Hostname: page-component-848d4c4894-8bljj Total loading time: 0 Render date: 2024-07-07T23:10:58.710Z Has data issue: false hasContentIssue false

Structural Energetics of Thin Coherently Strained Metallic Overlayers

Published online by Cambridge University Press:  25 February 2011

Brian W. Dodson
Affiliation:
Sandia National Laboratories, Albuquerque, NM 87185
Paul A. Taylor
Affiliation:
Sandia National Laboratories, Albuquerque, NM 87185
Get access

Abstract

Understanding of the growth, stability, and structural properties of coherently strained metal overlayers has achieved considerable importance because of the recent discovery of unique interfacial electronic states and catalytic properties of such systems. The structural stability of coherently strained metal films grown on a substrate composed of a different and lattice-mismatched metal is determined via atomistic calculations. An equilibrium energy balance criterion is used, which is evaluated with a Monte Carlo annealing optimization procedure in which the structural energy of the bimetallic system is obtained using the embedded atom method. The stability of coherently strained (100) bimetallic structures chosen from combinations of the fcc metals Ag, Au, Cu, Ni, Pd, and Pt has been studied. The predicted critical thicknesses agree remarkably well with experimental results, but disagree quantitatively with the continuum models.

Type
Research Article
Copyright
Copyright © Materials Research Society 1987

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

REFERENCES

1. See, for instance, Sinfelt, J.H., Acc. Chem. Res. 10, 15 (1977)Google Scholar
2. Christmann, K., Ertl, G., and Shimizu, H., J. Catalysis 61, 397 (1980)Google Scholar
3. Vickerman, J.C., Christmann, K., Ertl, G., Heimann, P., Himpsel, F.J., and Eastman, D.E., Surface Sci. 134, 367 (1983)Google Scholar
4. Houston, J.E., Peden, C.H.F., Blair, D.S., and Goodman, D.W., Surface Sci. 167, 427 (1986)Google Scholar
5. Houston, J.E., Peden, C.H.F., Feibelman, P.J., and Hamann, D.R., Phys. Rev. Lett. 56, 375 (1986)Google Scholar
6. Merwe, J.H. van der, J. Appl. Phys. 34, 123 (1963)Google Scholar
7. Jesser, W.A. and Matthews, J.W., Phil. Mag. 15, 1097 (1967); 17, 461 (1968); 17, 595 (1968)Google Scholar
8. For a survey, see Epitaxial Growth, parts A and B, Matthews, J.W., Ed. (Academic, New York, 1975)Google Scholar
9. Dodson, B.W. and Taylor, P.A., Appl. Phys. Lett. 49, 642 (1986)CrossRefGoogle Scholar
10. Daw, M.S. and Baskes, M.I., Phys. Rev. B 29, 6443 (1984)Google Scholar
11. Foiles, S.M., Baskes, M.I., and Daw, M.S., Phys. Rev. B 33, 7983 (1986)CrossRefGoogle Scholar
12. Rose, J.H., Smith, J.R., Guinea, F., and Ferrante, J., Phys. Rev. B 29, 2963 (1984)Google Scholar
13. Daw, M.S., Surface Sci. 166, L161 (1986)Google Scholar
14. Dodson, B.W., submitted to Phys Rev B (1986)Google Scholar
15. See, for example, Binder, K., in Monte Carlo Methods in Statistical Physics, Binder, K., Ed. (Springer, New York, 1979)Google Scholar
16. Chambers, A. and Jackson, D.C., Phil. Mag. 31, 1357 (1975)CrossRefGoogle Scholar
17. Chambers, S.A., Chen, H.W., Vitomirov, I.M., Anderson, S.B., and Weaver, J.H., Phys. Rev. B 33, 8810 (1986)Google Scholar
18. Matthews, J.W. and Crawford, J.L., Thin Solid Films 5, 187 (1970)Google Scholar
19. Merwe, J.H. van der, in Single Crystal Films (Pergamon, Oxford, 1964)Google Scholar
20. Chao, S.S., Vook, R.W., and Knabbe, E.A., in Proc of the Eighth International Vacuum Congress (1980)Google Scholar
21. Knabbe, E.A., Chao, S.S., and Vook, R.W., Proc of the Eighth International Vacuum Congress (1980)Google Scholar