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Proceedings Paper

First-principles calculations for electronic structures of carbon-doped ZnO
Author(s): Qixin Wan; Weihua Liu; Zhihua Xiong; Dongmei Li; Bilin Shao
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Paper Abstract

The first-principles with pseudopotentials method based on the density functional theory was applied to calculate the electronic structure of ZnO doped with carbon. It optimized the wurtzite structure of ZnO when carbon was on the substitutional O site (CO), the substitutional Zn site (CZn) or in the interstitial site (Ci) respectively. The calculated conclusions show that the CZn and Ci behave as donor. However, CO results in acceptor. It is illuminated that CO is helpful to achieve p-type ZnO.

Paper Details

Date Published: 15 October 2012
PDF: 6 pages
Proc. SPIE 8419, 6th International Symposium on Advanced Optical Manufacturing and Testing Technologies: Optoelectronic Materials and Devices for Sensing, Imaging, and Solar Energy, 841919 (15 October 2012); doi: 10.1117/12.975757
Show Author Affiliations
Qixin Wan, Jiangxi Science and Technology Normal Univ. (China)
Weihua Liu, Nanchang Delin Electronics, Ltd. (China)
Zhihua Xiong, Jiangxi Science and Technology Normal Univ. (China)
Dongmei Li, Jiangxi Science and Technology Normal Univ. (China)
Bilin Shao, Jiangxi Science and Technology Normal Univ. (China)


Published in SPIE Proceedings Vol. 8419:
6th International Symposium on Advanced Optical Manufacturing and Testing Technologies: Optoelectronic Materials and Devices for Sensing, Imaging, and Solar Energy
Yadong Jiang; Junsheng Yu; Zhifeng Wang, Editor(s)

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