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Magnetic enhancement and magnetic reduction in binary clusters of transition metal atoms

, : Magnetic enhancement and magnetic reduction in binary clusters of transition metal atoms. Journal of Chemical Physics 120(24): 11901-4

Electronic and magnetic properties of small binary clusters containing one or two transition metal atoms are investigated using ab initio calculations with a view to explain the experimentally observed magnetic enhancement/reduction in these systems. As the present investigations do not rely on spin-orbit effects, our results reveal the enhancement or reduction in the magnetic moment to depend on two main factors; namely geometry and, most importantly, the d-band filling. The results can be used as a guide in the experimental synthesis of high density magnetic grains.


PMID: 15268224

DOI: 10.1063/1.1752878

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