Abstract
A mechanism of the off-center impurity-ion behavior induced by the quadratic Jahn-Teller effect on polar distortions and (or) joint action of the local electrostriction and linear Jahn-Teller effect on nonpolar distortions is proposed. The off-center behavior of Ni5+ and Fe4+ ions in the incipient ferroelectric KTaO3 is substantiated. It is shown that, in the limit of neglecting the correlation between off-center Li+ ions, their displacements from KNbO3 lattice sites decrease, whereas, under the conditions of strong correlation, a critical increase in their displacements from lattice sites occurs with approaching the Curie point.
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