Structural, electronic, and magnetic properties of vanadium atom-adsorbed MoSe2 monolayer
Liu Ping, Qin Zhen-Zhen, Yue Yun-Liang, Zuo Xu
       

(color online) Schematic diagram of molecular orbitals of the V adatom, where the left part shows the orbitals of a free V atom, the middle part refers to those orbitals in C 3v local symmetry, and the right part denotes the molecular orbitals corresponding to the mid-gap states in Figs. 5(a) and 5(f). Note only the molecular orbitals of V-group are shown here.