First-principles investigation of N－Ag co-doping effect on electronic properties in p-type ZnO

doi:10.1088/1674-1056/19/4/047101

Abstract 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.

Keywords: first-principles co-doping ZnO electronic properties

Received: 03 July 2009
Revised: 03 November 2009
Accepted manuscript online:

PACS:	71.20.Nr	(Semiconductor compounds)
	61.72.uj	(III-V and II-VI semiconductors)
	71.15.Mb	(Density functional theory, local density approximation, gradient and other corrections)
	71.15.Dx	(Computational methodology (Brillouin zone sampling, iterative diagonalization, pseudopotential construction))
	61.66.Fn	(Inorganic compounds)
	72.80.Ey	(III-V and II-VI semiconductors)

Cite this article:

Zuo Chun-Ying(左春英), Wen Jing(温静), and Bai Yue-Lei(柏跃磊) First-principles investigation of N－Ag co-doping effect on electronic properties in p-type ZnO 2010 Chin. Phys. B 19 047101

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First-principles investigation of N－Ag co-doping effect on electronic properties in p-type ZnO

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