Stair Magnetism: Distinct Magnetic States of Co<sub>5</sub>C<sub>5</sub> Carbide Isomers
- 1 ATG:biosynthetics, Merzhausen, Germany
Abstract
Ruffle magnetic landscape of transition metals (TM) is a trouble of material science that makes it hard to predict properties of nanomagnets [1,2]. It is not quite clear, whether jumps in magnetic activity is the intrinsic property of TM complexes or a controversy of computational experiments. To solve this problem, isomers of Co 5 C 5 carbide with various positions of carbon atoms on the vertices of Co 5 cluster were investigated in DFT (Density Functional Theory) computer simulations. It was found that magnetic moments of the carbide isomers increased with the decreasing number of Co–C bonds. However, C-2 isomers hav e three Co–C bonds demonstrated distinctive magnetic states. The Co 5 C 5 car bide system showed a discrete magnetism. It was supposed that similar magnetic arrangements take place in endohedral metallofullerenes and filled nanotubes.
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