First-principles Calculations for Electronic Structures of Flourine-doped ZnO

被引：1

作者：

Wan, Qixin ^{[1
]}

Chen, Lanli ^{[1
]}

Xiong, Zhihua ^{[1
]}

Li, Dongmei ^{[1
]}

机构：

[1] Jiangxi Sci & Technol Normal Univ, Key Lab Optoelect & Commun Jiangxi Prov, Nanchang 330013, Peoples R China

来源：

MANUFACTURING SCIENCE AND TECHNOLOGY, PTS 1-3 | 2011年 / 295-297卷

关键词：

Flourine; Electronic Structures; First-principles; ZnO;

D O I：

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

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The formation energy and electronic structures of Fluorine-doped ZnO have been calculated by the first principles. The calculated results show that F-i, 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.

引用

页码：1319 / 1321

页数：3

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