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Noncollinear magnetic order in antiferromagnetic and weak-ferromagnetic transition-metal clusters

机译：Noncollinear magnetic order in antiferromagnetic and weak-ferromagnetic transition-metal clusters

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The magnetic properties of transition-metal clusters having N less than or equal to 19 atoms are determined using a d-band model Hamiltonian within the unrestricted Hartree-Fock approximation, which allows noncollinear magnetic arrangements of the local magnetic moments (l) at different cluster atoms l. Results are given for (l) and for the average magnetic moment per atom mu(N) = (1/N)Sigma l(l) as a function of d-band filling, nd, and J/W (J refers to the d-electron effective exchange integral and W to the d-band width). It is shown that compact clusters near half-band filling present antiferromagnetic-like noncollinear magnetic arrangements, which attempt to minimize antiferromagnetic frustration in nonbipartite structures. The resulting mu(N), are very small, in agreement with experiments in CTN clusters (typically mu(N), less than or equal to 0-5 mu(B) for N 19) For n(d) = 6.5-7 as a function of J/W, the clusters undergo a transition from antiferromagnetic- to ferromagnetic-like orders. Thereby a novel physical picture for the onset of ferromagnetism is discussed. Comparison is made with the available noncollinear ab initio results. (C) 2000 Published by Elsevier Science Ltd. All rights reserved. References: 21

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