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以虚晶近似(VCA)为零级近似,计入相干势近似(CPA)修正,使用由原子轨道的Bloch和为基的紧束缚方法(LCAO)计算了A_xB_(1-x)型合金GaAs_xP_(1-x)的能隙E_g随浓度x的变化.所得结果与实验符合很好.该方法也可用于其他任意的A_xB_(1-x)型合金,并能计算能带结构及态密度等别的量.
(VCA) is a zero-order approximation, which is included in the correction of coherent potential approximation (CPA). The GaAs_xP_ (1-x) alloy of A_xB_ (1-x) alloy has been calculated using the Bloch and Tight Binding Method (LCAO) 1-x) of the energy gap E_g with the concentration of x changes. The obtained results in good agreement with the experiment. This method can also be used for any other A_xB_ (1-x) type alloy, and can calculate the band structure and density of states The amount of.