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MA: Magnetismus

MA 13: Poster:Schichten(1-23),Spinabh.Trsp(24-41),Exch.Bias(42-56),Spindyn.(57-67),Mikromag.(68-76),Partikel(77-90),Spinelektr.(91-97),Elektr.Theo.(98-99),Mikromag+PhasÜ+Aniso.(100-105),Magn.Mat.(106-118),Messmethod.(119-121),Obflm.+Abbverf.(122-123)

MA 13.109: Poster

Dienstag, 9. März 2004, 15:00–19:00, Bereich A

Electronic Structure of Transition-Metal Dicyanamides Me[N(CN)2]2 (Me = Mn, Fe, Co, Ni, Cu) — •Takács Albert1, Chiuzbăian Sorin1, Crainic Traian Ionica1, Demchenko D. O.2, Filkenstein L.D.3, Galakhov V.R.3, Kmety Carmen R.4, Kurmaev E. Z.3, Liu Amy Y.2, Moevs A.5, Neumann Manfred1, and Stevensson Knneth L.61Universität Osnabrück — 2Department of Physics, Georgetown University, Washington — 3Institute of Metal Physics, Yekaterinburg — 4Argonne National Laboratory, USA — 5University of Saskatchewan, Canada — 6Purdue University Indiana , USA

The electronic structure of Me[N(CN)2]2 (Me=Mn, Fe, Co, Ni, Cu) molecular magnets has been investigated using x-ray emission spectroscopy (XES) and x-ray photoelectron spectroscopy (XPS) as well as theoretical density-functional-based methods. Both theory and experiments show that the top of the valence band is dominated by Me 3d bands, while a strong hybridization between C 2p and N 2p states determines the valence band electronic structure away from the top. The 2p contributions from non-equivalent nitrogen sites have been identified using resonant inelastic x-ray scattering spectroscopy with the excitation energy tuned near the N 1s threshold. The binding energy of the Me 3d bands and the hybridization between N 2p and Me 3d states both increase in going across the row from Me = Mn to Me = Cu. Calculations indicate that the ground-state magnetic ordering is largely dependent on the occupation of the metal 3d shell and that structural differences in the superexchange pathways for different compounds play a secondary role.

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DPG-Physik > DPG-Verhandlungen > 2004 > Regensburg