Tuning the Electronic Properties of Janus GeSnS2 Monolayers through Strain and Electric Field

Abstract

This study investigates the electronic properties of a single layer of the novel Janus material GeSnS2 using density functional theory. By utilizing the hybrid functional HSE06 in addition to the standard PBE approximation, the study aims to obtain accurate findings about how changes in strain and electric field affect the material’s electronic properties. The results of the study reveal that the bandgap energy of the GeSnS2 monolayer is 2.15 eV and that it exhibits an indirect bandgap behavior. The study also shows that by applying strain or an electric field, the bandgap of the material can be changed, which has significant implications for the material’s potential applications. The study found that when strain is applied, the bandgap changes significantly. Furthermore, the study discovered that the electric field has a slight effect on changing the bandgap of GeSnS2 monolayer when the electric field is changed from 0 to 8 V/nm, and a band shift occurs under certain conditions. The study provides valuable insight into the potential of GeSnS2 and opens the door for further research in this field.

Keywords

• GeSnS2 monolayers
• strain
• electric field
• DFT