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Ab initio study of Rashba splitting of 2DEG at surfaces of topological insulators

AuthorsEremeev, S. V.; Menshchikova, Tatiana V.; Ernst, A.; Chulkov, Eugene V.
Issue Date2012
CitationCECAM Workshop (2012)
AbstractThe three dimensional topological insulators (TI) belong to a class of insulators where the bulk gap is inverted due to spin-orbit interaction. TIs differ from band insulators in that a metallic surface state (SS) arises in the bulk energy gap forming a Dirac cone with linear dispersion and a crossing point close to the Fermi level. This topological SS carries only a single electron per momentum with a spin that changes its direction consistently with a change of momentum.[1] However recently it has been demonstrated by using Angle Resolved Photoemission Spectroscopy (ARPES) that besides de Dirac cone 2D electron gas (2DEG) arise at the surface of Bi2Se3 and Bi2Te3 after a few hours of exposition in vacuum or upon deposition of atoms.[2-6] In this work by means of DFT ab initio calculations we present a new interpretation for the driving mechanism of the simultaneous formation and evolution of the parabolic and M-shaped 2D electron gas (2DEG) bands at the surface of Topological Insulators. As it has been probed in previous publications [7,8,9] it might be due to an expansion of the van der Waals spacing produced by impurities intercalation. We will show the effect of these expansions on the spatial relocalization of the Dirac cone and we will compare our results with some experimental data for different binary and ternary compounds.
DescriptionTrabajo presentado al CECAM Workshop on "Topological Materials" celebrado en Bremen (Alemania) del 13 al 17 de Agosto de 2012.
Appears in Collections:(CFM) Comunicaciones congresos
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