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Physical Review B (Condensed Matter and Materials Physics) -- August 1, 1999 -- Volume 60, Issue 6 pp. 4205-4211

Noncollinear magnetic ordering in small chromium clusters

C. Kohl and G. F. Bertsch

Institute for Nuclear Theory–Department of Physics, University of Washington, Seattle, Washington 98195

(Received 16 February 1999)

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 nonlocal pseudopotentials and the ionic structure is optimized by Monte Carlo techniques. We find that small chromium clusters (N13) 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 Cr₁₂ and Cr₁₃. Our results further suggest that the trend to noncollinear configurations might be a feature common to most antiferromagnetic clusters. ©1999 The American Physical Society

URL: http://link.aps.org/abstract/PRB/v60/p4205
PACS: 36.40.Cg, 71.24.+q, 75.50.Ee, 87.53.Wz        Additional Information

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