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HL: Fachverband Halbleiterphysik

HL 51: Topological Insulators II (jointly with MA, DS, O, TT)

HL 51.4: Vortrag

Mittwoch, 28. März 2012, 10:15–10:30, EB 301

Theoretical study on the reactive chemical doping of the Bi₂Se₃ surface — •Janos Kiss^1,2, Stanislav Chadov^1,2, and Claudia Felser^1,2 — ¹Institute of Inorganic Chemistry and Analytical Chemistry, Johannes Gutenberg University, Mainz — ²Max Planck Institute for Chemical Physics of Solids, Dresden, Germany

Recent experimental results have shown that the surface of Bi₂Se₃ exposed to air will become n-type doped. Furthermore, the surface gradually undergoes an oxidation reaction leading to a degradation of the surface transport properties, where the contribution of the topological surface states are consequently decreasing. This is expected to be caused by Se vacancies. However, the formation mechanism of this vacancies and the interaction of moisture -i.e. water- with Bi₂Se₃ is still not clarified. Therefore, we will present the results of our large scale ab-initio calculations and molecular dynamics simulations in order to investigate the effect of Se vacancies and the reactivity of water upon the electronic and atomic structure of the surface.