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