What causes N-doping differences among ZnO, ZnSand ZnTe?

摘要

We investigated electronic structures using ab-initio electronicband-structure-calculations method and estimated the energies loweringfrom ionic polarization for N-doped ZnO, ZnS and ZnTe. We find thelocalized N-impurity states and the large energies described above forZnO and ZnS compared with that for ZnTe. For the realization ofdelocalized N-impurity states for ZnO and ZnS, we propose a co-dopingmethod using N-acceptors and donors as reactive co-dopantssimultaneously.