A density functional study of interactions at the metal-ceramic interfaces Al/MgAl2O4 and Ag/MgAl2O4

Physica Status Solidi (A) Applied Research

Volumn 166, Issue 1, 1998, Pages 417-428

  Kostlmeier S ^a   Elsasser C ^a   Meyer, B ^a   Finnis, M W ^b  

^a MAX PLANCK INSTITUTE FOR INTELLIGENT SYSTEMS   (Germany)

^b QUEEN'S UNIVERSITY BELFAST   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ADHESION; ALUMINUM; APPROXIMATION THEORY; CRYSTAL SYMMETRY; DISSOCIATION; ELECTRONIC STRUCTURE; INTERFACES (MATERIALS); MAGNESIUM COMPOUNDS; OPTIMIZATION; SILVER;

LOCAL DENSITY APPROXIMATION (LDA);

CERMETS;

EID: 0032025501     PISSN: 00318965     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1521-396X(199803)166:1<417::AID-PSSA417>3.0.CO;2-R     Document Type: Article

References (35)

1. A. M. STONEHAM and P. W. TASKER, J. Phys. C 18, L543 (1985).
2. D. M. DUFFY, J. H. HARDING, and A. M. STONEHAM, Acta Metall. et Mater. 40. S11 (1992).
3. D. M. DUFFY, J. H. HARDING, and A. M. STONEHAM, Phil. Mag. A67, 865 (1993).
4. M. W. FINNIS, Acta Metall. et Mater. 40. S25 (1992).
5. U. SCHÖNBERGER, O. K. ANDERSEN, and M. METHFESSEL, Acta Metall. et Mater. 40, S1 (1992).
6. J. R. SMITH, T. HONG, and D. J. SROLOVITZ, Phys. Rev. Lett. 72, 4021 (1994).
7. G. L. ZHAO, J. R. SMITH, J. RAYNOLDS, and D. J. SROLOVITZ, Interface Science 3, 289 (1996).
8. M. W. FINNIS, J. Phys.: Condensed Matter 8, 5811 (1996).
9. E. HEIFETS, E. A. KOTOMIN, and R. ORLANDO, J. Phys.: Condensed Matter 8, 6577 (1996).
10. R. BENEDEK, M. MINKOFF, and L. H. YANG, Phys. Rev. B 54, 7697 (1996).
11. V. VITEK, G. GUTEKUNST, J. MAYER, and M. RÜHLE, Phil. Mag. A71, 1219 (1996).
12. J. PURTON, S. C. PARKER, and D. W. BULLETT, J. Phys.: Condensed Matter 9, 5709 (1997).
13. C. LI, R. WU, A. J. FREEMAN, and C. L. FU, Phys. Rev. B 48, 8317 (1993).
14. U. SCHÖNBERGER, PhD Thesis, Universität Stuttgart, 1993.
15. C. KRUSE, PhD Thesis, Universität Stuttgart, 1994.
16. C. KRUSE, M. W. FINNIS, J. S. LIN, M. C. PAYNE, V. Y. MILMAN, A. DEVITA, and M. J. GILLAN, Phil. Mag. Lett. 73, 377 (1996).
17. A. M. STONEHAM and P. W. TASKER, Phil. Mag. B55, 237 (1987).
18. A. TRAMPERT, F. ERNST, C. P. FLYNN, H. F. FISCHMEISTER, and M. RÜHLE, Acta Metall. et Mater. 40, S227 (1992).
19. R. SCHWEINFEST, T. WAGNER, and F. ERNST, to be published.
20. P. HOHENBERG and W. KOHN, Phys. Rev. 136, B864 (1964).
21. W. KOHN and L. J. SHAM, Phys. Rev. 140, A1133 (1965).
22. D. M. CEPERLEY and B. J. ALDER, Phys. Rev. Lett. 45, 566 (1980).
23. J. P. PERDEW and A. ZUNGER, Phys. Rev. B 23, 5048 (1981).
24. S. G. LOUIE, K. M. HO, and M. L. COHEN, Phys. Rev. B 19, 1979 (1974).
25. C. ELSÄSSER, N. TAKEUCHI, K. M. HO, C. T. CHAN, P. BRAUN, and M. FÄHNLE, J. Phys.: Condensed Matter 2, 4371 (1990).
26. K. M. HO, C. ELSÄSSER, C. T. CHAN, and M. FÄHNLE, J. Phys.: Condensed Matter 4, 5189 (1992).
27. D. VANDERBILT, Phys. Rev. B 32, 8412 (1985).
28. J. H. ROSE, J. FERRANTE, and J. R. SMITH, Phys. Rev. Lett. 47, 675 (1981).
29. N. G. ZORINA and S. S. KVITKA, Kristallografiya 13, 599 (1969).
30. A. YONEDA, J. Phys. Earth 38, 19 (1990).
31. V. ASKARPOUR, M. H. MANGHNANI, S. FASSBENDER, and A. YONEDA, Phys. Chem. Minerals 19, 511 (1993).
32. M. L. BOLTZ, R. H. FRENCH, D. J. JONES, R. V. KASOWSKI, and F. OHNUCHI, Physica Scripta 41, 4404 (1990).
33. Y.-N. XU and W. Y. CHING, Phys. Rev. B 43, 4461 (1991).
34. W. B. PEARSON, A Handbook of Lattice Spacings and Structures of Metals and Alloys, Vol. 2, Pergamon Press, Oxford 1967.
35. C. KITTEL, Introduction to Solid State Physics, Wiley, New York 1986.