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采用基于LMTO－ASA的平均键能计算方法和原子集团展开方法，研究了三组典型的晶格匹配三元合金异质结（GaAs）x（Ge2）1-x／GaAs，（AlAs）x（Ge2）1-x／GaAs和AlxGa1-xAs／GaAs的价带带阶△Ev（x）值。研究表明：AlxGa1-xAs／GaAs异质结的Mv（x）值随合金组分x的变化接近于线性；（GaAs）x（Ge2）1-x／GaAs和（AlAs）x（Ge2）1-x／GaAs的△Ev（x）值随合金组分x的变化是非线性的。△Ev（x）的理论计算值与实验结果相当符合。
Three groups of typical lattice-matched ternary alloy heterojunction (GaAs) x (Ge2) 1-x / GaAs, (AlAs) x Ge2) valence band level △ Ev (x) values of 1-x / GaAs and AlxGa1-xAs / GaAs. The results show that the Mv (x) value of AlxGa1-xAs / GaAs heterostructures is nearly linear with the variation of the alloy composition x; (GaAs) x (Ge2) 1-x / GaAs and (AlAs) x The ΔEv (x) value of x / GaAs is non-linear with the variation of the alloy composition x. The theoretical value of ΔEv (x) is in good agreement with the experimental result.