Electronic structure of carbon intercalated atoms in graphite. A single-layer approach

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Abstract
In the tight-binding approximation we calculate the electronic structure of carbon atoms intercalated between graphite layers. These interstitial carbons induce variation of the density of states which agree quite well with the few experimental data available. The energy and the equilibrium position of the interstitial atom are also compared with the measured values. We also show that the interstitial energy rapidly decreases when one adds a small amount of boron substitutional impurities. The interstitial carbons also considerably increase the density of states at the Fermi level as in other intercalated compounds.