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O: Fachverband Oberflächenphysik

O 77: Oxides and insulators: Epitaxy and growth

O 77.9: Vortrag

Donnerstag, 25. März 2010, 17:00–17:15, H42

Mixed interface and charge neutrality in the oxide heterostructure DyScO₃/SrTiO₃ — •kourosh rahmanizadeh, gustav bihlmayer, and sbtefan blügel — Institut für Festkörperforschung & Institute for Advanced Simulation, Forschungszentrum Jülich, 52425 Jülich

Oxide interfaces have attracted considerable attention in recent years due to the emerging novel behavior, which does not exist in the corresponding parent bulk compounds, e.g. joining two simple band insulators LaAlO₃ and SrTiO₃ with different polarity can induce new properties ranging from conductivity to magnetism, even to superconductivity. The electrostatic potential diverges due to the polar discontinuity at the interface. But intermixing at the interface, defects, or formation of a polarization in the substrate can help to avoid the divergence of the electrostatic potential.

We carried out density functional theory calculations based on the full-potential linearized augmented planewave (FLAPW) method as implemented in the FLEUR code (www.flapw.de) for studying sharp and intermixed DyScO₃/SrTiO₃ interfaces. DyScO₃ layers induce the same polarity as the lanthanum aluminate. Experimental evidence for intermixing was reported for this system in Ref.[1]. We investigated both scenarios avoiding the polar catastrophe, either by forming a mixed layer at the interface or by formation of a polarization in the SrTiO₃ substrate.

[1] M. Luysberg et al., Acta Materialia 57, 3192 (2009)