Study on the Interaction Potential of CdSe
CdSe的相互作用势研究

A new simpler potential function based on the Bonn-Mayn model is proposed for CdSe crystal. The phase transition of CdSe from four-near-neighbor wurtzite structure to six-near-neighbor Rocksalt structure,which is produced by pressure,is studied. The inter-potential which is similar to the Bonn-Mayn model and is to be used for indicating the characteristics of CdSe,is investigated.The characteristics of alkali halide with six matched neighbors can be calculated successfully using this inter-potential,and at the same time the three crystal structures of CdSe can be described efficiently.The three structures characterized by the inter-potential are wurtzite structure,zinc blende structure,and Rocksalt structure.The transition pressure and the state function elicited by the model are in accord with the experimental data.The Hamaker constant was calculated to be 0.388eV by using the dispersiveness factor in the new potential function.The results of several alkali halides calculated by Lifshitz theory were compared with those of the Micro size theory.The results indicate that the interaction among multiple ionic compound objects in Lifshitz theory has been embodied efficiently in the simpler potential function advanced in this thesis. This shows that it is accurate enough to deal with the potential between ions using this potential model.The calculations also show that the multi-effect existing in ionic compounds can be ignored;the long-distance dispersiveness action also can be described by the Fanderwer's interaction given out by the crystal lattice dynamics.