Effects of uniaxial tensile strain on the electron-phonon scattering limited carrier mobility in an n-type monolayer MoS at room temperature: first-principles calculations.

In the present work, we theoretically study the strain effect on the room temperature mobility (RTM) of a n-type Monolayer MoS limited by electron-phonon (e-ph) scattering. Our numerical results indicate that the RTM along zigzag direction of such a 2D material can be efficiently modulated by a uniaxial tensile strain. Such an RTM, denoted as [Formula: see text], has a sizable reduction (enhancement) as a moderate tensile strain is applied in a parallel (perpendicular) direction. For example, when the strain strength amounts to 7%, [Formula: see text] the two distinct cases of the strain applied in x and y  directions differ from each other by roughly two times. In contrast, the RTM in armchair direction is not so sensitive to a tensile strain. The underlying mechanism for such a strain effect on the mobility is then analysed in depth. Our results are obtained completely on the level of first-principles calculations, free from any empirical simplifications. Therefore, our above findings provide reliable and detailed information for experimentally manipulating the RTM of a n-type monolayer MoS by simply stretching the sample.