Abstract
The ceramics of spinel zinc orthotitanate (SZT) and perovskite zinc metatitanate (PZT) sintered at $$800^{\circ }\hbox {C}$$ have been prepared using the high-energy ball milling technique. The structural and optical characterisation of the prepared samples has been performed using X-ray diffraction and Fourier transformation of infrared (FT-IR) spectroscopy analysis. The measurements of frequency-dependent dielectric constant of the PZT and SZT ceramics sintered at $$800^{\circ }\hbox {C}$$ have been performed in the $$(50{-}600)^{\circ }\hbox {C}$$ temperature range. Impedance spectroscopy studies have been reported for the prepared nanocrystalline ceramics. The empirical vibrational frequencies observed from the FT-IR spectra have been compared using the computational method of ORCA program package. Constraints for symmetry, bonds, angles or dihedral angles have not been applied in the geometry optimisation calculations. Hybrid three-parameter exchange-correlation functional of Becke, Lee, Yang, Parr with 20% amount of exact exchange and Ahlrichs triple-zeta valence (def2-TZVP) basis set with polarisation function have been investigated for all atoms without considering the relativistic effects.
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