Regensburg 2010 – wissenschaftliches Programm
DS 8.3: Vortrag
Montag, 22. März 2010, 14:30–14:45, H3
Electronic structure and magnetism in YFeMnO5 — •Torsten Weißbach1, Tilmann Leisegang2, Axel Lubk2, Dirk C. Meyer3, and Sibylle Gemming4 — 1Inst. f. Theoretische Physik, TU Bergakademie Freiberg — 2Inst. f. Strukturphysik, TU Dresden — 3Inst. f. Experimentelle Physik, TU Bergakademie Freiberg — 4Inst. f. Ionenstrahlphysik u. Materialforschung, Forschungszentrum Dresden
YFeMnO5 crystallizes in the structure type of the orthorhombic RMn2O5 class of oxides. These show a series of antiferromagnetic phases with propagation vectors (1/2-δ, 0, 1/4+є) below TN ≈ 45 K. For several of these phases, magnetism coexists with ferroelectricity. In YFeMnO5, only one commensurable ferrimagnetic phase was found below TN = 165 K, and ferroelectricity is absent. We apply crystallographic and quantum chemical methods to compare the Fe-substituted and the mangenese-only compounds. Diffraction experiments show slight displacements of the atom sites with increasing Fe content. The largest effects are related to crystal-field repulsion acting on the local metal 3d orbitals. The interaction between the magnetic metal ions is studied using DFT calculations starting with a bias magnetization of the atoms.
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