Effect of Tensile Strain on Performance Parameters of Different Structures of MoS2 Monolayer.

The present work is based on the computational study of MoS₂ monolayer and effect of tensile strain on its atomic level structure. The bandgap for MoS₂ monolayer, defected MoS₂ monolayer and Silicon-doped monolayer are 1.82 eV (direct bandgap), 0.04 (indirect bandgap) and 1.25 eV (indirect bandgap), respectively. The impact of tensile strain (0-0.7 %) on the bandgap and effective mass of charge carriers of these MoS₂ structures has been investigated. The bandgap decrease of 5.76 %, 31.86 % and 6.03 % has been observed in the three structures for biaxial strain while the impact of uniaxial strain is quite low. The impact of higher temperature on the bandgap under biaxial tensile strain has been also analyzed in this paper. These observations are extremely important for 2D material-based research for electronic applications. [ABSTRACT FROM AUTHOR]