Chin. Phys. B ›› 2012, Vol. 21 ›› Issue (12): 127104-127104.doi: 10.1088/1674-1056/21/12/127104

• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇    下一篇

Electronic structures and optical properties of Zn-doped β-Ga2O3 with different doping sites

李超, 闫金良, 张丽英, 赵刚   

  1. School of Physics and Optoelectronic Engineering, Ludong University, Yantai 264025, China
  • 收稿日期:2012-04-06 修回日期:2012-05-22 出版日期:2012-11-01 发布日期:2012-11-01
  • 基金资助:
    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).

Electronic structures and optical properties of Zn-doped β-Ga2O3 with different doping sites

Li Chao (李超), Yan Jin-Liang (闫金良), Zhang Li-Ying (张丽英), Zhao Gang (赵刚)   

  1. School of Physics and Optoelectronic Engineering, Ludong University, Yantai 264025, China
  • Received:2012-04-06 Revised:2012-05-22 Online:2012-11-01 Published:2012-11-01
  • Contact: Yan Jin-Liang E-mail:yanjinliang@yahoo.cn
  • Supported by:
    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： The electronic structures and optical properties of intrinsic β-Ga2O3 and Zn-doped β-Ga2O3 are investigated by first-principles calculations. The analysis about the thermal stability shows that Zn-doped β-Ga2O3 remains stable. The Zn doping does not change the basic electronic structure of β-Ga2O3, but only generates an empty energy level above the maximum of valence band, which is shallow enough to make the Zn-doped β-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 ZnGa(2) than those of ZnGa(1) are due to more empty energy states of ZnGa(2) than those of ZnGa(1) near Ef in the near infrared region.

关键词: first-principles, Zn-doped β-Ga2O3, p-type semiconductor, optical properties

Abstract: The electronic structures and optical properties of intrinsic β-Ga2O3 and Zn-doped β-Ga2O3 are investigated by first-principles calculations. The analysis about the thermal stability shows that Zn-doped β-Ga2O3 remains stable. The Zn doping does not change the basic electronic structure of β-Ga2O3, but only generates an empty energy level above the maximum of valence band, which is shallow enough to make the Zn-doped β-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 ZnGa(2) than those of ZnGa(1) are due to more empty energy states of ZnGa(2) than those of ZnGa(1) near Ef in the near infrared region.

Key words: first-principles, Zn-doped β-Ga2O3, p-type semiconductor, optical properties

中图分类号:  (Electron density of states and band structure of crystalline solids)

  • 71.20.-b
71.15.Dx (Computational methodology (Brillouin zone sampling, iterative diagonalization, pseudopotential construction)) 71.55.-i (Impurity and defect levels) 71.55.Eq (III-V semiconductors)