Modulation of Electronic Transport Coefficients of Monolayer MoSe2 by Biaxial Strain

In this work, we systematically investigate the effect of biaxial strain on the electronic transport coefficients of monolayer MoSe2 (n-type and p-type) by using the DFT formalism. The application of strain modifies the electronic band structure by changing the energy band gap and also makes the transition from direct to indirect, which in turn directly modulates the transport coefficients of the material i.e. Seebeck coefficients and electrical conductivity. The compressive strain is found to enhance the power factor of n-type MoSe2 monolayer and in case of p-type tensile strain improves power factor but only slightly. In particular, the application of strain enhances the various transport parameters which further help in increasing the efficiency of monolayer MoSe2 as a thermoelectric material.