Specific features of magnetic and electrical hyperfine interactions in titanates according to ab initio calculations

Ab initio calculations of the parameters of magnetic and electrical hyperfine interactions at the nuclei of magnetic ions 47,49Ti and nonmagnetic ions 139La and 89Y have been performed in the model of a periodic crystal and in the cluster model for lanthanum and yttrium titanates. A comparison has been performed with experimental data and with the results of calculations in the model of crystalline field and with data from calculations in the LDA and LDA + U approximations.