Spin-Hamiltonian parameters of Yb³⁺ions in trigonally-distorted octahedral sites of Na₃Sc₂V₃O₁₂garnet

The spin-Hamiltonian (SH) parameters (g factors, g ¶ and g ⊥, and hyperfine structure constants, 171 A ¶, 171 A ⊥, 173 A ¶ and 173 A ⊥) for Yb3+ ions in trigonally-distorted octahedral sites of Na3Sc2V3O12 garnet were calculated from a complete diagonalization (of energy matrix) method (CDM) concerning 4f13 ions in trigonal symmetry. In the method, the Zeeman and hyperfine interaction terms are added to the Hamiltonian in the conventional CDM and the crystal-field parameters are estimated from the empirical superposition model. From the calculations, these SH parameters are explained reasonably. The defect structure of Yb3+ impurity centres in Na3Sc2V3O12 garnet and the signs of 171 Ai (i = ¶ or ⊥) and 173 Ai are also suggested. The intrinsic parameters in the superposition model obtained in the studied system show that > > . This point is consistent with the intrinsic parameters obtained for many rare earth ion systems and can be regarded as suitable.