Cluster Model for p-Type Doping of ZnSe
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Abstract
Cluster model with DV-Xα method is used to study the structural and electronic properties of the p-type doping of ZnSe. It is found that there is Jahn-Teller distortion for P doping and almost no Jahn-Teller distortion for N doping, and that the impurity levels with respect to the maximum of valence band are 118 and 96meV for N and P doping, respectively. The reasons why N can serve as a better dopant than P for p-type ZnSe are discussed.
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