Skip to main content Accessibility help

Adsorption of Hydrocarbon Radicals on the Hydrogenated Diamond Surface

  • Mark R. Pederson (a1), Koblar A. Jackson (a2) and Warren E. Pickett (a1)


In order to gain insight into diamond growth, we have calculated equilibrium geometries for several adsorbates on the hydrogenated diamond <111> surface. While the adsorption height of a single methane radical onto a dangling bond is found to be in excellent agreement with the bulk-diamond bond length, the back bonded hydrogens of adjacent adsorbed methyl radicals repel one another. In contrast, adjacent acetlyinic radicals do not repel one another but lead to the introduction of double carbon bonds, misplaced carbon atoms above the active layer and a bond length which is too short in comparison to that of bulk diamond. Our calculations on the acetylene molecule near a dangling bond indicate that the resulting adsorbate bond length is substantially too large and that the carbon atom is unlikely to be stable directly above the surface carbon atom. Of the adsorbates studied, geometrical arguments suggest that the methyl radical is likely to be the most ideal adsorbate.



Hide All
1. Frenklach, M. and Spear, K. E., J. Mater. Res. 3, 133 (1988).
2. Tsuda, M., Nakajima, M., and Oikawa, S., J. Am. Chem. Soc. 108, 5780 (1986).
3. Chu, C. J., Bai, B. J., Hauge, R. H., D'Evelyn, M. P. and Margrave, J. L., Mat. Res. Soc. Symp. Proc., This issue.
4. Hohenberg, P. and Kohn, W., Phys. Rev. B 136, 864 (1964); W. Kohn and L. J. Sham, Phys. Rev. A 140, 1133 (1965).
5. Pederson, M. R., Klein, B. M., and Broughton, J. Q., Phys. Rev. B. 38 3825 (1988).
6. Pederson, M. R. and Jackson, K. A., To appear in Phys. Rev. B.
7. Jackson, K. A. and Pederson, M. R., To appear in Phys. Rev. B.
8. Pederson, M. R., Jackson, K. A. and Pickett, W. E., in Technology Update on Diamond Films, Ed. Chang, R. P. H., Nelson, D. and Hiraki, A., (Mat. Res. Soc., Pittsburgh 1989).
9. Pickett, W. E. and Wang, C. S., Phys. Rev. B 30, 4719 (1984).
10. Doughty, D. A., private communication.


Full text views

Total number of HTML views: 0
Total number of PDF views: 0 *
Loading metrics...

Abstract views

Total abstract views: 0 *
Loading metrics...

* Views captured on Cambridge Core between <date>. This data will be updated every 24 hours.

Usage data cannot currently be displayed