Experimental and Theoretical Studies on (Pb_1-x Ca_x)TiO₃ Ceramics Using FTIR-Spectroscopy

The comparison between the experimental results and theoretical calculations is the essential technique for revealing the components of the bending vibration in FTIR-Spectroscopy for (Pb_1-x Ca_x)TiO₃ ceramics. In the present paper, the sample with formula (Pb_0.85 Ca_0.15)TiO₃ has the highest value of stretching frequency. This sample is characterized by remarkable parameters of crystallization and domain width. The results of FTIR-spectroscopy for the present ceramics support the model of the incorporation of Ca-ions in ceramics at Pb-site and the binomial distribution function of nine stoichiometeric species. The general formula of structure of a unit cell is {[(8-N)Pb²⁺+NCa²⁺]+Ti⁴⁺+6O^2-}, the wavenumbers associated with the bending bands correspond to the unit cell with values of N= (0, 8); (1, 7); (2, 6); (3, 5); 4 are 390; 375; 354; 325; 302 cm⁻¹, respectively.