1302.0704 (S. V. Eremeev et al.)

Rashba split surface states in BiTeBr    [PDF]

S. V. Eremeev, I. P. Rusinov, I. A. Nechaev, E. V. Chulkov

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 surface-state spin splitting has the Rashba-type behavior with the coupling parameter \alpha_R ~ 2 eV\AA.

View original: http://arxiv.org/abs/1302.0704