Magnetic states of C-doped Ni43.75Co6.25Mn37.5In12.5 Heusler alloys
1 Chelyabinsk State University, Condensed Matter Department, 454001 Chelyabinsk, Russia
2 University of Duisburg-Essen, Faculty of Physics and Center for Nanointegration, CENIDE, D-47048 Duisburg, Germany
a Corresponding author: email@example.com
In this study, we present the results of first principles calculations of structural and magnetic equilibrium states of carbon doped Ni1.75Co0.25Mn1.5In0.5 Heusler alloy. The pseudopotential method within spin-polarized generalized gradient approximation is used. Different distributions of Mn, In and C atoms as well as different spin reference states are discussed by using a supercell approach. The ferromagnetic cubic austenite with substitution of C for Mn is found to be energetically stable. The addition of carbon has promoted the martensitic transformation from a ferromagnetic cubic structure to a ferrimagnetic tetragonal structure with c/a ratio of 1.35.
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