Optimizing the Parameters of diodes based on Gallium Sulfide Monolayer and Improving its Performance by Injecting Impurities and Introducing Defects

Abstract

The gallium sulfide (GaS) monolayer is a potential two-dimensional semiconductor material with exceptional characteristics. GaS has a light gap of approximately 2.48 eV. However, it is indirect meaning the conduction band edge and finesse does not reside at a point in the wave vector’s space. In this research, density functional theory-based calculations were used to study the diode properties of GaS nanowires. First, the parameters relevant to the analysis, such as the limit energy and the inverting spatial network, are optimized ,and then the GaS unit cell is optimized based on these parameters. The ideal grid vector and link length were used to complete the calculations. The electronic properties of the GaS transport channel with various impurities were investigated using state density calculations as well. The electronic transport of the GaS transport channel with impurities from different atoms was then estimated and examined using a current-voltage diagram. The diode characteristics of GaS nanowires were investigated using calculations based on modified density functional theory in this contribution. The GaS unit cell is optimized for this purpose by first optimizing the parameters connected with the computations, such as limit energy and inverted space meshing, and then employing these parameters. The best grid vector and connection length were utilized to continue the computations. Subsequently, the density of states calculations were used to investigate the electronic properties of the GaS transport channel with various impurities. Later, the electronic transport of the GaS transport channel with impurities from different atoms was calculated and investigated by calculating the current-voltage diagram.