First-principle study on the effect of high Ag–2N co-doping on the conductivity of ZnO
发布时间：2025-04-30
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- 发布时间：
- 2025-04-30
- 论文名称：
- First-principle study on the effect of high Ag–2N co-doping on the conductivity of ZnO
- 发表刊物：
- BULLETIN OF MATERIALS SCIENCE
- 摘要：
- The geometric structure, band structure (BS) and density of state (DOS) of pure and p-type co-doping
wurtzite ZnO have been investigated by the first-principle ultrasoft pseudopotential method with the generalized
gradient approximation. These structures induce fully occupied defect states above the valence-band maximum
of doped ZnO. The calculation results show that in the range of high doping concentration, when the co-doping
concentration is more than a certain value, the conductivity decreased with the increase of co-doping concentration
of Ag–2N in ZnO. Our findings suggest that co-doping of Ag–2N could efficiently enhance the N dopant solubility
and is likely to yield better p-type conductivity.
- 合写作者：
- W. X. Zhang, Y. X. Bai, C. He, X. L. Wu
- 卷号：
- 38,747
- 是否译文：
- 否
- 发表时间：
- 2015-07-01