First-principles study of structural, electronic, and optical properties of GaAs (001)- (2x4) with surface defects

• 主要作者: Bacuyag, Dhonny P.
• 格式: text
• 語言: English
• 出版: Animo Repository 2023
• 主題: Gallium arsenide; Physics
• 在線閱讀: https://animorepository.dlsu.edu.ph/etdd_physics/4; https://animorepository.dlsu.edu.ph/context/etdd_physics/article/1004/viewcontent/2023_Bacuyag_First_Principles_Study_of_Structural_Electronic_Full_text.pdf
• 機構: De La Salle University

First-principles calculations in understanding the geometrical, electronic, and optical properties of GaAs (001)- β2(2x4) and GaAs (001)- β(2x4) with defects are performed in the framework of density functional theory (DFT) and are implemented in the Vienna ab initio simulation package (VASP). The s...