superconductor, is studied using self-consistent band-structure techniques. Analysis of the
transformation of the band structure for the hypothetical series of graphite–primitive graphite–
primitive graphitelike boron–intercalated boron, shows that the band structure of MgB 2 is
graphitelike, with π bands falling deeper than in ordinary graphite. These bands possess a
typically delocalized and metallic, as opposed to covalent, character. The in-plane σ bands …