Theoretical Study of Band Structrues of Crystalline K₂RbC₆₀ and KRb₂C₆₀

In this paper we reported three dimensional EHMO crystal orbital calculations of the band Structures of crystalline K₂RbC₆₀ and KRb₂C₆₀. Our calculation results include the various projected density of states, net charges for atoms and orbitals, crystal orbital vectors, and overlap populations. Most of these have not yet been reported by other reporters. All these results could explain the conductivity and superconductivity of K₂RbC₆₀, KRb₂C₆₀ and are in good agreement with experiment results.