Berlin 2012 – scientific programme

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HL: Fachverband Halbleiterphysik

HL 76: Heterostructures

HL 76.5: Talk

Thursday, March 29, 2012, 10:30–10:45, EW 202

Analysis of the oxygen vacancy induced metallic state in SrTiO₃ — •Juan Shen, Hunpyo Lee, Harald O. Jeschke, and Roser Valentí — Institut für Theoretische Physik, Goethe-Universität Frankfurt, Max-von-Laue-Straße 1, 60438 Frankfurt am Main

Strontium titanate (SrTiO₃) is one of the typical perovskite oxides and has been considered for use in oxide electronics. Recently, high carrier mobilities on the fractured bare (001) surface have been found, and the source of the 2D electron gas (2DEG) at the surface is still not clear. Oxygen vacancies are assumed to be one of the origins for the conductivity. By using density function theory (DFT), we investigate the electronic structure of SrTiO₃ surfaces in the presence of different oxygen vacancy concentrations both in SrO and in TiO₂ terminated (001) slabs. We find that the conductivity is caused by the extra electrons due to the oxygen vacancy which are transferred to Ti 3d states. In this talk we will discuss our results in comparison with available experimental measurements.