First principles calculation of Ga-N codoped wurtzite ZnO

Author

Zhou, Changjie ; Kang, Junyong

Author_Institution

Dept. of Phys., Xiamen Univ., China

fYear

2004

fDate

20-25 Sept. 2004

Firstpage

81

Lastpage

84

Abstract

The electronic structures of N single-doped and Ga-N codoped wurtzite ZnO have been studied using first-principles density-functional theory. The calculated total and site-decomposed densities of states distinctly show a new peak of N-related states near the top of valence band in both doped cases. Comparing to the case of N single-dopant, average hole effective masses are much lower when Ga-N codoping is used. This indicates that the p-type conductivity of Ga-N codoped ZnO can be enhanced much more effectively.

Keywords

II-VI semiconductors; ab initio calculations; density functional theory; electrical conductivity; electronic density of states; gallium; impurity states; nitrogen; semiconductor doping; valence bands; wide band gap semiconductors; zinc compounds; Ga-N codoped wurtzite ZnO; ZnO:Ga,N; density functional theory; density of states; electronic structures; first principles calculation; hole effective masses; p-type conductivity; valence band; Bonding; Conductivity; Effective mass; Impurities; Lattices; Nearest neighbor searches; Photonic band gap; Power system reliability; Semiconductor device packaging; Zinc oxide;

fLanguage

English

Publisher

ieee

Conference_Titel

Semiconducting and Insulating Materials, 2004. SIMC-XIII-2004. 13th International Conference on

Print_ISBN

0-7803-8668-X

Type

conf

DOI

10.1109/SIM.2005.1511391

Filename

1511391