Strain engineering of single-layer MoS2

Abstract

In this work the effect of biaxial and uniaxial strain on the mobility of single-layer MoS2 at room temperatures is comprehensively studied. Scattering from intrinsic phonon modes, remote phonon and charged impurities are considered along with static screening. Ab-initio simulations are utilized to investigate the strain induced effects on the electronic bandstructure and the linearized Boltzmann transport equation is used to evaluate the low-field mobility under various strain conditions. The results indicate that the mobility increases with tensile biaxial and tensile uniaxial strain along the armchair direction. Under compressive strain, however, the mobility exhibits a nonmonotonic behavior when the strain magnitude is varied. In particular, with a relatively small compressive strain of 1% the mobility is reduced by about a factor of two compared to the unstrained condition, but with a larger compressive strain the mobility partly recovers such a degradation.