Non-collinear magnetic moments of seven-atom Cr, Mn and Fe clusters
Faculty of Engineering, Shizuoka University, Hamamatsu 432-8561, Japan
Corresponding author: a email@example.com
Published online: 15 September 2001
The non-collinearity of magnetic moments of pentagonal bipyramid Cr7, Mn7 and Fe7 clusters is discussed. The magnetic moments are calculated by the discrete variational non-collinear spin-density functional method. For the Cr7 cluster, a coplanar magnetic arrangement appears at the large interatomic distance. With decreasing the interatomic distance, the coplanar arrangement changes to the parallel arrangement with a small absolute magnetic moment. For the Mn7 cluster, the magnetic arrangement changes from coplanar to antiparallel with decreasing the interatomic distance. Also for the Fe7 cluster, some coplanar magnetic moments appear at the interatomic distance of 2.23 Å. In these coplanar magnetic arrangements, the magnetic moment at the basal site of the pentagon rotates with a step of 144 degrees for the Cr7 clusters and 72 degrees for the Mn7 and Fe7 clusters.
PACS: 36.40.Cg – Electronic and magnetic properties of clusters / 75.75.+a – Magnetic properties of nanostructures
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2001