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O: Fachverband Oberflächenphysik

O 79: Electronic structure II

O 79.4: Vortrag

Donnerstag, 17. März 2011, 15:45–16:00, WIL C107

Electronic structure of RScO₃ from x-ray spectroscopies and first–principles calculations — •Christine Derks¹, Karsten Kuepper², Andree Postnikov³, Reinhard Uecker⁴, and Manfred Neumann¹ — ¹Department of Physics, University of Osnabrück, D-49069 Osnabrück — ²Department of Solidstate Physics, University of Ulm, D-89069 Ulm — ³Laboratoire de Physique des Milieux Denses, Universite Paul Verlaine, F-57078 Metz — ⁴Institute for Crystal Growth, D-12489 Berlin

Perovskites of the type RScO₃, where R represents a trivalent rare-earth metal, are high k materials and belong to the best available thin film substrates for the epitaxial growth of high quality thin films. This allows a so called strain tailoring of ferroelectric, ferromagnetic, or multiferroic perovskite thin films by choosing different RScO₃.

With respect to these interesting properties there is up to now only rare knowledge available about the electronic structure of RScO₃. In a previous work we have already published a work on the electronic structure of SmScO₃, GdScO₃, and DyScO₃ [1]. As far as we know, it is the only work combining XPS, XES and XAS with ab initio electronic structure calculations. We are extending these successful investigations to single crystalline PrScO₃, NdScO₃, EuScO₃ and TbScO₃. A complete electronic structure was obtained and the band gaps could be deduced for all these rare-earth scandates. All the results were found to be in good agreement with LDA+U calculations.

[1] M. Raekers et al., Phys. Rev. B79 125114 (2009)