Tunable electronic and optical properties of a type-II AlAs/GaS heterojunction: first-principles calculations
Jiaxin Wang, Jinzhe Xuan, Xing Wei, Yan Zhang, Jibin Fan, Lei Ni, Yun Yang, Jian Liu, Ye Tian, Xuqiang Wang, Chongrong Yuan, Li Duan
Abstract
In this paper, the geometric structures and electron-optical properties of AlAs/GaS heterojunctions and Se-doped AlAs/GaS heterojunctions are calculated based on first-principles of density functional theory (DFT).
Topics & Concepts
HeterojunctionDensity functional theoryMaterials scienceOptoelectronicsDopingFermi gasElectronComputational chemistryChemistryPhysicsQuantum mechanics2D Materials and ApplicationsChalcogenide Semiconductor Thin FilmsQuantum Dots Synthesis And Properties