Berlin 2008 – scientific programme

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MA: Fachverband Magnetismus

MA 10: Magnetic Materials

MA 10.1: Talk

Monday, February 25, 2008, 15:15–15:30, H 1028

Spin Density Wave state in Chromium: density functional calculations — •Mathias Bayer, Manuel Richter, Klaus Koepernik, and Helmut Eschrig — IFW Dresden, P.O. Box 270116, 01171 Dresden, Germany

The ground state of Chromium is an incommensurable spin density wave with a period of about 42 atomic layers. Recent electronic structure calculations for Cr, including up to 40 layers, found an anti-ferromagnetic groundstate. We have used the full-potential local-orbital code FPLO, which has allowed us to consider up to 42 layers at a high accuracy of the total energy in LSDA. We have additionally applied a lattice distortion to simulate the effects of the concomitant charge density wave. The results are compared with experimental data and other calculations in the literature.