First principles study of the carbon-(silicon-) doped La13 clusters

Journal of Chemical Physics

Volumn 122, Issue 11, 2005, Pages

  Zhang, Dong Bo ^a,b   Shen, Jiang ^a,b   Chen, Nan Xian ^b  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY BEIJING   (China)

^b TSINGHUA UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTERS; DOPING PROCESS; ELECTRONIC SHELLS; STRUCTURAL STABILITY;

CARBON; DOPING (ADDITIVES); ELECTRONIC STRUCTURE; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION; SILICON;

LANTHANUM COMPOUNDS;

EID: 18644366036     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1863933     Document Type: Article

References (27)

1. X. G. Gong and V. Kumar, Phys. Rev. Lett. 70, 2078 (1993).
2. V. Kumar, S. Bhattacharjee, and Y. Kawazoe, Phys. Rev. B 61, 8541 (2000).
3. W. A. de Heer, W. D. Knight, M. Y. Chou, and M. L. Cohen, in Solid State Physics, edited by, H. Ehrenreich, and, D. Turnbull, (Academic, New York, 1987), Vol. 40, p. 93.
4. V. Kumar, Prog. Cryst. Growth Charact. Mater. 34, 95 (1997).
5. X. Li, H. B. Wu, X.-B. Wang, and L.-S. Wang, Phys. Rev. Lett. 81, 1909 (1998).
6. M. D. Deshpande, D. G. Kanhere, I. Vasiliev, and R. M. Martin, Phys. Rev. B 68, 035428 (2003).
7. D.-B. Zhang and J. Shen, J. Chem. Phys. 120, 5081 (2004).
8. S.-Y. Wang, W. H. Duan, and C.-Y. Wang, J. Phys. B 35, 4015 (2002).
9. Q. Wang, Q. Sun, J.-Z. Yu, B.-L. Gu, Y. Kawazoe, and Y. Hashi, Phys. Rev. A 62, 063203 (2000).
10. V. Kumar and V. Sundararajan, Phys. Rev. B 57, 4939 (1998).
11. X. Li and L.-S. Wang, Phys. Rev. B 65, 153404 (2002).
12. J. Akola, H. Häkkinen, and M. Manninen, Phys. Rev. B 58, 3601 (1998).
13. J. A. Connor, in Metal Clusters in Catalysis, Studies in Surface Science and Catalysis, edited by, B. A. Gates, L. Guzci, and, H. Knoezinger, (Elsevier, Amsterdam, 1986), Vol. 29, p. 33.
14. G. Verhaegen, S. Smoes, and J. Drowart, J. Chem. Phys. 40, 239 (1964).
15. M. Dolg, H. Stoll, and H. Preuss, J. Chem. Phys. 90, 1730 (1989).
16. Erko̧, T. Batugcǧ, M. Hirata, and S. Tachimori, Chem. Phys. Lett. 314, 203 (1999).
17. T. Batuǧ, Erko̧, M. Hirata, and S. Tachimori, Phys. Rev. A 59, 3690 (1999).
18. Y. H. Luo and Y. Wang, Phys. Rev. A 64, 015201 (2001).
19. D.-B. Zhang and J. Shen, J. Chem. Phys. 120, 5104 (2004).
20. B. Delley, J. Chem. Phys. 92, 508 (1990).
21. B. Delley, J. Chem. Phys. 94, 7245 (1991).
22. CERIRS2, version 4.6, Property Prediction (Molecular Simulations Inc., San Diego, 2001).
23. F. A. Reuse and S. N. Khanna, Chem. Phys. Lett. 234, 77 (1995).
24. H. A. Jahn and E. Teller, Proc. R. Soc. London, Ser. A 161, 220 (1937).
25. F. S. Ham, J. Lumin. 85, 193 (2000).
26. J. A. Alonso, Chem. Rev. (Washington, D.C.) 100, 637 (2000).
27. S. Y. Wang, C. Y. Wang, J. H. Sun, W. H. Duan, and D. L. Zhao, Phys. Rev. B 65, 035101 (2001).