Publication No.7 H. Pinto, A. Stashans, P. Sánchez. Theoretical studies of impurity doped and undoped BaTiO3 and SrTiO3 crystals - In Defects and Surface- Induced Effects in Advanced Perovskites, Ed. G. Borstel, NATO Science Series, High Technology, 2000, Vol. 77, p. 67-72. Abstract: The BaTiO3 and SrTiO3 crystals have many technological applications due to their unusual magnetic and dielectric properties. Using the modified for crystals INDO method which had shown reliability in a number of applications, we study self-trapped and impurity-trapped polarons in cubic lattice of both materials as well as La-doping in the SrTiO3 crystal. The obtained results are discussed in terms of the available experimental data.
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