An amorphous carbon structure is obtained with a computer simulation based on a first-principles molecular-dynamics method, in which the interatomic potential is constructed directly from the electronic ground state, using density-functional techniques. From our results, which agree well with the limited experimental information available, we analyze the short-range order, particularly the fractions of sp² and sp³ sites, together with the electronic properties.
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Galli et al. (1989) studied this question.
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