Structure and non-collinear magnetism of iron linear chains
Faculty of Engineering, Shizuoka University, Hamamatsu 432-8561, Japan
2 Faculty of Science, Kanazawa University, Kanazawa 920-1192, Japan
Corresponding author: a firstname.lastname@example.org
Published online: 3 July 2003
Atomic structures and non-collinear magnetic moments are calculated by the first principle molecular dynamics for Fe5 and Fe6 linear chains with several fixed and free chain-lengths. The dimerization appears in the optimized atomic structures of all the chains. For the Fe5, the magnetic arrangement is parallel for a large chain-length and changes to non-collinear with decreasing the chain-length. For the Fe6, the magnetic arrangement is antiparallel in a unit of dimer for a small chain-length and changes to non-collinear with increasing the chain-length. These magnetic behaviors are simulated by a simple J1-J2 Heisenberg model.
PACS: 31.15.Ar – Ab initio calculations / 36.40.Cg – Electronic and magnetic properties of clusters / 73.22.-f – Electronic structure of nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals / 75.75.+a – Magnetic properties of nanostructures
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2003