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Structures and magnetic properties of gold-coated transition-metal clusters Mn13@Au20- and Co13@Au20- are studied within the framework of gradient-corrected density functional theory. The gold coating can result in either an enhanced or an attenuated effect on the magnetism of the core clusters. For Mn13@Au20-, the total magnetic moment is greatly enhanced to as high as 44 μB, more than 20-fold higher than that of the bare Mn13- cluster. For Co13@Au20-, however, the gold coating gives rise to an attenuation effect which leads to a reduction of the magnetic moment to 20μB from 30μB of the bare Co13- cluster.
Wang et al. (Sat,) studied this question.
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