Theoretical Studies of Impurity Doped and Undoped BaTiO3 and SrTiO3 Crystals

The BaTiO3 and SrTiO3 crystals have many technological applications due to their unusual magnetic and dielectric properties. Using the INDO method modified for crystals which had shown reliability in a number of applications, we study self-trapped and impurity-trapped polarons in cubic lattices of both materials and La-doping of the SrTiO3 crystal. The obtained results are discussed in terms of the available experimental data.