Electronic structure of the new MgCNi3 superconductor and related intermetallic compounds

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The band structure of the new perovskite-like MgCNi3 superconductor is studied by the self-consistent FP-LMTO method. The superconducting properties of MgCNi3 are associated with the occurrence of an intense peak in the density of Ni3d states at the Fermi level. The absence of superconductivity for nonstoichiometric MgC1−x Ni3 compositions is caused by the transition of the system to a magnetic state. The possibilities of finding superconductivity for ScBNi3, InBNi3, MgCCo3, and MgCCu3 isostructural with MgCNi3 are discussed.

Translated from Pis’ma v Zhurnal Éksperimental’no \(\overset{\lower0.5em\hbox{\(\smash{\scriptscriptstyle\smile}\)}}{l}\) i Teoretichesko \(\overset{\lower0.5em\hbox{\(\smash{\scriptscriptstyle\smile}\)}}{l}\) Fiziki, Vol. 74, No. 2, 2001, pp. 127–132.
Original Russian Text Copyright © 2001 by Shein, Ivanovski \(\overset{\lower0.5em\hbox{\(\smash{\scriptscriptstyle\smile}\)}}{l}\) , Medvedeva.