Analysis of Valence Electronic Structures of TiB_2 and Other C_(32) Type Compounds

The electronic structure of such highcapability materials as TiB 2 is studied on the basis of transitional metal compound binding energy and melting point theory, which was presented by Xu Wan dong and Yu Rui huang, and the empirical electron theory (EET) also presented by Professor Yu. It is found that the melting points of borides of IVB and VB group elements are higher than their simples. It is because their hybridization levels are higher, and their single bond radius are shorter. The relations between hybridization levels and melting points show that EET can guide the material design. And the analysis of the other kinds of complex crystals cannot be achieved by other traditional solid theory.