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29 March 2024
 
  » arxiv » physics/9902047

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Noncollinear magnetic ordering in small Chromium Clusters
C. Kohl ; G.F. Bertsch ;
Date 18 Feb 1999
Subject Atomic and Molecular Clusters | physics.atm-clus
AffiliationINT, University of Washington
AbstractWe 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.
Source arXiv, physics/9902047
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