Abstract:
The electronic structure of the intercalated graphite compounds XC6 (X = Ca, Sr, Ba, Yb, and La) has been studied using the linearized augmented plane-wave method. It has been found that the electronic structure of the carbon layers in these compounds is qualitatively different from a two-dimensional graphite structure. A lower critical superconducting-transition temperature in YbC6, as compared with that in CaC6, at a higher electron density in the carbon layers can be explained by the strong hybridization of the p states of carbon and the d states of ytterbium near the Fermi level. An increase in the critical temperature would be expected in the compounds XC6 with Group III metals, for example, in LaC6.