Structure and chemical bonding in high density amorphous carbon
| Autor: | M. Kühn, Th. Frauenheim, Frank Richter, P. Blaudeck, U. Stephan, G. Jungnickel, S. Deutschmann |
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| Rok vydání: | 1994 |
| Předmět: |
Quenching
Diffraction Materials science Mechanical Engineering Analytical chemistry General Chemistry Microstructure Electronic Optical and Magnetic Materials Molecular dynamics Chemical bond Amorphous carbon Electron diffraction Computational chemistry Materials Chemistry Deposition (phase transition) Electrical and Electronic Engineering |
| Zdroj: | Diamond and Related Materials. 3:1056-1065 |
| ISSN: | 0925-9635 |
| DOI: | 10.1016/0925-9635(94)90118-x |
| Popis: | The microstructure of high density amorphous carbon materials prepared by direct and filtered cathodic are deposition was studied by electron diffraction measurements and molecular dynamic (MD) as well as Monte-Carlo (MC) modelling. The MD simulation, performed by quenching of a liquid, is based on a semiempirical density functional (DF) approach. The MC simulation uses a modified WWW algorithm and an empirical classical description of the atomic interactions. By comparison of the experimental results with theoretically simulated diffraction data, the atomic structure and chemical bonding in the a-C films are analysed and structure-property correlations are discussed. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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