Berlin 2005 – wissenschaftliches Programm

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MA: Magnetismus

MA 20: Poster:Schichten(1-29),Spintrsp(30-45),Ex-Bias(46-63),Spindyn(64-75),Mikromat.(76-80),Cluster(81-94),Abbv.(95-99),Obflm(100-02),SpElek.(103-09),E-Theo(110-14),Mikromag.(115-16),Spin+PÜ(117-26),Mag.Mat.(127-51),Meth.(152-55),Mol.Mag(156-59),Kondo(160-65

MA 20.92: Poster

Montag, 7. März 2005, 14:00–18:00, Poster TU C

Segregation properties of Fe-Ni clusters — •Sanjubala Sahoo, Georg Rollmann und Peter Entel — Theoretical Low-Temperature physics, University of Duisburg-Essen, Lotharstr. 1, D-47048 Duisburg

Structure optimisation of Fe_nNi_N−n clusters has been performed using density functional theory and the generalised gradient approximation allowing for noncollinear magnetisation density. The calculations are carried out without imposing any symmetry constraints. Evaluation of the mixing energy of the clusters shows that mixed clusters are energetically more favourable than pure Fe and Ni clusters. Furthermore, the mixing energy not only depends on the size and composition of the clusters but also on their geometrical structures. Significant difference in energy is found for different arrangement of Fe and Ni atoms in the mixed cluster.