VC、NbC、TaC 的价电子结构及其本质硬度

RESEARCH ON THE VALENCE ELECTRON STRUCTURES OF VC,NbC,TaC PHASES AND THEIR EIGEN HARDNESS

根据固体与分子经验电子理论对ＶＣ、ＮｂＣ、ＴａＣ相的价电子结构进行了定量分析，通过键距差（ＢｏｎｄＬｅｎｇｔｈＤｉｆｅｒｅｎｃｅ）方法计算了ＶＣ、ＮｂＣ、ＴａＣ晶体中各键上的共价电子数。结果表明，ＶＣ、ＮｂＣ、ＴａＣ中，晶体是靠键距为ａ２的Ｍｅ－Ｃ原子最强键连接的，且该最强键是对称分布的，从而解释了ＶＣ、ＮｂＣ、ＴａＣ相本质高硬度的产生原因。

The valence electron structures of VC,NbC and TaC phases were studied on the basis of Yu's empirical electron theory of solids and molecules.The values of valence electrons on each bond in crystal were calculated by using the method of bond length difference (BLD).The results showed that the bonds between the nearest Me—C atoms with the bond length valuea2 were the strongest ones,and they distributed symmetrically.This explained the generating reason of eigen high hardness of VC,NbC and TaC phases.