| Electronic structures and optical properties of Ⅲ_A-doped wurtzite Mg_(0.25)Zn_(0.75)O |
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| 引用本文： | 郑树文,何苗,李述体,章勇.Electronic structures and optical properties of Ⅲ_A-doped wurtzite Mg_(0.25)Zn_(0.75)O[J].中国物理 B,2014,23(8):87101-087101. |
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| 作者姓名： | 郑树文 何苗 李述体 章勇 |
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| 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 |
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| 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) |
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| 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.
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| 收稿时间： | 2014-03-10 |
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