| Electronic structures and optical properties of Zn-doped β-Ga2O3 with different doping sites |
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| 引用本文： | 李超,闫金良,张丽英,赵刚.Electronic structures and optical properties of Zn-doped β-Ga2O3 with different doping sites[J].中国物理 B,2012(12):430-435. |
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| 作者姓名： | 李超 闫金良 张丽英 赵刚 |
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| 基金项目： | Project supported by the National Natural Science Foundation of China （Grant No. 10974077）, the Natural Science Foundation of Shandong Province, China （Grant No. 2009ZRB01702）, and the Shandong Provincial Higher Educational Science and Technology Program, China （Grant No. J10LA08）. |
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| 摘 要： | <正>The electronic structures and optical properties of intrinsicβ-Ga2O3 and Zn-dopedβ-Ga2O3 are investigated by first-principles calculations.The analysis about the thermal stability shows that Zn-dopedβ-Ga2O3 remains stable. The Zn doping does not change the basic electronic structure ofβ-Ga2O3,but only generates an empty energy level above the maximum of the valence band,which is shallow enough to make the Zn-dopedβ-Ga2O3 a typical p-type semiconductor.Because of Zn doping,absorption and reflectivity are enhanced in the near infrared region.The higher absorption and reflectivity of ZnCa（2） than those of ZnCa（1）are due to more empty energy states of ZnCa（2）than those of ZnCa（1） near Ef in the near infrared region.
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| 关 键 词： | first-principles Zn-doped β-Ga2O3 p-type semiconductor optical properties |
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