Stair Magnetism: Distinct Magnetic States of Co<sub>5</sub>C<sub>5</sub> Carbide Isomers

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 have three Co-C bonds demonstrated distinctive magnetic states. The Co 5 C 5 carbide system showed a discrete magnetism. It was supposed that similar magnetic arrangements take place in endohedral metallofullerenes and filled nanotubes.