Berlin 2012 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 45: Correlated Electrons: Poster Session

TT 45.41: Poster

Donnerstag, 29. März 2012, 15:00–19:00, Poster B

Theoretical investigations on the magnetic properties of strongly correlated transition metal oxides — •J. Minar, S. Mankovsky, S. Bornemann, H. Ebert, and D. Ködderitzsch — Universität München, Department Chemie, Butenandtstr. 5-13, D-81377 München, Germany

We present a detailed theoretical investigation on the magnetic properties of the strongly correlated transition metal oxides MnO, FeO, CoO, NiO in their different magnetic structures. The Calculations were performed scalar as well as fully relativistically using the LSDA+U formalism implemented within the full potential Korringa Kohn Rostoker (KKR) Green’s function method. We will show results for the spin and orbital magnetic moments, exchange coupling constants as well as the magnetic anisotropy energies in these systems and we will also discuss how these quantities depend on the Hubbard parameter U.