三元合金异质结(AlP)x(Si2)1-x/GaP和(GaP)x(Si2)1-x/GaP的价带带阶

三元合金异质结(AlP)_x(Si₂)_1-x/GaP和(GaP)_x(Si₂)_1-x/GaP的价带带阶

摘要: 采用基于LMTO-ASA的平均键能计算方法和原子集团展开方法,研究了两组晶格匹配三元合金异质结(AlP)_x(Si₂)_1-x/GaP和(GaP)_x(Si₂)_1-x/GaP的价带带阶ΔE_v(x)值。研究表明,两组异质结的ΔE_v(x)值随合金组分x的变化都是非线性的,且表现出非单调的关系。

Abstract: The valence band offsets ΔE_v(x) as a function of the alloy compositon x of two typical lattice matched ternary alloy heterojunctions (AlP)_x(Si₂)_1-x/GaP and (GaP)_x(Si₂)_1-x/GaP are studied by using the average bond energy theory in conjunction with the cluster expansion method.It is shown that the variations of ΔE_v(x) at (AlP)_x(Si₂)_1-x/GaP and (GaP)_x(Si₂)_1-x/GaP are nonlinear and non monotonous.The calculated results of ΔE_v are in very good agreement with the data previously reported.