Comparisons of ZnO codoped by group IIIA elements (Al, Ga, In) and N: a first-principle study

doi:10.1088/1674-1056/19/11/117102

Abstract The electronic structures and effective masses of the N mono-doped and Al–N, Ga–N, In–N codoped ZnO system have been calculated by a first-principle method, and comparisons among different doping cases are made. According to the results, the impurity states in the codoping cases are more delocalised compared to the N mono-doping case, which means a better conductive behaviour can be obtained by codoping. Besides, compared to the Al–N and Ga–N codoping cases, the hole effective mass of In–N codoped system is much smaller, indicating the p-type conductivity can be more enhanced by In–N codoping.

Keywords: first-principles ZnO conductivity doping

Received: 18 April 2010
Revised: 25 June 2010
Accepted manuscript online:

PACS:	61.72.uj	(III-V and II-VI semiconductors)
	71.15.-m	(Methods of electronic structure calculations)
	71.18.+y	(Fermi surface: calculations and measurements; effective mass, g factor)
	71.20.Nr	(Semiconductor compounds)
	71.55.Gs	(II-VI semiconductors)
	72.80.Ey	(III-V and II-VI semiconductors)

Fund: Project supported by the Special Foundation for Young Scientists of Anhui Province, China (Grant No. 2009SQRZ097ZD) and the Foundation of Anhui University of Architecture (Grant No. 20070601).

Cite this article:

Li Ping(李平), Deng Sheng-Hua(邓胜华), Zhang Li(张莉), Yu Jiang-Ying(余江应), and Liu Guo-Hong(刘果红) Comparisons of ZnO codoped by group IIIA elements (Al, Ga, In) and N: a first-principle study 2010 Chin. Phys. B 19 117102

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Comparisons of ZnO codoped by group IIIA elements (Al, Ga, In) and N: a first-principle study

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