Valence electron structure and properties of the ZrC_1-xN_x solid solution

The ZrC_1-xN_x permutation solid solutions have been prepared by hot-pressing of ZrC and ZrN ceramics in order to forecast the their properties. The valence electron structures have been analyzed on the base of a empirical electron theory (EET) of solids and molecules. The valence electron numbers of each bond in the solid solutions have been calculated using a bond length difference (BLD) and the parameters of valence electron structure of the solid solutions have been compared with the ZrC and ZrN matrix. The results showed that, when the ZrC and ZrN dissolved each other, the hybridization levels of the nonmetal atoms are invariable, and the other parameters changed. With the x value rises, the hybridization levels of the zirconium atoms rise form B11 to B13, the electron amount, and the bond energy on the strongest bond, and the melting points, all decrease, while the percentage of the covalent bond numbers increase, indicating the decreases of hardness, bond energy and toughness, and the increase of strength.