First-principles study of stability of point defects and their effects on electronic properties of GaAs/AlGaAs superlattice

• 作者: Shan Feng Ming Jiang Qi-Hang Qiu Xiang-Hua Peng Hai-Yan Xiao Zi-Jiang Liu Xiao-Tao Zu Liang Qiao
• 来源期刊: 中国物理B（英文版）
• 年，卷（期）: 2022,（3）
• 所属期刊栏目: CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES
• 页码范围: 489-498
• 页数: 10页
• 语种: 英文
• DOI: 10.1088/1674-1056/ac16cb

摘要

When the GaAs/AlGaAs superlattice-based devices are used under irradiation environments,point defects may be created and ultimately deteriorate their electronic and transport properties.Thus,understanding the properties of point defects like vacancies and interstitials is essential for the successful application of semiconductor materials.In the present study,first-principles calculations are carried out to explore the stability of point defects in GaAs/Al0.5 Ga0.5 As superlattice and their effects on electronic properties.The results show that the interstitial defects and Frenkel pair defects are rela-tively difficult to form,while the antisite defects are favorably created generally.Besides,the existence of point defects generally modifies the electronic structure of GaAs/Al0.5 Ga0.5 As superlattice significantly,and most of the defective SL structures possess metallic characteristics.Considering the stability of point defects and carrier mobility of defective states,we propose an effective strategy that AlAs,GaAs,and AlGa antisite defects are introduced to improve the hole or electron mobility of GaAs/Al0.5 Ga0.5 As superlattice.The obtained results will contribute to the understanding of the radiation dam-age effects of the GaAs/AlGaAs superlattice,and provide a guidance for designing highly stable and durable semiconductor superlattice-based electronics and optoelectronics for extreme environment applications.