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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 | Affiliation: | INT, University of Washington | Abstract: | 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. | Source: | arXiv, physics/9902047 | Services: | Forum | Review | PDF | Favorites |
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