中国物理B ›› 2018, Vol. 27 ›› Issue (10): 106102-106102.doi: 10.1088/1674-1056/27/10/106102

• CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES • 上一篇    下一篇

Effects of Al component content on optoelectronic properties of AlxGa1-xN

Yan-Jun Ji(纪延俊), Jun-Ping Wang(王俊平), You-Wen Liu(刘友文)   

  1. 1 College of Science, Nanjing University of Aeronautics and Astronautics, Nanjing 211106, China;
    2 College of Aeronautical Engineering, Bingzhou University, Bingzhou 256603, China
  • 收稿日期:2018-06-19 修回日期:2018-07-22 出版日期:2018-10-05 发布日期:2018-10-05
  • 通讯作者: Yan-Jun Ji, You-Wen Liu E-mail:jiyjun@126.com;youwen@163.com
  • 基金资助:

    Project supported by the National Natural Science Foundation of China (Grant No. 61171042).

Effects of Al component content on optoelectronic properties of AlxGa1-xN

Yan-Jun Ji(纪延俊)1,2, Jun-Ping Wang(王俊平)1,2, You-Wen Liu(刘友文)1   

  1. 1 College of Science, Nanjing University of Aeronautics and Astronautics, Nanjing 211106, China;
    2 College of Aeronautical Engineering, Bingzhou University, Bingzhou 256603, China
  • Received:2018-06-19 Revised:2018-07-22 Online:2018-10-05 Published:2018-10-05
  • Contact: Yan-Jun Ji, You-Wen Liu E-mail:jiyjun@126.com;youwen@163.com
  • Supported by:

    Project supported by the National Natural Science Foundation of China (Grant No. 61171042).

摘要:

Using density functional theory, the electronic structures, lattice constants, formation energies, and optical properties of AlxGa1-xN are determined with Al component content x in a range from 0 to 1. As x increases, the lattice constants decrease in e-exponential form, and the band gap increases with a band bending parameter b=0.3954. The N-Al interaction force in the (0001) direction is greater than the N-Ga interaction force, while the N-Al interaction force is less than the N-Ga interaction force in the (1010) direction. The formation energies under different Al component content are negative and increase with Al component content increasing. The static dielectric function decreases, the absorption edge has a blue shift, and the energy loss spectrum moves to high energy with the Al component content increasing.

关键词: GaN, photocathode, electronic structure, optical properties

Abstract:

Using density functional theory, the electronic structures, lattice constants, formation energies, and optical properties of AlxGa1-xN are determined with Al component content x in a range from 0 to 1. As x increases, the lattice constants decrease in e-exponential form, and the band gap increases with a band bending parameter b=0.3954. The N-Al interaction force in the (0001) direction is greater than the N-Ga interaction force, while the N-Al interaction force is less than the N-Ga interaction force in the (1010) direction. The formation energies under different Al component content are negative and increase with Al component content increasing. The static dielectric function decreases, the absorption edge has a blue shift, and the energy loss spectrum moves to high energy with the Al component content increasing.

Key words: GaN, photocathode, electronic structure, optical properties

中图分类号:  (III-V and II-VI semiconductors)

  • 61.72.uj
71.22.+i (Electronic structure of liquid metals and semiconductors and their Alloys) 61.80.Ba (Ultraviolet, visible, and infrared radiation effects (including laser radiation)) 36.20.Kd (Electronic structure and spectra)