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VOLUME 82 (2005) | ISSUE 3 | PAGE 134
Electronic structure of fcc carbon
PACS: 71.18.+y, 71.20.Gj, 72.15.Eb
Abstract
We report first-principles calculations of the electronic structure for carbon in the fcc structure with the experimentally observed lattice parameter. The calculated orbital population shows that the chemical bond in fcc carbon is close to the s2p2 bonding with a small s-p hybridization. We find that, in contrast to graphite and diamond, fcc carbon exhibits metallic behavior with an electronic density of states at the Fermi level of 0.5 states/eV-atom.