Embedded cluster and supercell study of the structure of the interstitial Cu-C solid solutions

International Journal of Quantum Chemistry

Volumn 70, Issue 4-5, 1998, Pages 1067-1073

  Ellis, Donald E ^a   Dorfman, Simon ^b   Fuks, David ^c   Evenhaim, Ronit ^c   Mundim, Kleber C ^a  

^a NORTHWESTERN UNIVERSITY   (United States)

^b TECHNION ISRAEL INSTITUTE OF TECHNOLOGY   (Israel)

^c BEN GURION UNIVERSITY OF THE NEGEV   (Israel)

Author keywords

Composites; Electronic structure calculations; Microstructure; Solid solutions

Indexed keywords

EID: 0004180737     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1097-461x(1998)70:4/5<1085::aid-qua56>3.0.co;2-0     Document Type: Article

References (21)

1. R. F. Gibson and G. M. Newaz, Eds., Proceedings of the American Society for Composites, 12th Technical Conference, October 6-8, 1997, Dearborn, Michigan (Technomic, Lancaster, 1997).
2. X. Kuang, G. Caronuto, Z. Zhou, and L. Nicolais, Sci. Eng. Composite Mater. 50, 9 (1996).
3. S. Dorfman and D. Fuks, Composites 27A, 697 (1996).
4. D. A. Mortimer and M. J. Nicholas, J. Mater. Sci. 5, 149 (1970).
5. S. J. Sun and M. D. Zhang, J. Mater. Sci. 26, 5762 (1991).
6. R. Evenhaim, D. Fuks, S. Dorfman, A. Bemer, and D. E. Ellis, submitted.
7. S. Dorfman and D. Fuks, Composite Interfaces 3, 431 (1996).
8. D. E. Ellis, Ed., Electronic Density Functional Theory of Molecules, Clusters, and Solids (Kluwer, Dordrecht, 1994).
9. O. K. Andersen, Phys. Rev. B 12, 3060 (1975); H. L. Skriver, The LMTO Method (Springer, New York, 1984).
10. O. K. Andersen, Phys. Rev. B 12, 3060 (1975); H. L. Skriver, The LMTO Method (Springer, New York, 1984).
11. D. E. Ellis, J. Guo, and D. J. Lam, Rev. Solid State Sci. 5, 227 (1991).
12. D. E. Ellis, E. Baggio-Saitovich, and D. J. Lam, Physica C 198, 57 (1992); J. Guo, D. E. Ellis, and D. J. Lam, Phys. Rev. B 45, 13647 (1992).
13. D. E. Ellis, E. Baggio-Saitovich, and D. J. Lam, Physica C 198, 57 (1992); J. Guo, D. E. Ellis, and D. J. Lam, Phys. Rev. B 45, 13647 (1992).
14. O. Eriksson, B. Johansson, M. S. S. Brooks, H. L. Skriver, Phys. Rev. B 40, 9519 (1989).
15. V. N. Antonov, B. Yu. Yavorsky, A. P. Shpak, Vi. N. Antonov, O. Jepsen, G. Guizzetti, and F. Marabelli, Phys. Rev. B 53, 15631 (1996).
16. C. Felser, J. Kohler, A. Simon, and O. Jepsen, Phys. Rev. B 57, 1510 (1998).
17. A. Christensen, A. V. Ruban, P. Stoltze, K. W. Jacobsen, H. L. Skriver, J. K. Norskov, and F. Besenbacher, Phys. Rev. B 56, 5822 (1997); A. I. Landa, A. V. Ruban, I. A. Abrikosov, P. Wynblatt, and H. L. Skriver, Structure and Evolution of Surfaces, R. C. Cammarata, E. H. Chason, T. L. Einstein, and E. D. Williams, MRS Symposium Proceedings 440, 467 (1997).
18. A. Christensen, A. V. Ruban, P. Stoltze, K. W. Jacobsen, H. L. Skriver, J. K. Norskov, and F. Besenbacher, Phys. Rev. B 56, 5822 (1997); A. I. Landa, A. V. Ruban, I. A. Abrikosov, P. Wynblatt, and H. L. Skriver, Structure and Evolution of Surfaces, R. C. Cammarata, E. H. Chason, T. L. Einstein, and E. D. Williams, MRS Symposium Proceedings 440, 467 (1997).
19. S. Mirbt, I. A. Abrikosov, B. Johansson, and H. L. Skriver, Phys. Rev. B 55, 67 (1997).
20. S. Dorfman and D. Fuks, in Proceedings of the American Society for Composites, R. F. Gibson and G. M. Newaz, Eds., 12th Technical Conference, October 6-8, 1997, Dearborn, Michigan (Technomic, Lancaster, 1997), p. 1151.
21. α calculations (unpublished).