Environment-dependent tight-binding model for molybdenum

Physical Review B - Condensed Matter and Materials Physics

Volumn 57, Issue 3, 1998, Pages 1461-1470

  Haas, H ^a   Wang, C ^b  

^a MAX PLANCK INSTITUTE FOR INTELLIGENT SYSTEMS   (Germany)

^b IOWA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001595278     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.57.1461     Document Type: Article

References (51)

1. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
2. N. Chetty, K. Stokbro, K. W. Jacobsen, and J. K. Nørskov, Phys. Rev. B 46, 3798 (1992).
3. M. S. Daw and M. I. Baskes, Phys. Rev. Lett. 50, 1285 (1983).
4. J. A. Moriarty, Phys. Rev. B 42, 1609 (1990).
5. W. A. Harrison, Electronic Structure and the Properties of Solids (Dover, New York, 1989).
6. D. Pettifor, Bonding and Structure of Molecules and Solids (Clarendon, Oxford, 1995).
7. A. P. Sutton, M. W. Finnis, D. G. Pettifor, and Y. Ohta, J. Phys. C 21, 35 (1988).
8. H. Haas, C. Elsässer, and M. Fähnle, J. Phys.: Condens. Matter 8, 10 353 (1996).
9. D. G. Pettifor and D. L. Weaire, The Recursion Method and Its Applications (Springer, Berlin, 1995).
10. A. P. Horsfield, A. M. Bratkosky, D. G. Pettifor, and M. Aoki, Phys. Rev. B 53, 1656 (1996).
11. M. W. Finnis and J. E. Sinclair, Philos. Mag. A 50, 45 (1984).
12. D. J. Chadi, Phys. Rev. Lett. 41, 1062 (1978).
13. Phys. Rev. Lett.D. J. Chadi59, 1691 (1988).
14. D. J. ChadiPhys. Rev. B 29, 785 (1984).
15. L. Goodwin, A. J. Skinner, and D. G. Pettifor, Europhys. Lett. 9, 701 (1989).
16. M. S. Tang, C. Z. Wang, C. T. Chan, and K. M. Ho, Phys. Rev. B 53, 979 (1996).
17. A. T. Paxton, J. Phys. D 29, 1689 (1996).
18. M. J. Mehl and D. A. Papaconstantopoulos, Phys. Rev. B 54, 4519 (1996).
19. C. M. Varma and W. Weber, Phys. Rev. Lett. 39, 1094 (1977).
20. J. Harris, Phys. Rev. B 31, 1770 (1985).
21. W. M. C. Foulkes and R. Haydock, Phys. Rev. B 39, 12 520 (1989).
22. P.-O. Löwdin, J. Chem. Phys. 18, 365 (1950).
23. J. L. Mercer, Jr. and M. Y. Chou, Phys. Rev. B 49, 8506 (1994).
24. A. N. Andriotis, J. Phys.: Condens. Matter 7, L61 (1995).
25. S. Serra, C. Molteni, and L. Miglio, J. Phys.: Condens. Matter 7, 4019 (1995).
26. R. E. Cohen, M. J. Mehl, and D. A. Papaconstantopoulos, Phys. Rev. B 50, 14 694 (1994).
27. O. K. Andersen and O. Jepsen, Phys. Rev. Lett. 53, 2571 (1984).
28. K. M. Ho, C. L. Fu, B. N. Harmon, W. Weber, and D. R. Hamann, Phys. Rev. Lett. 49, 673 (1982).
29. S. Buck, K. Hummler, and M. Fähnle, Phys. Status Solidi B 195, K9 (1996).
30. B. Meyer and M. Fähnle, Phys. Rev. 56, 13 595 (1997).
31. S. G. Louie, K. M. Ho, and M. L. Cohen, Phys. Rev. B 19, 1774 (1979).
32. C.-L. Fu and K. M. Ho, Phys. Rev. B 28, 5480 (1983).
33. C. Elsässer, N. Takeuchi, K. M. Ho, C.-T. Chan, P. Braun, and M. Fähnle, J. Phys.: Condens. Matter 2, 4371 (1990).
34. K. M. Ho, C. Elsässer, C.-T. Chan, and M. Fähnle, J. Phys.: Condens. Matter 4, 5189 (1992).
35. X. W. Wang, C. T. Chan, K. M. Ho, and W. Weber, Phys. Rev. Lett. 60, 2066 (1988).
36. L. J. Clarke, Surf. Sci. 91, 131 (1980).
37. H. Hellmann, Einführung in die Quantenchemie (Deuticke, Leipzig, 1937).
38. R. P. Feynman, Phys. Rev. 56, 340 (1939).
39. Y. Waseda, K. Hirata, and M. Ohtani, High Temp.-High Press. 7, 221 (1975).
40. F. H. Featherston and J. R. Neighbours, Phys. Rev. 130, 1324 (1963).
41. R. Ziegler and H.-E. Schaefer, Mater. Sci. Forum 15-18, 145 (1987).
42. B. Meyer (private communication).
43. D. H. Tsai, R. Bullough, and R. C. Perrin, J. Phys. C 3, 2022 (1970).
44. W. Frank, U. Breier, C. Elsässer, and M. Fähnle, Phys. Rev. Lett. 77, 518 (1996).
45. K. Kunc, in Electronic Structure Dynamics and Quantum Structured Properties of Condensed Matter, edited by D. T. Devreese and P. van Camp (Plenum, New York, 1985), p. 227.
46. B. M. Powell, P. Martel, and A. D. B. Woods, Can. J. Phys. 55, 1601 (1977).
47. J. Zarestky, C. Stassis, B. N. Harmon, K. M. Ho, and C. L. Fu, Phys. Rev. B 28, 697 (1983).
48. A. Ignatiev, F. Jona, H. D. Shih, D. W. Jepsen, and P. M. Marcus, Phys. Rev. B 11, 4787 (1975).
49. E. Hulpke and D. M. Smilgies, Phys. Rev. B 43, 1260 (1991).
50. M. Methfessel, D. Hennig, and M. Scheffler, Phys. Rev. B 46, 4816 (1992).
51. S. C. Hong and J. I. Lee, in International Conference on the Physics of Transition Metals, edited by P. M. Oppeneer and F. Kübler (World Scientific, Singapore, 1992), p. 524.