Dresden 2014 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 79: Correlated Electrons - Poster Session

TT 79.14: Poster

Mittwoch, 2. April 2014, 15:00–19:00, P2

Ab initio study of electronic correlation in SrRuO₃ — •Liang Si, Zhicheng Zhong, and Karsten Held — Institute of Solid State Physics, Vienna University of Technology, A-1040 Vienna, Austria

4d ferromagnetic oxide SrRuO₃ (SRO) has a great potential for future oxide electronic device applications, so the deep understanding and masterful control are important to its development and application. The ferromagnetic-to-nonmagnetic and metal-to-insulator transitions in SRO thin film, which depend on film thickness, are fancy properties, whereas there is no conclusion whether such two transitions are intrinsic properties because both DFT and DFT+U methods fail in simulation of such experimentally observed ferromagnetic-to-nonmagnetic and metal-to-insulator transitions. We employed DFT+DMFT method to study the electronic structures of SRO in bulk and thin film systems in order to explain the experimentally observed transitions at thin film. According to our calculations we suggest the following two conclusions regarding the experimentally observed transitions: firstly, both transitions in SRO thin films are intrinsic properties due to strongly electronic correlation rather than surface relaxation and defects effect, secondly, dynamic mean filed theory is necessary in studying of transition metal oxides especially for interface or thin film systems.