Effects of Al component content on optoelectronic properties of Al_xGa_(1-x)N  

作　　者：Yan-Jun Ji Jun-Ping Wang You-Wen Liu 纪延俊;王俊平;刘友文(College of Science,Nanjing University of Aeronautics and Astronautics;College of Aeronautical Engineering,Binzhou University)

机构地区：[1]College of Science,Nanjing University of Aeronautics and Astronautics,Nanjing 211106,China [2]College of Aeronautical Engineering,Bingzhou University,Bingzhou 256603,China

出　　处：《Chinese Physics B》2018年第10期495-500,共6页中国物理B（英文版）

基　　金：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（10ī0） 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.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（10ī0） 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 

分 类 号：TB34[一般工业技术—材料科学与工程]