Charge-induced structural changes in Al12C clusters

Physical Review B - Condensed Matter and Materials Physics

Volumn 70, Issue 7, 2004, Pages

  Li, S F ^a   Gong, X G ^a,b  

^a INSTITUTE OF GEOLOGY AND GEOPHYSICS   (China)

^b FUDAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM; CARBON;

ARTICLE; ATOMIC PARTICLE; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY;

EID: 19544378837     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.70.075404     Document Type: Article

References (35)

1. H. W. Kroto, J. R. Heath, S. C. O'Brina, R. F. Curl, and R. E. Smalley, Nature (London) 318, 162 (1985).
2. W. Kratschmer, L. D. Lamb, K. Fostiropoulos, and D. R. Huffman, Nature (London) 347, 354 (1990).
3. S. N. Khanna and P. Jena, Phys. Rev. Lett. 69, 1664 (1992).
4. X. G. Gong and V. Kumar, Phys. Rev. Lett. 70, 2078 (1993).
5. A. P. Seitsonen, M. J. Puska, M. Alatalo, R. M. Nieminen, V. Milman, and M. C. Payne, Phys. Rev. B 48, 1981 (1993).
6. X. G. Gong and V. Kumar, Phys. Rev. B 50, 17701 (1994).
7. A. P. Seitsonnen, K. Laasonnen, R. M. Nieminen, and M. L. Klein, J. Chem. Phys. 103, 8075 (1995).
8. X. G. Gong, Phys. Rev. B 56, 1091 (1997).
9. V. Kumar and V. Sundararajan, Phys. Rev. B 57, 4939 (1998).
10. V. Kumar, S. Bhattacharjee, and Y. Kawazoe, Phys. Rev. B 61, 8541 (2000).
11. V. Kumar and Y. Kawazoe, Phys. Rev. B 64, 115405 (2001).
12. Xi Li and Lai-Sheng Wang, Phys. Rev. B 65, 153404 (2002).
13. B. D. Leskiw and A. W. Castleman, Jr., Chem. Phys. Lett. 316, 31 (2000).
14. W. D. Knight, K. Clemenger, W. A. de Heer, W. A. Saunders, M. Y. Chou, and M. L. Cohen, Phys. Rev. Lett. 52, 2141 (1984).
15. M. Y. Chou and M. L. Cohen, Phys. Lett. 113A, 420 (1986).
16. O. Dolgounitcheva, V. G. Zakrzewski, and J. V. Ortiz, J. Chem. Phys. 111, 10762 (1999).
17. J. Akola, M. Manninen, H. Hakkinen, U. Landman, X. Li, and L. S. Wang, Phys. Rev. B 60, R11 297 (1999).
18. X. Li, H. Wu, X. B. Wang, and L. S. Wang, Phys. Rev. Lett. 81, 1909 (1998).
19. B. K. Rao and P. Jena, J. Chem. Phys. 111, 1890 (1999).
20. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
21. M. Schlüter and L. J. Sham, Phys. Today 35 (2), 36 (1982).
22. J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13 244 (1992).
23. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992).
24. G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11 169 (1996).
25. G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996).
26. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990).
27. D.S. Ginter, M. L. Ginter, and K. K. Innes, Astrophys. J. 139, 365 (1964).
28. C.R. Brazier, J. Chem. Phys. 98, 2790 (1993).
29. C. Kittel, Introduction to Solid State Physics, 7th ed. (Wiley, New York, 1995).
30. M. P. Teter, M. C. Payne, and D. C. Allan, Phys. Rev. B 40, 12 255 (1989).
31. Jae-Yel Yi, Dirk J. Oh, and J. Bernholc, Phys. Rev. Lett. 67, 1594 (1991).
32. B. K. Rao and P. Jena, J. Chem. Phys. 115, 778 (2001); J. Zhao, B. Liu, H. Zhai, R. Zhou, G. Ni and Z. Xu, Solid State Commun. 122, 543 (2002).
33. B. K. Rao and P. Jena, J. Chem. Phys. 115, 778 (2001); J. Zhao, B. Liu, H. Zhai, R. Zhou, G. Ni and Z. Xu, Solid State Commun. 122, 543 (2002).
34. C. Ashman, S. N. Khanna, and M. R. Pederson, Chem. Phys. Lett. 324, 137 (2000).
35. Xi Li, Lai-Sheng Wang, Alexander I. Boldyrev, and Jack Simons, J. Am. Chem. Soc. 121, 6033 (1999).