First-Principles Calculations for Electronic Structures of Flourine-Doped ZnO

Abstract:

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The formation energy and electronic structures of Fluorine-doped ZnO have been calculated by the first principles. The calculated results show that Fi, which is easier to form under O-rich conditions, is helpful to achieve p-type ZnO. The main contribution of accept level are the hybridization between F(2p),O (2p) and Zn(3d) states which are near the top of the valence band.

Info:

Periodical:

Advanced Materials Research (Volumes 295-297)

Edited by:

Pengcheng Wang, Liqun Ai, Yungang Li, Xiaoming Sang and Jinglong Bu

Pages:

1319-1321

DOI:

10.4028/www.scientific.net/AMR.295-297.1319

Citation:

Q. X. Wan et al., "First-Principles Calculations for Electronic Structures of Flourine-Doped ZnO", Advanced Materials Research, Vols. 295-297, pp. 1319-1321, 2011

Online since:

July 2011

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Price:

$35.00

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