Structure and non-collinear magnetism of iron linear chains |
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| Authors: | N. Fujima and T. Oda |
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| Affiliation: | (1) Faculty of Engineering, Shizuoka University, Hamamatsu 432-8561, Japan;(2) Faculty of Science, Kanazawa University, Kanazawa 920-1192, Japan |
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| Abstract: | Atomic structures and non-collinear magnetic moments arecalculated by the first principle molecular dynamics forFe5 and Fe6 linearchains with several fixed and free chain-lengths. Thedimerization appears in the optimized atomic structures of allthe chains. For the Fe5, the magneticarrangement is parallel for a large chain-length and changes tonon-collinear with decreasing the chain-length. For theFe6, the magnetic arrangement isantiparallel in a unit of dimer for a small chain-length andchanges to non-collinear with increasing the chain-length. Thesemagnetic behaviors are simulated by a simpleJ1-J2 Heisenbergmodel. |
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| Keywords: | 31.15.Ar Ab initio calculations 36.40.Cg Electronic and magnetic properties ofclusters 73.22.-f Electronic structure of nanoscale materials:clusters, nanoparticles, nanotubes, and nanocrystals 75.75.+a Magnetic properties ofnanostructures |
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