Schottky and Frenkel Defect on SbS₂ Monolayer: First Principles Calculations

Abstract In the present study, we have analyzed electronic properties and formation energy of SbS 2 monolayer with Frenkel Schottky defects using first principle calculations. The variation in properties, such as band structure Density States (DOS) for defects, has been observed this paper. Monolayer show metallic behaviour, whereas defect shows a small direct indirect bandgap 24 meV 8 meV, respectively. DOS s help us to study behaviour orbitals systems. Due narrow defect, it can be promising material nano-electronics devices.