Abstract
ABSTRACT Using numerical simulation of ferroelectric microscopic properties, we propose to model a 1-D BaTiO3 single crystal and to relate the results to macroscopic behaviour. The model takes into account thermodynamic and electrostatic interactions. We first summarize the results concerning the determination of the dipole charge and then examine the stability for mono-domain and multi-domain sample configurations. The dipole stability under an applied external electric field is discussed, and we finally introduce the semiconductor properties of the ferroelectric material in order to understand the influence of impurity density on dipole switching.
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