Probing the sp^2 dependence of elastic moduli in ultrahard diamond films

Details Probing the sp^2 dependence of elastic moduli in ultrahard diamond films Probing the sp^2 dependence of elastic moduli in ultrahard diamond films

2007-02-20

arxiv.org/abs/cond-mat/0702470v1

Diam Relat Mater, 16 1643 (2007)

Physics

Condensed Matter

Materials Science

10 pages, 3 figures. to appear in Diamond and Relarted Materials

Scientific paper

10.1016/j.diamond.2007.02.014

The structural and elastic properties of diamond nanocomposites and ultrananocrystalline diamond films (UNCD) are investigated using both empirical potentials and tight binding schemes. We find that both materials are extremely hard, but their superb diamondlike properties are limited by their sp^2 component. In diamond composites, the sp^2 atoms are found in the matrix and far from the interface with the inclusion, and they are responsible for the softening of the material. In UNCD, the sp^2 atoms are located in the grain boundaries. They offer relaxation mechanisms which relieve the strain but, on the other hand, impose deformations that lead to softening. The higher the sp^2 component the less rigid these materials are.

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