Point defects in ferroelectrics with perovskite structure |
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Authors: | O. E. Kvyatkovskii |
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Affiliation: | 1.Ioffe Physicotechnical Institute,Russian Academy of Sciences,St. Petersburg,Russia |
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Abstract: | First-principle calculations of the geometry and electronic structure of lattice defects (substituents, vacancies, and binary complexes) in perovskites are considered. A supercell method and modifications of a cluster method for simulating point lattice defects in insulators are discussed. Experimental data on dielectric relaxation in magnesium- and manganese-doped strontium titanate and possible mechanisms of the formation of reorientable polar defects are considered. |
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