Hyperfine Interactions on Magnetic Ions Nuclei in Titanates

Abstract

The electric and magnetic hyperfine interaction parameters (υQ, η, Hc) on 47,49Ti nuclei in lanthanum and yttrium titanates were calculated in the cluster model by the unrestricted Hartree-Fock method. The calculation in the cluster approach describes the experimental data better than that in the frameworks of LDA and LDA+U model and modern crystal-field theory.