Electronic structure and bonding in ZnS with transition metal impurities
Zhu, Liping, writer on physics
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This thesis is a study o f the electronic structure and characteristic of pure ZnS as well as ZnS with a transition-metal impurity. A simple expression which can approximately describe the potential o f the four elements Zn, Mn, Fe, and S is proposed. A model which can physically describe the electronic structure o f pure ZnS as well as ZnS with transition-metal impurities is developed. The structural parameters related to this model are calculated. Finally, this model is applied to calculate the crystal field splitting for Mn and Fe impurities in ZnS. The result is satisfactory compared to the experimental data.