Giant Rashba-type splitting in molybdenum-driven bands of MoS2/ Bi(111) heterostructure

We investigate the electronic band structure of the MoS2/Bi(111) heterostructure, for which the supercell calculation is performed due to the lattice mismatch between two structures but the effective primitive cell is recovered by using the band unfolding technique. It is found that the strong molybdenum-bismuth band hybridization together with a generation of the interfacial dipole field induces the giant Rashba-type splitting accompanying the proper spin topology in molybdenum-driven bands at the Γ point. Similar splittings are also found in the heterostructure with other transition-metal dichalcogenides, i.e., with MoSe2,WS2, and WSe2.