Band gap energy of the dilute oxygen CdxZn1-xOyTe1-y

The main problem in investigating the band gap energy of the dilute oxygen CdxZn1-xOyTe1-y is how to set up a model to predict its band gap energy in a wide composition range. In this work, a model predicting the band gap energy of the dilute oxygen CdxZn1-xOyTe1-y is established. The result shows that the model can offer an excellent estimation. Three findings are as follows. (1) Incorporating Cd fraction in the dilute oxygen ZnOyTe1-y alloy can lower the Г CBM of CdxZn1-xOyTe1-y, resulting in a complex alteration of the coupling interaction between the oxygen level and the Г CBM of CdxZn1-xTe. (2) The variations of the cation and anion fractions influence the different parts of the parameter which describes the coupling interaction. (3) The localized oxygen level can not only be lined up in the common-cation systems, but also be lined up in common-anion systems if the small location differences in the different host materials are ignored.