Dresden 2011 – scientific programme
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O: Fachverband Oberflächenphysik
O 79: Electronic structure II
O 79.4: Talk
Thursday, March 17, 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)