Molecular dynamics studies of a-C:H film growth by energetic hydrocarbon molecule impact
| Autor: | M. Weiler, H.U. Jäger |
|---|---|
| Rok vydání: | 1998 |
| Předmět: |
Hydrogen
Mechanical Engineering chemistry.chemical_element Diamond General Chemistry engineering.material Electronic Optical and Magnetic Materials chemistry.chemical_compound Molecular dynamics Carbon film Amorphous carbon chemistry Acetylene Sputtering Chemical physics Materials Chemistry engineering Molecule Electrical and Electronic Engineering Atomic physics |
| Zdroj: | Diamond and Related Materials. 7:858-863 |
| ISSN: | 0925-9635 |
| DOI: | 10.1016/s0925-9635(97)00314-2 |
| Popis: | Classical molecular dynamics calculations were performed to study the deposition of thin hydrogenated carbon films. Hydrogen-covered diamond {111} and {001}(2 × 1) surfaces were bombarded with energetic acetylene (C2H2) molecules at impact energies ranging from 40 to 240 eV. Brenner's empirical hydrocarbon potential was used to model the atomic interactions. For single impacts, sputtering yields, as well as depth distributions for the deposited atoms, and for the changes in the coordinations of the carbon atoms, were computed. Carbon and hydrogen penetration probabilities are obtained which are in line with experimental results. Film growth was modelled for an 80 eV C2H2 beam and a diamond {111} substrate. A 4-fols coordinated amorphous carbon network is formed only in the immediate neighbourhood of the unperturbed substrate layers and only at low substrate temperatures (typically 100 K). This result seems to be favoured by the projectile hydrogen atoms. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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