Electronic structures and optical properties of Ⅲ_A-doped wurtzite Mg_(0.25)Zn_(0.75)O |
| |
作者姓名: | 郑树文 何苗 李述体 章勇 |
| |
作者单位: | Laboratory of Nanophotonic Functional Materials and Devices, Institute of Opto-electronic Materials and Technology, South China Normal University, Guangzhou 510631, China |
| |
基金项目: | Project supported by the National Natural Science Foundation of China(Grant No.61078046);the Special Funds for Provincial Strategic and Emerging Industries Projects of Guangdong Province,China(Grant No.2012A080304016);the Youth Foundation of South China Normal University,China(Grant No.2012KJ018) |
| |
摘 要: | The energy band structures, density of states, and optical properties of IIIA-doped wurtzite Mg0.25Zn0.75O(IIIA= Al,Ga, In) are investigated by a first-principles method based on the density functional theory. The calculated results show that the optical bandgaps of Mg0.25Zn0.75O:IIIAare larger than those of Mg0.25Zn0.75 O because of the Burstein–Moss effect and the bandgap renormalization effect. The electron effective mass values of Mg0.25Zn0.75O:IIIAare heavier than those of Mg0.25Zn0.75 O, which is in agreement with the previous experimental result. The formation energies of MgZnO:Al and MgZnO:Ga are smaller than that of MgZnO:In, while their optical bandgaps are larger, so MgZnO:Al and MgZnO:Ga are suitable to be fabricated and used as transparent conductive oxide films in the ultra-violet(UV) and deep UV optoelectronic devices.
|
收稿时间: | 2014-03-10 |
本文献已被 CNKI 等数据库收录! |
| 点击此处可从《中国物理 B》浏览原始摘要信息 |
|
点击此处可从《中国物理 B》下载免费的PDF全文 |
|