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Proceedings Paper

Ab inito study of Ag-related defects in ZnO
Author(s): Qixin Wan; Zhihua Xiong; Dongmei Li; Guodong Liu
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Paper Abstract

Using first-principles calculations, we investigated the structure and electronic properties of Ag-related defects in ZnO. The calculation results indicate that AgZn behaves as acceptor. Simultaneously, by comparing the formation energy and electronic structure of Ag-related defects in ZnO, Oi-AgZn behaves as acceptor in Ag-doped ZnO and it is better to gain p-type ZnO. However, Hi-AgZn complex has the lowest formation energy. Thus, the formation of the other point defects is greatly suppressed by the formation of Hi in Ag-doped ZnO. Moreover, the H atoms can be easily dissociated from hydrogen-passivated complexes by post-annealing at moderate temperatures, thus, codoping Ag with H may be a good method to achieve p-type in Ag-doped ZnO.

Paper Details

Date Published: 20 February 2009
PDF: 7 pages
Proc. SPIE 7279, Photonics and Optoelectronics Meetings (POEM) 2008: Optoelectronic Devices and Integration, 72790X (20 February 2009); doi: 10.1117/12.821585
Show Author Affiliations
Qixin Wan, Jiangxi Science & Technology Normal Univ. (China)
Zhihua Xiong, Jiangxi Science & Technology Normal Univ. (China)
Dongmei Li, Jiangxi Science & Technology Normal Univ. (China)
Guodong Liu, Jiangxi Science & Technology Normal Univ. (China)


Published in SPIE Proceedings Vol. 7279:
Photonics and Optoelectronics Meetings (POEM) 2008: Optoelectronic Devices and Integration

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