A closer look at how symmetry constraints and the spin–orbit coupling shape the electronic structure of Bi (111)

Fully relativistic density-functional-theory calculations of Bi(111) thin films are analyzed to revisit their two metallic surface-states branches. We first contrast these metallic branches with surface states arising at gaps in the valence band opened by the spin–orbit coupling (SOC). We find that the two metallic branches along Γ𝑀― do not overlap with the bulk band at the … Read more