@inproceedings{b09cdf74057e44e4a4a2ade77f46fdfd,
title = "First-principles investigation on Ag, N codoped in p-type ZnO",
abstract = "The geometric structure, band structure and density of state of pure and Ag-N, Ag-2N codoped wurtzite ZnO have been investigated by first-principles ultrasoft pseudopotential method in the generalized gradient approximation. These structures induce fully occupied defect states above the valence-band maximum of bulk ZnO. The calculation results show that the codoped structure Ag-N has better stability. Meanwhile, the carrier concentration is increased in the Ag-2N codoped configuration where the delocalized features are obvious. Our findings suggest that codoping of Ag-2N could efficiently enhance the N dopant solubility and is likely to yield better p-type conductivity.",
keywords = "Electronic structures, First-principles, ZnO",
author = "Cheng He and Wenxue Zhang and Li Duan and Qingwei Li and Zhongqi Shi",
year = "2012",
doi = "10.4028/www.scientific.net/MSF.724.115",
language = "英语",
isbn = "9783037854396",
series = "Materials Science Forum",
publisher = "Trans Tech Publications Ltd",
pages = "115--118",
booktitle = "Eco-Materials Processing and Design XIII",
note = "13th International Symposium on Eco-Materials Processing and Design, ISEPD 2012 ; Conference date: 07-01-2012 Through 10-01-2012",
}