fundamental to technological applications based on electromechanical and switching response of ferroelectrics.
@article{arxiv.0809.2951,
title = {Polarization Rotation, Switching and E-T phase diagrams of BaTiO$_3$: A Molecular Dynamics Study},
author = {Jaita Paul and Takeshi Nishimatsu and Yoshiyuki Kawazoe and Umesh V. Waghmare},
journal= {arXiv preprint arXiv:0809.2951},
year = {2009}
}