Electronic structures and magnetic properties of the transition-metal atoms (Mn, Fe, Co and Ni) doped WS2: A first-principles study

A single as well as the double identical TM atoms X (X = Mn, Fe, Co and Ni) substituting for one as well as two W atoms at position (0) as well as positions (0,1), (0,2) and (0,3) respectively of the monolayer WS2 system. The gray, yellow and blue spheres represent W, S and X atoms, respectively.