The effect of uniaxial strain on the electronic structure of monolayer MoS2

In this paper the effect of spin-orbit coupling (SOC) as well as uniaxial tensile strain on the electrical properties of monolayer MoS
₂
has been studied. For this purpose a tight binding model has been employed. Incorporating SOC allows for accurate determination of electronic band structure for the complex monolayer MoS
₂
structure. Our results indicate a large splitting of the valence band equal to 148 meV and a minimal splitting of the conduction band (9 meV). These results are in excellent agreement with the experimental data. We have also applied uniaxial tensile strain to the monolayer MoS
₂
along the zigzag direction. The results demonstrate a transition from a direct band gap to an indirect band gap. Moreover, increasing tensile strain causes a decrease in the band gap.