Modelization of the Spontaneous Polarization in a 1-Dimensional Ferroelectric

In the present study, we propose to model a 1-dimensional ferroelectric using numerical simulation of the material's microscopic properties and relate the results to the macroscopic behavior of the ferroelectric. The model presented considers thermodynamic and electrostatic interactions and concerns a perovskite type single crystal material. The polarization evolution under the action of a temperature gradient is calculated; the results are fit to the classic Merz experience of single domain BaTiO 3 crystals. Considering a ferroelectric with bare surfaces or with conducting electrodes, we are particularly interested in the stability of a given domain configuration with and without external constraint.