Electronic properties and Fermi surfaces MgCNi₃ and related intermetallics

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The band structure of the new perovskite-like superconductor MgCNi₃ was studied by the self-consistent FP-LMTO method. The superconducting properties of MgCNi₃ are associated with an intensive peak in the density of Ni3d states near the Fermi level. The absence of superconductivity for nonstoichiometric compositions MgC₁₋ₓNi₃ is due to the transition of the system to the magnetic state. The possibility of superconductivity was discussed for intermetallics ScBNi₃, InBNi₃, MgCCo₃ and MgCCu₃ which are isostructural with MgCNi₃.