Using ab initio calculations, we study the magnetic features of the FeₘCoₙ, m+n6 clusters and investigate the role of Co in enhancing the magnetism of the Fe grains. Our results show that the role of Co appears to be that of inducing structural changes in the grain which may lead to enhanced magnetic moments for the Co-Fe clusters as a result of the rehybridization process and the following respecification of the effective band filling. Since the structural changes can efficiently be introduced by suitable templates, we point out that the anticipated role of Co in enhancing the magnetism of the Fe grains is not unique. This finding is in agreement with the recent experimental results.
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Mpourmpakis et al. (2005) studied this question.
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