Experimental and theoretical study of the ferroelectric and piezoelectric behavior of strontium-doped PZT

Theoretical data using ab initio perturbed ion calculation were compared wi th ferroelectric and piezoelectric experimental data of strontium doped PZT . Various concentrations of SrO in PZT at constant temperature and sinterin g time were carried out. Experimental results, such as the remanent polariz ation, P-R of 6.9-8.9 muC/Cm-2, the coercive field, E-C of 6.6-7.8 kVcm, an d the planar coupling factor, Kp of 0.45-0.53, were compared with the energ y of Zr4+ and Ti4+ ion dislocation and the lattice interaction energy which show that strontium increment in PZT alter the energies and increase the v alues of piezoelectric and ferroelectric variables. Calculations of lattice energy of the rhombohedral phase show that a phase non-stability is coinci dent with increasing experimental values of the P-R, E-C and Kp. (C) 2001 E lsevier Science Ltd. All rights reserved.