Electronic properties of strained monolayer MoS2 using tight binding method

Abstract

The electronic properties of monolayer MoS2 have been investigated using tight binding method. We have studied the band gap and effective mass of monolayer MoS2, and the effect of tensile strain. In both bi-axial and uni-axial strain, we observed that the band gap and the effective mass decrease when the strain increases. However, at about 1.8% bi-axial strain and 4.2% uni-axial strain, the direct to indirect band gap transition happens. The hole effective mass for transport therefore changes from the smaller mh (K) to the larger mh (T), which makes significant influence on the transport properties.