Strain effects on magnetic states of monolayer MoS2 doped with group IIIA to VA atoms

Based on first-principles calculations, the strain effects on electronic and magnetic properties of monolayer MoS2 doped with atoms in IIIA (B, Al, and Ga), IVA(C, Si, Ge) and VA(N, P, and As) groups have been studied systematically. Without strain, B, C, Si, Ge and As doped MoS2 are nonmagnetic, while doping of Al, Ga, N and P can induce magnetic moments and the Ga and Al doped MoS2 are half-metallic with 100% spin polarization at the Fermi level. Moreover, under in-plane strain the magnetic properties of Al, Ga, Si, Ge, N, P and As doped MoS2 can be modulated effectively, and their magnetic moments can be switched on and off in the range of strain from -12% to 10%.