Studies in Graphite and Related Compounds I: Electronic Band Structure in Graphite

The Bloch (tight-binding) approximation is applied to a study of graphite The Mean energy per atom and the internuclear distance are calculated in good agreement with experiment. Previous accounts are extended by including certain overlap imegrals and by dealing with a set of parallel layer planes instead of only one plane. The shape of the band due to the π-electrons is calculated, and the experimental x-ray emission spectrum of graphite is interpreted It is concluded that the role of σ-electrons is greater than is often supposed

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