Rashba split surface states in BiTeBr

S V Eremeev, I P Rusinov, I A Nechaev, E V Chulkov
2013 New Journal of Physics  
Within density functional theory, we study bulk band structure and surface states of BiTeBr. We consider both ordered and disordered phases which differ in atomic order in the Te-Br sublattice. On the basis of relativistic ab-initio calculations, we show that the ordered BiTeBr is energetically preferable as compared with the disordered one. We demonstrate that both Te- and Br-terminated surfaces of the ordered BiTeBr hold surface states with a giant spin-orbit splitting. The Te-terminated
more » ... ce-state spin splitting has the Rashba-type behavior with the coupling parameter \alpha_R ~ 2 eV\AA.
doi:10.1088/1367-2630/15/7/075015 fatcat:4o444lsrknaarduckr5v5cmmoq