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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.
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ECO-MATERIALS PROCESSING AND DESIGN XIII
ISSN: 0255-5476
Year: 2012
Volume: 724
Page: 115-+
Language: English
0 . 3 9 9
JCR@2005
JCR Journal Grade:2
Cited Count:
WoS CC Cited Count: 0
SCOPUS Cited Count:
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 3
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