The effect of sulfur on the electrical properties of S and N co-doped ZnO thin films: experiment and first-principles calculations.

P-type sulphur-nitrogen (S-N) co-doped ZnO thin films are deposited and the effect of sulphur on the electrical properties is discussed. First-principles calculations indicate that the structure is most stable when the S atom is close to the N atom in the (0002) plane, implying that dual-doped ZnO is relatively feasible to approach. The partial density of states of S-N co-doped ZnO shows that the S impurity plays a vital role in forming the p-type conductivity.