根据固体与分子经验电子理论，对MoSi2和WSi2的价电子结构进行了定量的分析，通过键距差方法计算了MoSi2和WSi2晶体中各键上的共价电子数。结果表明，在MoSi2和WSi2晶体中，沿<331>位向分布的Mo－Si和W－Si原子键最强，这些键上的共价电子数和键能分别影响化合物的硬度和熔点。晶体中晶格电子数影响其导电性和塑性，MoSi2晶体中含有较高密度的晶格电子，因此MoSi2的导电性和塑性比WSi2好。并从键络分布的不均匀性解释了MoSi2和WSi2脆性产生的原因。
According to the empirical electron theory of solids and molecules, the valence electron structure of MoSi2 and WSi2 were quantitatively studied, and the values of valence electrons on every bond in MoSi2 and WSi2 crystals were calculated by the method of bond length difference. The results showed that the strongest bonds in the unit cells of MoSi2 and WSi2 were Mo－Si and W－Si bond along <331> direction separately, whose valence electron numbers and the bond energy have great impact on the hardness and melting point of MoSi2 and WSi2 phases, respectively. Since the numbers of lattice electrons in a crystal influence its conductivity and plasticity, and there were lattice electrons with higher densities in MoSi2, the conductivity and plasticity of MoSi2 were better than WSi2. Also, it is infered that the brittleness of MoSi2 and WSi2 could be explained primarily by a heterogeneity of bond distribution.
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