Abstract

The ferroelectric-paraelectric phase transition in BaTiO 3 is discussed quantitatively from the microscopic free energy based upon the statistical method of the mean field approximation, where only the Ti ions situated at the center of the lattice are assumed to have the spontaneous shift. It is shown that the result of the “first order” phase transition is obtained if the effect of the spontaneous lattice deformation is taken into account in a proper way when making the potential acting on the Ti ions. Moreover it is shown that this microscopic free energy can be translated to the macroscopic free energy based upon the phenomenological theory. Through the comparison between these two types of free energies it is possible to understand better the mechanism of the ferroelectric-paraelectric phase transition.

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