Berlin 2008 – wissenschaftliches Programm
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TT: Fachverband Tiefe Temperaturen
TT 32: Correlated Electrons: Poster Session
TT 32.79: Poster
Donnerstag, 28. Februar 2008, 14:00–18:00, Poster B
Magnetic ordering in striped nickelates — •Udo Schwingenschlögl1, Cosima Schuster1, and Raymond Frésard2 — 1Institut für Physik, Universität Augsburg, D-86135 Augsburg — 2Laboratoire CRISMAT, UMR CNRS-ENSICAEN(ISMRA) 6508, 6 Bld. du Maréchal Juin, F-14050 Caen
Stripe phases are observed in a large variety of materials, including layered copper and nickel oxides. It is expected that the electronic properties of these doped Mott insulators can be described using suitably chosen Hubbard models, care being taken of the orbital degeneracy for the nickelates. However, the ground state of the microscopic models depends crucially on the choice of parameters. Hence, an estimate from ab initio calculations is desirable. We report on the electronic and magnetic structure of the striped nickelate SrxLa2−xNiO4 with x=1/3, where diagonal filled stripes are formed, using DFT (GGA) calculations. In contrast to experimental findings, the LDA+U approach results in A-type diagonal filled antiferromagnetic stripes, while in the pure GGA scheme C-type diagonal filled stripes are favored. A further determination of the structural parameters is therefore required.