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VOLUME 96 | ISSUE 7 | PAGE 484
Giant Rashba-type spin splitting at polar surfaces of BiTeI
S. V. Eremeev+*, I. A. Nechaev, E. V. Chulkov×∇
+Institute of Strength Physics and Materials Science SB RAS, 634021 Tomsk, Russia
*Tomsk State University, 634050 Tomsk, Russia
×Donostia International Physics Center, 20018 San Sebastián, Basque Country, Spain
Departamento de Fisica de Materiales UPV/EHU, 20080 San Sebastián, Basque Country, Spain

On the basis of relativistic ab-initio calculations, we show that both Te- and I-terminated surfaces of the polar layered semiconductor BiTeI hold surface states with a giant Rashba-type spin splitting. The Te-terminated surface state has nearly isotropic free-electron-like dispersion with a positive effective mass, which along with the giant spin splitting makes BiTeI fulfilling the requirements demanded by many semiconductor-spintronics applications. The I-terminated surface state with its negative effective-mass dispersion reproduces nicely the situation with the Rashba-split surface state on surfaces of noble-metal based surface alloys. The crucial advantage of BiTeI as compared with the surface alloys is the location of the I-terminated surface state in a quite wide band gap.

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