Eur. Phys. J. D 16, 185-188 (2001)
https://doi.org/10.1007/s100530170088

Non-collinear magnetic moments of seven-atom Cr, Mn and Fe clusters

Faculty of Engineering, Shizuoka University, Hamamatsu 432-8561, Japan

Corresponding author: ^a fujima@eng.shizuoka.ac.jp

Received: 30 November 2000
Published online: 15 September 2001

Abstract

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.