Abstract
The non-collinearity of magnetic moments of pentagonal bipyramid Cr 7 , Mn 7 and Fe 7 clusters is discussed. The magnetic moments are calculated by the discrete variational non-collinear spin-density functional method. For the Cr 7 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 Mn 7 cluster, the magnetic arrangement changes from coplanar to antiparallel with decreasing the interatomic distance. Also for the Fe 7 cluster, some coplanar magnetic moments appear at the interatomic distance of 2.23 A. In these coplanar magnetic arrangements, the magnetic moment at the basal site of the pentagon rotates with a step of 144 degrees for the Cr 7 clusters and 72 degrees for the Mn 7 and Fe 7 clusters.
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