Strain-modulated magnetic behavior in Li-doped WS2 monolayer

Magnetic properties of Li-doped WS2 monolayer under strain are investigated by ab initio methods. Without strain, the Li-doped WS2 monolayer is a magnetic nano material and the total magnetic moment is about 0.99 μB. We applied strain to Li-doped WS2 monolayer from −10% to 10%. The magnetic properties are modified under different strain, the doped system gets a maximum value of 1.89 μB at 10% compressive strain and a minimum value of 0 μB at −5%. The coupling between 3p states of S and 5d states of W is responsible for the strong strain effect on the magnetic properties. Our studies predict Li-doped WS2 monolayer under strain to be candidates for application in spintronics.