Nitrogen doping in ZnSe and ZnTe

Abstract

We present a theoretical investigation and discussion of N doping in ZnSe and ZnTe, based on first-principles calculations. We find that the experimentally observed trend in doping efficiency can be attributed to the higher solubility of N in ZnTe. We also discuss the potential formation of complexes between the N acceptor and native defects, the change in lattice constant of ZnSe due to heavy N doping, and some problems associated with N as an acceptor dopant. © 1995.