Electronic structure of the new MgCNi3 superconductor and related intermetallic compounds

The band structure of the new perovskite-like MgCNi3 superconductor is stud ied by the self-consistent FP-LMTO method. The superconducting properties o f MgCNi3 are associated with the occurrence of an intense peak in the densi ty of Ni3d states at the Fermi level. The absence of superconductivity for nonstoichiometric MgC1 - xNi3 compositions is caused by the transition of t he system to a magnetic state. The possibilities of finding superconductivi ty for ScBNi3, InBNi3, MgCCo3, and MgCCu3 isostructural with MgCNi3 are dis cussed. (C) 2001 MAIK "Nauka/Interperiodica".