Computational Study of Electronic Properties of Carbon-Homo Doped Silicene Monolayer
No Thumbnail Available
Date
2024-08
Authors
Journal Title
Journal ISSN
Volume Title
Publisher
Addis Ababa University
Abstract
Silicene, two dimensional form of silicon atom, has attractive considerable attention
due to its promising applications in nanoelectronics. This study, investigates how
doping carbons at different concentrations alters and improve its properties as well as
intensify its applications. Inorder to investigate structural and electronic modifications
produced by doping carbon atom in to silicene lattice, we use Density Functional
Theory ( DFT). Our findings indicate that substituting carbon atoms leads to significant
changes, starting with the emergence of a band gap at a dopant concentration of
x = 0.22 in super cell of eighteen(18) silicon atoms. This transition converts silicene
from a semimetal to a semiconductor. Furthermore, at both carbon dopant concentrations
of x= 0.22 and x = 0.33, a direct band gap material is produced.The study
provides understanding of how carbon doping influence the electronic properties of
silicene, open the way for development of next generation technology.
Description
Keywords
Silicene, Structural Properties, Electronic Properties, Density Functional Theory