Hostname: page-component-586b7cd67f-r5fsc Total loading time: 0 Render date: 2024-11-25T15:19:09.406Z Has data issue: false hasContentIssue false
  • English
  • Français

Density Functional Theory for Thin Film Adhesion

Published online by Cambridge University Press:  21 February 2011

L. Senbetu ,
J. G. Pronko  and
T. T. Bardin
L. Senbetu
Affiliation:
Lockheed Research and Development Division, D91-10 B255 3251 Hanover St., Palo Alto, Ca. 94304-1191
J. G. Pronko
Affiliation:
Lockheed Research and Development Division, D91-10 B255 3251 Hanover St., Palo Alto, Ca. 94304-1191
T. T. Bardin
Affiliation:
Lockheed Research and Development Division, D91-10 B255 3251 Hanover St., Palo Alto, Ca. 94304-1191
Get access

Abstract

A theoretical formalism to describe interface adhesion phenomena between materials has been developed. In this model electron densities, potentials, and adhesion energies of thin metal films at metal–semiconductor and metal–insulator interfaces are derived through a partially self–consistent calculation. The theory is based on a density–functional formalism applied to a simple model of the system in which the metal is replaced by a uniform positive background and the semiconductor by a continuum with a static dielectric constant. Numerical results of the metal electron density distribution and effective potential of Au–vacuum and Au–GaAs system, and the adhesion energy at Au–GaAs interface are presented. The interface energies are then used to estimate the adhesion strength and compare with experiment.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 119: Symposium F – Adhesions in Solids , 1988 , 75
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. Hohenberg, P. and Kohn, W., Phys. Rev. B136, 864 (1964); W. Kohn and L. J. Sham, P. Hohenberg and W. Kohn, Phys. Rev. A140, 1133 (1970).CrossRefGoogle Scholar
2. Monnier, R. and Perdew, J. P., Phys. Rev. B17, 2595(1978).CrossRefGoogle Scholar
3. Nieminen, R. M., J. Phys. F7, 375 (1977).Google Scholar
4. Lang, N. D. and Kohn, W., Phys. Rev. B1, 4555(1970);B7, 3541 (1973).CrossRefGoogle Scholar
5. Schulte, F. K., Surface Sci. 55, 427 (1976).CrossRefGoogle Scholar
6. Hedin, L. and Lundqvist, B. I., J. Phys. C4, 2664 (1971).Google Scholar
7. Inglesfield, J. E. and Wikborg, E., J. Phys. F5, 1475 (1975).Google Scholar
8. Bardin, T. T., Pronko, J. G. and Kinnel, D. K., Mat. Res. Soc. Symp. Proc. 77, 731 (1987).Google Scholar