Berlin 2015 – scientific programme

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TT: Fachverband Tiefe Temperaturen

TT 23: Magnetic Heuslers, Half-Metals, Semiconductors, and Oxides (organized by MA)

TT 23.1: Talk

Monday, March 16, 2015, 15:00–15:15, H 1012

The role of spin-orbit coupling and complex magnetism in the electronic structure of bulk and thin film CaIrO₃ — •Kerstin Dörr, Yuriy Mokrousov, Stefan Blügel, and Marjana Lezaic — Peter Grünberg Institut, Forschungszentrum Jülich and JARA, 52425 Jülich, Germany

One of the very lively research fields in condensed-matter physics is focussing on transition-metal oxides (TMO), due to a large variety of interesting physical properties they present that can be exploited in potential applications. Especially the question what drives a TMO to become insulating or metallic is an ongoing discussion, owing to the complexity of the physical effects that play a role in such systems. E.g., in well studied 3d compounds the enhanced onsite Coulomb repulsion drives the system into an insulating state. In contrast to this, in 5d TMOs the Coulomb repulsion is reduced but its interplay with the spin-orbit coupling can again force the system to become insulating, undergoing the so called spin-orbital Mott transition. In this talk we will discuss these effects in the 5d TMO CaIrO₃ in orthorhombic perovskite form. Furthermore, we will present our first-principles study of the influence of magnetism and the modifications of the bulk bandstructure of this compound in thin films.