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Accueil > Séminaires > Séminaires passés > Seminaires de 2013 > Importance of oxygen vacancies for the two-dimensional metallic state at the surface of SrTiO3

Roser Valenti (University of Frankfurt)

Importance of oxygen vacancies for the two-dimensional metallic state at the surface of SrTiO3

Jeudi 03 octobre 2013 - 16h - Bât. 108 - Salle de réunion

We analyze by means of density functional theory (DFT) the electronic structure of various oxygen-deficient SrTiO$_3$ surface slabs. We find a significant surface reconstruction after introducing oxygen vacancies and we show that the charges resulting from surface-localized oxygen vacancies —independently of the oxygen concentration— redistribute in the surface region and deplete rapidly within a few layers from the surface suggesting the formation of a two-dimensional electron gas (2DEG). We also investigate possible oxygen-vacancy clustering effects and discuss our results in the context of recent angle-resolved photoemission spectroscopy observations of a highly metallic 2DEG at the (001) vacuum-cleaved surface of SrTiO$_3$.

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