Journal Article

PreJuSER-17644

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Electronic structure trends in the Sr(n+1)Ru(n)O(3n+1) family (n=1,2,3)

Malvestuto, M. ; Carleschi, E. ; Fittipaldi, R. ; Gorelov, E.FZJ* ; Pavarini, E.FZJ* ; Cuoco, M. ; Maeno, Y. ; Parmigiani, F. ; Vecchione, A.

2011
APS College Park, Md.

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Please use a persistent id in citations: http://hdl.handle.net/2128/10903  doi:10.1103/PhysRevB.83.165121

Abstract: The identification of electronic states and the analysis of their evolution with n is key to understanding n-layered ruthenates. To this end, we combine polarization-dependent O 1s x-ray absorption spectroscopy, high-purity Srn+1RunO3n+1 (n = 1,2,3) single crystals, and ab initio and many-body calculations. We find that the energy splitting between the empty x(2) - y(2) and 3z(2) - 1 state is considerably smaller than previously suggested and that, remarkably, Sr bands are essential to understanding the spectra. At low energy, we identify the main difference among the materials with a substantial rearrangement of t(2g) orbital occupations with increasing n. This rearrangement is controlled by the interplay of Coulomb repulsion, dimensionality, and changes in the t(2g) crystal field.

Keyword(s): J

Note: E.G. and E.P. acknowledge the Julich BlueGene/P Grant No. JIFF41, as well as financial support by the Deutsche Forschungsgemeinschaft through the research unit FOR 1346.

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Contributing Institute(s):

1. Theoretische Nanoelektronik (PGI-2)
2. Theoretische Nanoelektronik (IAS-3)

Research Program(s):

1. Grundlagen für zukünftige Informationstechnologien (P42)

Appears in the scientific report 2011

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