Tóm tắt
AbstractGeneral formulation of overlap and covalency effects for parameters D, E in the spin‐Hamiltonian of S‐state ions using the independent bond approach is developed. The model may be applied to complexes with both arbitrary coordination number and positions of ligands. All local, nonlocal, and distant terms of spin‐spin and spin‐orbit interactions are computed and used both for comparison with previous works on the Mn2+ ion with fluorine ligands and for discussion of the origin of the parameter D of octahedral Mn2+ and Fe2+ ions in garnets. Some of the errors and improper approximations appearing in various papers are discussed.
