The impurity states of a single Cr and ;\ln atom in a simulated ZnO crystal are calculat.ed by using the real space recursive Green’ s function and Linear hIuffm-Tin Orbit& method. The results show that most of the impurity states are in the ZnO band gap and could significantly affect the conduction of a ZnO-based varistor.
Relation:
Chinese Journal of Physics, Vol.33, No.2, pp.153-158
