Computer calculated F–P diagram for the BaTiO3PbTiO3 system

Abstract

The F–P diagram of the BaTiO3PbTiO3 system is computer calculated starting with the thermodynamical data of the components. Using an ideal solubility for the cubic phase and a regular solubility for the tetragonal phase, the F–P diagram obtained after taking the interaction parameter αF as 2000 J/mol, meets best the experimental data. Estimation of the ferroelectric interaction energy relying on the spontaneous polarization of BaTiO3 and PbTiO3 lead to a value close to αF thermodynamically calculated.