Rashba-type spin splitting and the electronic structure of ultrathin Pb/MoTe₂heterostructure

The spin-polarized band structures of the Pb(111)/MoTe 2 heterostructure are studied by the first-principles calculations. Due to strong spin–orbit coupling and space inversion asymmetry, large Rashba spin splitting of electronic bands appears in this hybrid system. The spin splitting is completely out-of-plane and opposite at K ¯ and K ¯ ′ points. Rashba spin splitting also appears along the in-plane momentum direction around the Γ ¯ point due to the existence of surface potential gradient induced by charge transfer at interface. Furthermore, our calculations show that the spin-polarized bands closely approach the Fermi level in Pb/MoTe 2 heterostructure, showing that this heterostructure may be a good candidate in valleytronics or spintronics.