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

作者机构：College of ScienceNanjing University of Aeronautics and AstronauticsNanjing 211106China College of Aeronautical EngineeringBingzhou UniversityBingzhou 256603China 

出 版 物：《Chinese Physics B》 (中国物理B（英文版）)

年 卷 期：2018年第27卷第10期

页      面：495-500页

核心收录：

学科分类：08[工学] 080501[工学-材料物理与化学] 0805[工学-材料科学与工程（可授工学、理学学位）] 

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

主　　题：GaN photocathode electronic structure optical properties 

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.