Abstract
In the bulk noble metals there is considerable tension or opposition between two sets of forces: a pairwise repulsion due to the full d shells, and a multi-atom electron gas attraction from the sp electrons. Ideal, Gibbs surfaces tend to be unstable because the two forces react differently to the surface cut, upsetting their mutual equilibrium. In particular the flow of the mobile sp electrons can lead to expansive or contractive stresses, strongly dependent upon the local geometry and also sensitive to electron donors/acceptors. These stresses may in turn result in small surface relaxations or more major changes of the surface structure. This type of analysis is applied in detail to gold surfaces, reconciling apparently inconsistent experimental data. Wider implications are also mentioned.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 65-82 |
| Number of pages | 18 |
| Journal | Surface Science |
| Volume | 165 |
| Issue number | 1 |
| DOIs | |
| State | Published - Jan 1 1986 |
Funding
We are indebted to Dr. M.V. Nevitt for making the data on copper alloys available to us and allowing us to publish them together with the results for Ag and Au alloys. Dr. N. Christensen has kindly calculated the d-shell and sp-electron pressures for us and allowed us to quote the results prior to publication. We would also like to thank Dr. J.F. O'Keeffe for pointing out the Mg, O2 and N z data to us and Drs. D.G. Pettifor, J.P. Toennies, A. Lahee, O.K. Andersen for useful discussions and sending us preprints of their work. L.D. Marks would like to acknowledge financial support from both the SERC, UK and Department of Energy Grant No. DE-AC02-76ER022995, USA: similarly V. Heine from the SERC, UK.
ASJC Scopus subject areas
- Condensed Matter Physics
- Surfaces and Interfaces
- Surfaces, Coatings and Films
- Materials Chemistry