Based on the modification of the simplified coherent potential approximation （SCPA）, a model is developed to calculate the composition dependence of the band gap energy of Ⅲ-V ternary alloys with the same anion. Th...Based on the modification of the simplified coherent potential approximation （SCPA）, a model is developed to calculate the composition dependence of the band gap energy of Ⅲ-V ternary alloys with the same anion. The derived equation is used to fit the experimental band gap energy of InxAl1-xN, InxGa1-xN and A1xGal xN with x from 0 to 1. It is found that the fitting results are better than those done by using SCPA. The fitting results are also better than those obtained by using the formula with a small bowing coefficient, especially for InxAl1-xN. In addition, our model can also be used to describe the composition de- pendence of band gap energy of other Ⅲ-V ternary alloys.展开更多
基金supported by the Special Funds for Major State Basic Research Project (Grant No. 2011CB301900)the National Natural Science Foundation of China (Grant No. 60990311)
文摘Based on the modification of the simplified coherent potential approximation （SCPA）, a model is developed to calculate the composition dependence of the band gap energy of Ⅲ-V ternary alloys with the same anion. The derived equation is used to fit the experimental band gap energy of InxAl1-xN, InxGa1-xN and A1xGal xN with x from 0 to 1. It is found that the fitting results are better than those done by using SCPA. The fitting results are also better than those obtained by using the formula with a small bowing coefficient, especially for InxAl1-xN. In addition, our model can also be used to describe the composition de- pendence of band gap energy of other Ⅲ-V ternary alloys.
