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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

Magnetic states of C-doped Ni43.75Co6.25Mn37.5In12.5Heusler alloys