Structural and electronic properties of amorphous carbon

Giulia Galli, Richard M. Martin, Roberto Car, Michele Parrinello

Research output: Contribution to journalArticlepeer-review

281 Scopus citations

Abstract

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.

Original languageEnglish (US)
Pages (from-to)555-558
Number of pages4
JournalPhysical review letters
Volume62
Issue number5
DOIs
StatePublished - 1989

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy

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