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${}_3$.

6 pages, 5 figures