Electronic properties and Fermi surfaces MgCNi$_{3}$ and related intermetallics

Abstract

The band structure of the new perovskite-like superconductor MgCNi$_{3}$ was studied by the self-consistent FP-LMTO method. The superconducting properties of MgCNi$_{3}$ are associated with an intensive peak in the density of Ni3d states near the Fermi level. The absence of superconductivity for nonstoichiometric compositions MgC$_{1-x}$Ni$_{3}$ is due to the transition of the system to the magnetic state. The possibility of superconductivity was discussed for intermetallics ScBNi$_{3}$, InBNi$_{3}$, MgCCo$_{3}$ and MgCCu$_{3}$ which are isostructural with MgCNi$_{3}$.