Dresden 2009 – wissenschaftliches Programm
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MA: Fachverband Magnetismus
MA 13: Poster Ia: Electron Theory (1); Magnetic Imaging (2,3); Thin Films (4-25); MSMA (26-33); Magn. Semiconductors (34-42); Magn. Half Metals and Oxides (43-60)
MA 13.60: Poster
Dienstag, 24. März 2009, 10:15–13:00, P1A
Structural and DFT studies on YFeMnO5 — •Torsten Weißbach1, Axel Lubk1, Tilmann Leisegang1, Thomas Führlich1, Falk Wunderlich1, Dmitri Souptel2, Günter Behr2, Igor Chaplygin4, Gotthard Seifert4, Dirk C. Meyer1, and Sibylle Gemming3 — 1Institut für Strukturphysik, TU Dresden — 2Institut für Festkörper-und Werkstoffforschung (IFW) Dresden — 3Forschungszentrum Dresden-Rossendorf — 4Institut für Physikalische Chemie und Elektrochemie, TU Dresden
Ferromagnetic and ferroelectric oxides of composition REMn2O5 have become known for exhibiting a coupling between those properties. On substitution of Fe in YMn2−xFexO5, the crystal structure is conserved, but the magnetic structure changes and the ferroelectricity disappears. X-ray diffraction measurements on a series of powders with different Fe content were employed to inspect the crystal structure whereas extended X-ray absorption fine structure measurements were done to identify the iron substitution site. Density functional theory calculations of the electronic structure for YMnFeO5 were carried out using the experimentally determined crystal structure data and the FPLO-5 program. Different magnetic structures are studied to determine the type of interaction between the magnetic ions.