Polarization Rotation, Switching and E-T phase diagrams of BaTiO$_3$: A Molecular Dynamics Study

Details Polarization Rotation, Switching and E-T phase diagrams of BaTiO$_3$: A Molecular Dynamics Study Polarization Rotation, Switching and E-T phase diagrams of BaTiO$_3$: A Molecular Dynamics Study

2008-09-17

arxiv.org/abs/0809.2951v1

Physics

Condensed Matter

Materials Science

Scientific paper

10.1063/1.3040326

We use molecular dynamics simulations to understand the mechanisms of polarization switching in ferroelectric BaTiO$_3$ 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.

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