Reexamine structures and relative stability of medium-sized silicon clusters: Low-lying endohedral fullerene-like clusters Si30-Si38

Physics Letters, Section A: General, Atomic and Solid State Physics

Volumn 373, Issue 41, 2009, Pages 3757-3760

  Yoo, Soohaeng ^a   Shao, Nan ^a   Zeng, X C ^a  

^a UNIVERSITY OF NEBRASKA LINCOLN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONSTRAINED OPTIMIZATION; DENSITY FUNCTIONAL THEORY; FULLERENES; ISOMERS; SILICON;

BASIN-HOPPING METHODS; DENSITY FUNCTIONAL THEORY METHODS; ENDOHEDRAL FULLERENE; GEOMETRY OPTIMIZATION; LOWEST ENERGY STRUCTURE; MAGIC-NUMBER CLUSTERS; PERDEW-BURKE-ERNZERHOF; RELATIVE STABILITIES;

BINDING ENERGY;

EID: 70149094739     PISSN: 03759601     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physleta.2009.08.009     Document Type: Article

References (41)

1. Sieck A., Frauenheim Th., and Jackson K.A. Phys. Status Solidi B 240 (2003) 537
2. Yoo S., and Zeng X.C. J. Chem. Phys. 119 (2003) 1442
3. Yoo S., Zeng X.C., Zhu X., and Bai J. J. Am. Chem. Soc. 125 (2003) 13318
4. Yoo S., Zhao J.J., Wang J.L., and Zeng X.C. J. Am. Chem. Soc. 126 (2004) 13845
5. Nair N.N., Bredow T., and Jug K. J. Comput. Chem. 25 (2004) 1255
6. Ma S., Wang G., Wang J., and Xue L. Phys. Lett. A 337 (2005) 216
7. Zhao J., Wang J., Jellinek J., Yoo S., and Zeng X.C. Eur. Phys. J. D 34 (2005) 35
8. Yoo S., and Zeng X.C. J. Chem. Phys. 123 (2005) 164303
9. Wang J., Zhou X., Wang G., and Zhao J. Phys. Rev. B. 71 (2005) 113412
10. B.-x. Li, Phys. Rev. B 71 (2005) 235311
11. Bai J., Cui L.-F., Wang J., Yoo S., Li X., Jellinek J., Koehler C., Frauenheim T., Wang L.-S., and Zeng X.C. J. Phys. Chem. A 110 (2006) 908
12. Yoo S., and Zeng X.C. J. Chem. Phys. 124 (2006) 054304
13. Yoo S., Shao N., Koehler C., Frauenheim Th., and Zeng X.C. J. Chem. Phys. 124 (2006) 164311
14. Zhou R.L., and Pan B.C. Phys. Rev. B 73 (2006) 045417
15. Ona O., Bazterra V.E., Caputo M.C., Facelli J.C., Fuentealba P., and Ferraro M.B. Phys. Rev. A 73 (2006) 053203
16. Ma L., Zhao J., Wang J., Wang B., and Wang G. Phys. Rev. A 73 (2006) 063203
17. Zhou R.L., and Pan B.C. Phys. Lett. A 368 (2007) 396
18. Wang J., Zhao J., Ma L., and Wang G. Eur. Phys. J. D 45 (2007) 289
19. Yoo S., Shao N., and Zeng X.C. J. Chem. Phys. 128 (2008) 104316
20. Zhou R.L., and Pan B.C. Eur. Phys. J. D 47 (2008) 367
21. Ho K.-M., Shvartsburg A.A., Pan B., Lu Z.-Y., Wang C.-Z., Wacker J.G., Fye J.L., and Jarrold M.F. Nature 392 (1998) 582
22. Wales D.J., and Scheraga H.A. Science 285 (1999) 1368
23. Rata I., Shvartsburg A.A., Horoi M., Frauenheim Th., Siu K.W.M., and Jackson K.A. Phys. Rev. Lett. 85 (2000) 546
24. Jackson K.A., Horoi M., Chaudhuri I., Frauenheim T., and Shvartsburg A.A. Phys. Rev. Lett. 93 (2004) 013401
25. Goedecker S. J. Chem. Phys. 120 (2004) 9911
26. Yoo S., and Zeng X.C. Angew. Chem. Int. Ed. 44 (2005) 1491
27. Menon M., and Subbaswamy K.R. Phys. Rev. B 50 (1994) 11577
28. Porezag D., Frauenheim Th., Köhler Th., Seifert G., and Kaschner R. Phys. Rev. B 51 (1995) 12947
29. Wang C.Z., Pan B.C., and Ho K.M. J. Phys.: Condens. Matter 11 (1999) 2043
30. Fowler P.W., and Manolopoulos E.D. An Atlas of Fullerenes (1995), Clarendon, Oxford, UK
31. Zhu X., Zeng X.C., Lei Y., and Pan B. J. Chem. Phys. 120 (2004) 8985
32. Perdew J.P., Burke K., and Ernzerhof M. Phys. Rev. Lett. 77 (1996) 3865
33. Becke A.D. Phys. Rev. A 38 (1988) 3098
34. Perdew J.P. Phys. Rev. B 33 (1986) 8822
35. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
36. J. Hutter, A. Alavi, T. Deutsch, M. Bernasconi, S. Goedecker, D. Marx, M. Tuckerman, M. Parrinello, CPMD, VERSION 3.7.1, MPI für Festkörperforschung Stuttgart, 2001
37. Troullier N., and Martins J.L. Phys. Rev. B 43 (1991) 1993
38. Goedecker S., Teter M., and Hutter J. Phys. Rev. B 54 (1996) 1703
39. Hartwigsen C., Goedecker S., and Hutter J. Phys. Rev. B 58 (1998) 3641
40. Elkind J.L., Alford J.M., Weiss F.D., Laaksonen R.T., and Smalley R.E. J. Chem. Phys. 87 (1987) 2397
41. Maruyama S., Anderson L.R., and Smalley R.E. J. Chem. Phys. 93 (1990) 5349