The Theoretical Foundation And Current Situation Of The Research On Optical And Magnetic Properties Of 3d Transition-metal Ions

As one kind of active metal ions,V²⁺, Cr²⁺, Cr3+, Mn²⁺, Mn3+, Fe²⁺, Fe3+, Co²⁺, Ni²⁺ and Cu²⁺ are best studied in the 3d transition -metal ions research, the optical and magnetic properties of the crystals which contains these metal ions almost depend on the ions. These ions which were doped into other crystals always greatly change the physical and chemical properties of original crystals, so they are hot studied experimentally and theoretically.This thesis introduces the theory foundation of the research of the optical and magnetic properties of the crystals which contains these metal ions,and it analyzes the difficulties encountered in the research of the covalent crystals especially of the semiconductors with the crystal-field theory, and comments the double spin-orbit coupling model and molecular orbit model established based on the ligand-field theory, and discusses the results and difficulties of the research of the optical and magnetic properties, such as optical absorption spectra, EPR spectra, Zeeman spectra, susceptibility, magnetization,magnetic specific heat, and so on. In addition, this thesis puts forward the prospects of the future research about some kinds of special optical and magnetic properties of the ions in the crystal.This thesis derives the expressions of the EPR g factor of 3d1/3d9 ions in a tetragonal crystal field by using double spin-orbit coupling model and Macfarlance perturbation method, and involves the metal ion and the Ligand SO coupling parameters. And these formulae are applied to ERP experimental result of NH 4 X ( X = Cl , Br , I): Cu ²⁺ ,the theoretical results are in good agreement with the experimental data. It can be seen that with the increase of the spin-orbit coupling constant of the ligand, the contribution of the ligand to the system increases.