Electronic structure and optical properties of li-doped ZnO systems

被引：0

作者：

Shi, Xiu-Yang ^{[1
]}

Su, Xi-Yu ^{[1
]}

Wang, Mei ^{[1
]}

机构：

[1] College of Physics and Engineering, Qufu Normal University, Qufu

来源：

Faguang Xuebao/Chinese Journal of Luminescence | 2014年 / 35卷 / 12期

关键词：

Electronic structure; First-principles; Li doping; Optical properties; ZnO;

D O I：

10.3788/fgxb20143512.1455

中图分类号：

学科分类号：

摘要：

The electronic structures and optical properties of Li-doped ZnO systems were studied by the first-principle approach based on the density functional theory. The obtained results indicate that the band gap increases linearly and the absorption edge shifts to the short wavelength direction with the increasing of Li doping concentration. Due to the impurity absorption, a new absorption peak near the visible region in the doped system was observed. The absorption rate in visible light region can be promoted by suitable doping. Thus, the photocatalytic properties of system can be improved. ©, 2014, Faguang Xuebao/Chinese Journal of Luminescence. All right reserved.

引用

页码：1455 / 1458

页数：3

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