Berlin 2015 – wissenschaftliches Programm
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TT: Fachverband Tiefe Temperaturen
TT 23: Magnetic Heuslers, Half-Metals, Semiconductors, and Oxides (organized by MA)
TT 23.10: Vortrag
Montag, 16. März 2015, 17:30–17:45, H 1012
Magnetic properties of the double perovskite Sr2FeOsO6: microscopic insights from ab-initio density-functional theory study — •sudipta kanungo1, binghai yan1,2, martin jansen3, and claudia felser1 — 1Max-Planck-Institut fur Chemische Physik fester Stoffe, 01187 Dresden, Germany — 2Max-Planck-Institut fur Physik komplexer Systeme, 01187, Dresden, Germany — 3Max-Planck-Institut fur Festkorperforschung, 70569 Stuttgart, Germany
Using density-functional theory calculations, we investigated the electronic and magnetic properties of the ordered 3d-5d double perovskite Sr2FeOsO6, which has recently drawn attention for interesting two step antiferromagnetic (AFM) phase transitions at low temperature in experiments. The calculated effective magnetic exchange interactions reveal the importance of long-range super-super-exchange interactions in this compound. The competition between the weak ferromagnetic Os-O-Fe short-range interaction and strong AFM Os-O-Fe-O-Os long-range interaction induces strong magnetic frustration along the crystallographic c axis. This frustration is proposed to drive the magnetic phase transition between two AFM phases in the low temperature and related lattice distortion, which were observed in experiment.
[Ref: Sudipta Kanungo, Binghai Yan, Martin Jansen, and Claudia Felser; Phys. Rev. B 89,214414 (2014)]
Email: Sudipta.Kanungo@cpfs.mpg.de