摘要
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.
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 In x Al 1 x N,In x Ga 1 x N and Al x Ga 1 x N 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 In x Al 1 x N.In addition,our model can also be used to describe the composition dependence of band gap energy of other III-V ternary alloys.
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)
