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

• المؤلف الرئيسي: Bacuyag, Dhonny P.
• التنسيق: text
• اللغة: English
• منشور في: Animo Repository 2023
• الموضوعات: Gallium arsenide; Physics
• الوصول للمادة أونلاين: 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

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...