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First-principles investigation of N-Ag co-doping effect on electronic properties in p-type ZnO 下载免费PDF全文
The geometric structure, band structure and density of
states of pure, Ag-doped, N-doped, and N--Ag codoped wurtzite ZnO
have been investigated by the first-principles ultra-soft
pseudopotential method based on the density functional theory. The
calculated results show that the carrier concentration is increased
in the ZnO crystal codoped by N and Ag, and the codoped structure is
stable and is more in favour of the formation of p-type ZnO. 相似文献
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