Abstract
Two types of Ti 3+-related centers are identified in KTa 0.9Nb 0.1O 3 by the electron spin resonance. The centers are attributed to Ti 3+–V O (oxygen vacancy) and Ti 3+–V O–Nb 5+, respectively. Both centers have an axial symmetry, and the g-factor values analysis has shown that the 3d 1 electron occupies a (3 z 2– r 2) orbital. This ground state corresponds to the lattice relaxation when Ti 3+ is shifted towards V O, as it follows from the calculation in the point-ion crystal field approximation. Some recent results of computer modeling of transition-metal ion–oxygen vacancy (Me–V O) type defects in perovskites are discussed as well.
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