Strain-Dependent Electronic and Magnetic of Mg-Doped Monolayer of WS{sub 2}
Magnetic properties of Mg-doped WS{sub 2} monolayer under strain are investigated by ab initio methods. Without strain, the Mg-doped WS{sub 2} monolayer is a magnetic nano material and the total magnetic moment is about 1.68 μ{sub B}. We applied strain to Mg-doped WS{sub 2} monolayer from −10 to 10%. The system changes from semiconductor to half-metallic material from 3 to 10% strain. The magnetic moment gets a maximum value of 2.07 μ{sub B} at −3% compressive strain. However, the magnetic moment of system decreases to zero sharply when compressive strain arrived at −5%. The coupling among the 3s states of Mg, 5d states of W, and 3p states of S is responsible for the strong strain effect on the magnetic properties. Our studies predict Mg-doped WS{sub 2} monolayer under strain to be candidates for application in spintronics.