Hostname: page-component-5cf477f64f-mgq6s Total loading time: 0 Render date: 2025-04-04T15:17:21.334Z Has data issue: false hasContentIssue false
  • English
  • Français

A Tight-Binding-Bond Approach to Interatomic Forces in Disordered Transition Metal Alloys

Published online by Cambridge University Press:  01 January 1992

A. Pasturel
A. Pasturel*
Affiliation:
Laboratoire de Thermodynamique et Physico-Chimie Métallurgiques, ENSEEG BP75, 38402 Saint Martin d' Hères, France
Get access

Abstract

A tight-binding-bond approach to interatomic forces in disordered transition metal-Aluminium alloys is presented. The bond-order is calculated on a Bethe lattice reference system, well adapted to topologically disordered alloy. It is shown that the bond-order depends strongly on the strength of the pd hybridization in the AB alloy, leading to non additive potentials with a strong preference for the formation of pair of unlike atoms and short bond-distances in the A-B pairs. This is illustrated by studying the structural properties of liquid Al80Ni20 and Al80Mn20 alloys using molecular dynamics simulations and by comparing our results with the available experimental ones.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 291: Symposium O – Materials Theory and Modeling , 1992 , 159
Copyright
Copyright © Materials Research Society 1993

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. Pettifor, D.G., Phys. Rev. Lett. 63, 2480 (1989)Google Scholar
2. Pettifor, D.G. and Aoki, M., Phil. Trans. R. Soc. Lond. A334, 439 (1991)Google Scholar
3. Manh, D. Nguyen and Pasturel, A., J. Phys.: Condens. Matter, submittedGoogle Scholar
4. Harrison, W.A., Electronic Structure and the Properties of Solids, published by Freeman (San Francisco, 1980)Google Scholar
5. Goodwin, L., Skinner, A.J. and D.G. Pettifor Europhys. Lett. 9, 701 (1989)Google Scholar
6. Maret, M., Pasturel, A. Senillou, C., Dubois, J.M., and Chieux, P., J. Phys. (Paris) 50, 295 (1989)Google Scholar
7. Maret, M., Pomme, T., Pasturel, A., and Chieux, P., Phys. Rev. B 42, 1598 (1990)Google Scholar
8. Sachdev, S. and Nelson, D.R., Phys. Rev. B 32, 4592 (1985)Google Scholar
9. Waseda, Y., Liquid Metals. 1976. IOP Conf. Proc. Ser. No. 30, edited by Evans, R. and Greenwood, D. A. (IOP, Bristol, 1977), p. 230 Google Scholar