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 i...

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Veröffentlicht in:Physical chemistry chemical physics : PCCP 2015-07, Vol.17 (26), p.16705-16708
Hauptverfasser: Niu, Wenzhe, Xu, Hongbin, Guo, Yanmin, Li, Yaguang, Ye, Zhizhen, Zhu, Liping
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Sprache:eng
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Zusammenfassung: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.
ISSN:1463-9076
1463-9084
DOI:10.1039/c5cp02434j