Effect of strain on electronic and magnetic properties of n-type Cr-doped WSe2 monolayer

Using first-principles calculations based on the density functional theory, we study the effect of strain on the electronic and magnetic properties of Cr-doped WSe2 monolayer. The results show that no magnetic moment is induced in the Cr-doped WSe2 monolayer without strain. For the Cr substitutions, the impurity states are close to the conduction bands, which indicate n-type doping occurs in this case. Then we applied strain (from −10% to 10%) to the doped system, and find that a little magnetic moment is induced with tensile strain from 6% to 9% and negligible. We find that the influence of strain on the magnetic properties is inappreciable in Cr-doped WSe2. Moreover, the tensile strain appears to be more effective in reducing the band gap of Cr-doped WSe2 monolayer than the compressive strain.