Fig. 4
From: Electronic structure and exciton shifts in Sb-doped MoS2 monolayer
Electronic band structures calculated with PBE functional with spin-orbit coupling (SOC) effect. a The 5 × 5 × 1 supercell of MoS2. b Electronic band structure of monolayer MoS2. c Total density of states (TDOS) and orbital-projected density of states (PDOS) for Mo and S. d The 5 × 5 × 1 supercell of Sb-doped MoS2. e Electronic band structure of monolayer Sb-doped MoS2. f Total density of states (TDOS) and orbital-projected density of states (PDOS) for Mo, S, and Sb
