Abstract
ABSTRACTAmorphous carbon networks generated by quenching high-density liquid from hightemperature using a tight-binding molecular dynamics method are found to be dominated by tetrahedral bonding sites. The overall structural and electronic properties of these networks resemble those observed in experimental diamond-like amorphous carbon films produced by the mass-selected ion beam deposition technique. Our study shows that bonding and antibonding of π states associated with pairs and quartets of threefold “defected-atoms” embedded in the fourfold matrix yield a band gap of about 2 eV.
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