J. Tersoff
Applied Surface Science
We present electronic-structure calculations on chain-like compounds modelling the various microscopic components present in hydrogenated amorphous carbon (a-C: H) films. We demonstrate that the electronic properties are mainly governed by the graphitic component. We describe the influence of polyethylenic, diamond-like polyphenylic, and polyolefinic components on the electronic structure and discuss the nature of possible defects leading to states in the gap. © 1985, IOP Publishing Ltd.
J. Tersoff
Applied Surface Science
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INFOS 2005
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Robert W. Keyes
Physical Review B