Figure 2

(a) Band structure of the Nb₁-Nb₂ codoped MoS₂ ML without SOC. The red and blue curves show the spin-up and spin-down components, respectively. The black curves in the upper, middle, and lower panels of (b) are the total DOSs of the Nb₁-Nb₂ codoped, Nb₁ doped, and Nb₂ doped MoS₂ MLs, respectively. The red/blue curves are the partial DOSs of the Nb₁/Nb₂ atom. The gray areas in the middle and lower panels of (b) are the total DOSs of the pristine MoS₂ ML. The Nb₁ and Nb₂ partial DOSs are quadrupled and doubled to obtain a clear view. The positive and negative values correspond to the spin-up and spin-down components, respectively. (c,d) are the normal and enlarged views of the band structures of the Nb₁-Nb₂ codoped MoS₂ ML with SOC. The small red/blue circles in (a,c) indicate the spin-up/spin-down component located around Γ, folded from the K_p and K′_p in the primitive cell.