Hostname: page-component-6bf8c574d5-86b6f Total loading time: 0 Render date: 2025-03-08T20:26:17.249Z Has data issue: false hasContentIssue false
  • English
  • Français

Energetics of Adsorbed Dimers VIA Self-Consistent Scattering Theory

Published online by Cambridge University Press:  28 February 2011

Peter J. Feibelman
Peter J. Feibelman*
Affiliation:
Sandia National Laboratories, P. O. Box 5800, Albuquerque, NM 87185
Get access

Abstract

A new approach to the surface electronic structure problem, based on a self-consistent scattering theory of point defects, permits 1st-principles calculations for an isolated cluster of adatoms and defects on an otherwise perfect infinite crystalline surface. A first numerical application of the method explains important observations concerning the interaction and diffusion of adatom dimers on Field Ion Microscope tips. Further studies will shed light on questions such as: What impurity species migrate to what kind of surface defects? What is the contribution of substrate atom positional relaxation to adsorption and diffusion barrier energies?

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 111: Symposium O – Microstructure and Properties of Catalysts , 1987 , 71
Copyright
Copyright © Materials Research Society 1988

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

1. Williams, A.R., Feibelman, P.J. and Lang, N.D., Phys. Rev. B35, 5433 (1982).Google Scholar
2. Feibelman, P.J., Phys. Rev. B 35, 2626 (1987).Google Scholar
3. Feibelman, P.J., Phys. Rev. Lett. 58, 2766 (1987).CrossRefGoogle Scholar
4. An extensive list of references is given in Ref. 3.Google Scholar
5. Koster, G.F. and Slater, J.C., Phys. Rev. 95, 1167 (1954).Google Scholar
6. Bernholc, J., Lipari, N.O. and Pantelides, S.T., Phys. Rev. B 21, 3545 (1980); G.A. Baraff and M. Schlüter, Phys. Rev. 19, 4965 (1979); P. Braspenning, R. Zeller, A. Lodder and P.H. Dederichs, Phys. Rev. B29, 703 (1984).Google Scholar
7. The Theory of the Inhomogeneous Electron, Lundqvist, S. and March, N.H., eds. (Plenum, New York, 1983).Google Scholar
8. van Hove, M., Tong, S.Y. and Stoner, N., Surf. Sci. 54, 259 (1976); Groupe d'Etudes de Surface, M. van Hove, S.Y. Tong and N. Stoner, 62, 567 (1977); N. Masud, R. Baudoing, D. Aberdam an dC. Gaubert, Groupe d'Etudes de Surface, 133, 580 (1983); P.E. Viljoen, B.J. Wessels, G.L.P. Berning and J.P. Roux, J. Vac. Sci. and Tech.20, 204 (1982).Google Scholar
9. Feibelman, P.J., to be published.Google Scholar