Elastic interaction of oxygen atoms on a graphite surface
- 15 November 2002
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 66 (17) , 172101
- https://doi.org/10.1103/physrevb.66.172101
Abstract
The elastic interaction energy between two oxygen atoms deposited on a graphite basal plane is calculated by atomic ab initio simulations and continuum theory of elasticity. The comparison between the results obtained with the two different methods, despite their usual length scale domain of application, is very good; attractive and repulsive behaviors are found. We speculate that this type of interaction could play an important role in the rearrangement of oxygen atoms experimentally observed after a weak oxidation of a graphite surface.Keywords
This publication has 18 references indexed in Scilit:
- First-principles study of the atomic oxygen adsorption on the (0 0 0 1) graphite surface and dissolutionApplied Surface Science, 2001
- Role of nitrogen in the formation of hard and elasticthin films by reactive magnetron sputteringPhysical Review B, 1999
- Elastic Interaction between Surface Defects in Thin LayersPhysical Review Letters, 1999
- Magnetism of epitaxial-transition-metal monolayers on graphitePhysical Review B, 1998
- Equilibrium Shapes and Properties of Epitaxially Strained IslandsPhysical Review Letters, 1997
- Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis setComputational Materials Science, 1996
- Self-organized growth of strained InGaAs quantum disksNature, 1994
- Soft self-consistent pseudopotentials in a generalized eigenvalue formalismPhysical Review B, 1990
- Elastic interaction of two atoms adsorbed on a solid surfaceSurface Science, 1977
- Diamond-Graphite Equilibrium Line from Growth and Graphitization of DiamondThe Journal of Chemical Physics, 1961