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Structural trends in amorphous carbon
- Source :
- Physical Review B. 50:12429-12436
- Publication Year :
- 1994
- Publisher :
- American Physical Society (APS), 1994.
-
Abstract
- Amorphous carbon (a-C) structures over a wide range of densities are generated using tight-binding molecular-dynamics simulations. The a-C networks obtained by quenching low-density liquids consist of mostly threefold coordinated atoms. These a-C structures correspond to those obtained experimentally by evaporation of sputtering of graphite. However, the a-C networks generated by quenching high-density liquids are found to be dominated by tetrahedral bonding sites, which resemble the diamondlike a-C films produced by the mass-selected ion beam deposition technique. Our study shows that the shape and position of the first peak of the radial distribution function in a-C are very sensitive to the relative concentration of sp, ${\mathit{sp}}^{2}$, and ${\mathit{sp}}^{3}$ bondings. The peak position shifts towards larger distance as the percentage of the fourfold sites increases, which gives a good indication of the relative population of threefold to fourfold sites in the system.
- Subjects :
- Quenching
Range (particle radiation)
education.field_of_study
Materials science
Population
High density
chemistry.chemical_element
Crystal structure
Radial distribution function
Molecular physics
Molecular dynamics
Ion beam deposition
Distribution function
chemistry
Amorphous carbon
Chemical physics
Tetrahedron
Low density
Atomic physics
education
Carbon
Subjects
Details
- ISSN :
- 10953795 and 01631829
- Volume :
- 50
- Database :
- OpenAIRE
- Journal :
- Physical Review B
- Accession number :
- edsair.doi.dedup.....6fd66b6d3a9e8aaea80ed3530fac0eb2