Berlin 2008 – wissenschaftliches Programm

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MA: Fachverband Magnetismus

MA 22: Magnetic Particles / Clusters II

MA 22.1: Vortrag

Mittwoch, 27. Februar 2008, 14:00–14:15, H 1028

Magnetism in homonuclear 3d transition metal dimers — •Daniel Fritsch, Klaus Koepernik, Manuel Richter, and Helmut Eschrig — Leibniz Institute for Solid State and Materials Research IFW Dresden, PO Box 270116, D-01171 Dresden, Germany

We have investigated the structural and electronic properties of the 3d transition-metal dimers utilising the full-potential local-orbital program package FPLO [1] for the solution of the Kohn-Sham equations using the local spin density approximation (LSDA). Special emphasis has been laid on the magnetic properties of the transition-metal dimers which are obtained from spin polarised relativistic calculations. Since orbital moments are usually underestimated in these calculations we have additionally studied the influence of orbital polarisation corrections (OPC) on the orbital moments. Such corrections have been suggested by Eriksson et al. [2] and later in slightly modified form by Eschrig et al. [3]. The results will be compared with available experimental data and other theoretical investigations available in the literature.

[1] K. Koepernik and H. Eschrig, Phys. Rev. B 59, 1743 (1999); http://www.fplo.de.

[2] O. Eriksson, M. S. S. Brooks, and B. Johansson, Phys. Rev. B 41, 7311 (1990).

[3] H. Eschrig, M. Sargolzaei, K. Koepernik, and M. Richter, Europhys. Lett. 72 611 (2005).