Electronic Structure and Optical Properties of Gaas1-Xpx: A First-Principles Study

Alaa A.  Al-Jobory; Wael, I.  Ahmed; Ibrahim J.  A.

doi:10.24996/ijs.2020.61.1.8

Authors

Alaa A. Al-Jobory Physics Department, College of Education for Pure Science, University of Anbar, Anbar, Iraq.
Wael, I. Ahmed Directorate of Education Anbar, Department of Fallujah, Iraq.
Ibrahim J. A. Physics Department, College of Education for Pure Science, University of Anbar, Anbar, Iraq.

DOI:

https://doi.org/10.24996/ijs.2020.61.1.8

Keywords:

GaAs1-xPx, density functional theory, Electronic structure optical properties

Abstract

In this work, the effects of x-value on electrical and optical properties was studied for the two dimensional (2D)GaAs_1-xP_xstructure by applying the density functional theory.We found that the gallium arsenide(GaAs) and gallium phosphide(GaP) monolayers are bound to each other, while the charge transfer between these two materialsleads to tuning the band gap value between 1.5 eV for GaAs to 2.24 eV for GaP. The density of state, band structure, and optical properties are investigated in this paper.