Noncollinear magnetic ordering in small Chromium Clusters

Details Noncollinear magnetic ordering in small Chromium Clusters Noncollinear magnetic ordering in small Chromium Clusters

1999-02-18

arxiv.org/abs/physics/9902047v1

Physics

Atomic and Molecular Clusters

9 pages, RevTeX plus .eps/.ps figures

Scientific paper

10.1103/PhysRevB.60.4205

We investigate noncollinear effects in antiferromagnetically coupled clusters using the general, rotationally invariant form of local spin-density theory. The coupling to the electronic degrees of freedom is treated with relativistic non-local pseudopotentials and the ionic structure is optimized by Monte-Carlo techniques. We find that small chromium clusters (N \le 13) strongly favor noncollinear configurations of their local magnetic moments due to frustration. This effect is associated with a significantly lower total magnetization of the noncollinear ground states, ameliorating the disagreement between Stern-Gerlach measurements and previous collinear calculations for Cr_{12} and Cr_{13}. Our results further suggest that the trend to noncollinear configurations might be a feature common to most antiferromagnetic clusters.

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