Tight-binding study of thermal expansions for Mo 3Si

Journal of Applied Physics

Volumn 99, Issue 5, 2006, Pages

  Ma, Ning ^a   Cooper, Bernard R ^a   Kang, Bruce S ^a  

^a WEST VIRGINIA UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

REPULSIVE ENERGY; SLATER-KOSTER TIGHT-BINDING PARAMETERS; TIGHT BINDING; TRANSFERABILITY;

ALLOYING; BINDING ENERGY; MOLYBDENUM; MONTE CARLO METHODS; SILICON; THERMAL EXPANSION;

INTERMETALLICS;

EID: 33645213686     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2178401     Document Type: Article

References (25)

1. J. C. Slater and G. F. Koster, Phys. Rev. 94, 1498 (1954).
2. D. A. Papaconstantopoulos, Handbook of the Band Structure of Elemental Solids (Plenum, New York. 1986).
3. D. A. Papaconstantopoulos and M. J. Mehl, Phys. Rev. B 54, 4519 (1996);
4. S. H. Yang, M. J. Mehl, and D. A. Papaconstantopoulos, Phys. Rev. B ibid. 57, R2013 (1998).
5. D. A. Papaconstantopoulos and M. J. Mehl, Phys. Rev. B 64, 172510 (2001);
6. S. H. Yang, M. J. Mehl, and D. A. Papaconstantopoulos, J. Phys.: Condens. Matter 14, 1895 (2002).
7. A. K. McMahan and J. E. Klepeis, Phys. Rev. B 56, 12250 (1997).
8. A. K. McMahan and J. E. Klepeis, Mater. Res. Soc. Symp. Proc. 491, 199 (1998).
9. D. L. Price and B. R. Cooper, Phys. Rev. B 39, 4945 (1989);
10. D. L. Price, J. M. Wills, and B. R. Cooper, Phys. Rev. B ibid. 46, 11368 (1992).
11. D. Djajaputra and B. R. Cooper, Phys. Status Solidi B 236, 97 (2003).
12. O. K. Andersen and O. Jepsen, Phys. Rev. Lett. 53, 2571 (1984).
13. Th. Frauenheim, F. Weich, Th. Köhler, S. Uhlmann, D. Porezag, and G. Seifert, Phys. Rev. B 52, 11492 (1995);
14. J. Widany, Th. Frauenheim, Th. Köhler, M. Sternberg, D. Porezag, G. Jungnickel, and G. Seifert, Phys. Rev. B ibid. 53, 4443 (1996).
15. C. L. Briant, Mater. Res. Soc. Symp. Proc. 322, 461 (1994).
16. J. H. Schneibel, C. T. Liu, D. S. Easton, and C. A. Carmichael, Mater. Sci. Eng., A 261, 78 (1999);
17. I. Rosales and J. H. Schneibel, Intermetallics 8, 885 (2000);
18. H. Choe, D. Chen, J. H. Schneibel, and R. O. Ritchie, Intermetallics ibid. 9, 209 (1994);
19. J. H. Schneibel, C. J. Rawn, T. R. Watkins, and E. A. Payzant, Phys. Rev. B 65, 134112 (2002).
20. R. E. Cohen, M. J. Mehl, and D. A. Papaconstantopoulos, Phys. Rev. B 50, 14694 (1994).
21. C. Z. Wang, B. C. Pan, M. S. Tang, H. Haas, M. Sigalas, G. D. Lee, and K. M. Ho, Mater. Res. Soc. Symp. Proc. 491, 211 (1998).
22. M. S. Daw, S. M. Foiles, and M. I. Baskes, Mater. Sci. Rep. 9, 251 (1992).
23. M. J. Mehl, J. E. Osburn, D. A. Papaconstantopoulos, and B. M. Klein, Phys. Rev. B 41, 10311 (1990).
24. N. Ma, B. R. Cooper, and B. S. Kang, Office of Fossil Energy, Advanced Research Material Programs, U.S. Department of Energy Topical Report No. 4000013127, 2003 (unpublished).
25. F. C. Nix and D. MacNair, Phys. Rev. 61, 74 (1942).