First-principles studies of isomerization processes of silicon clusters

Physical Review B - Condensed Matter and Materials Physics

Volumn 76, Issue 4, 2007, Pages

  Tsetseris, L ^a   Hadjisavvas, G ^a   Pantelides, S T ^a,b  

^a VANDERBILT UNIVERSITY   (United States)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 34547128369     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.76.045330     Document Type: Article

References (36)

1. J. Jellinek and D. H. Li, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.62.241 62, 241 (1989).
2. M. F. Jarrold and E. C. Honea, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja00028a010 114, 459 (1992).
3. M. F. Jarrold and J. E. Bower, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.462228 96, 9180 (1992).
4. E. Kaxiras and K. A. Jackson, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.71.727 71, 727 (1993).
5. U. Röthlisberger, W. Andreoni, and M. Parrinello, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.72.665 72, 665 (1994).
6. M. Jarrold, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100001a004 99, 11 (1995).
7. S. Ogut, J. R. Chelikowsky, and S. G. Louie, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.79.1770 79, 1770 (1997).
8. K. M. Ho, A. A. Shvartsburg, B. Pan, Z. Y. Lu, C. Z. Wang, J. G. Wacker, J. Fye, and M. F. Jarrold, Nature NATUAS 0028-0836 10.1038/33369 392, 582 (1998).
9. R. R. Hudgins, M. Imai, M. F. Jarrold, and P. Dugourd, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.480164 111, 7865 (1999).
10. Z. Y. Lu, C. Z. Wang, and K. M. Ho, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.61.2329 61, 2329 (2000).
11. L. Mitas, J. C. Grossman, I. Stich, and J. Tobik, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.84.1479 84, 1479 (2000).
12. I. Rata, A. A. Shvartsburg, M. Horoi, T. Frauenheim, K. W. Michael Siu, and K. A. Jackson, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.85.546 85, 546 (2000).
13. L. Mitas, J. Therien, R. Twesten, G. Belomoin, and M. H. Nayfeh, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1356447 78, 1918 (2001).
14. G. Belomoin, J. Therien, A. Smith, S. Rao, R. Twesten, S. Chaieb, M. H. Nayfeh, L. Wagner, and L. Mitas, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1435802 80, 841 (2002).
15. E. W. Draeger, J. C. Grossman, A. J. Williamson, and G. Galli, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.90.167402 90, 167402 (2003).
16. A. Sieck, T. Frauenheim, and K. A. Jackson, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/pssb.200301886 240, 537 (2003).
17. K. A. Jackson, M. Horoi, I. Chaudhuri, T. Frauenheim, and A. A. Shvartsburg, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.013401 93, 013401 (2004).
18. A. J. Williamson, C. Bostedt, T. van Buuren, T. M. Willey, L. J. Terminello, G. Galli, and L. Pizzagalli, Nano Lett. NALEFD 1530-6984 10.1021/nl049654m 4, 1041 (2004).
19. F. Balleto and R. Ferrando, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.77.371 77, 371 (2005).
20. F. A. Reboredo and G. Galli, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp0462254 109, 1072 (2005).
21. J. Bai, L. F. Cui, J. Wang, S. Yoo, X. Li, J. Jellinek, C. Koehler, T. Frauenheim, L. S. Wang, and X. C. Zeng, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp055874s 110, 908 (2006).
22. J. Wang, G. Wang, F. Ding, H. Lee, W. Shen, and J. Zhao, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(01)00522-X 341, 529 (2001).
23. S. Krishnamurty, K. Joshi, D. G. Kanhere, and S. A. Blundell, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.045419 73, 045419 (2006).
24. J. P. Perdew and Y. Wang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.45.13244 45, 13244 (1992).
25. P. E. Blöchl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
26. G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.1758 59, 1758 (1999).
27. G. Mills, H. Jónsson, and G. K. Schenter, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(94)00731-4 324, 305 (1995).
28. L. Tsetseris, S. W. Wang, and S. T. Pantelides, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2168680 88, 051916 (2006);
29. L. Tsetseris and S. T. Pantelides, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.97.116101 97, 116101 (2006).
30. M. R. Pederson, K. Jackson, D. V. Porezag, Z. Hajnal, and T. Frauenheim, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.2863 54, 2863 (1996).
31. P. Maragakis, S. A. Andreev, Y. Brumer, D. R. Reichman, and E. Kaxiras, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1495401 117, 4651 (2002).
32. S. Yoo, J. J. Zhao, J. L. Wang, and X. C. Zeng, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja046861f 126, 13845 (2004).
33. See EPAPS Document No. E-PRBMDO-75-053724 for animated movies (files si21. mpg, si27. mpg, si32. mpg, and si38. mpg) of the isomerization processes. For more information on EPAPS, see http://www.aip.org/pubservs/epaps. html.
34. S. Yoo, X. C. Zeng, X. Zhu, and J. Bai, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja029428j 125, 13318 (2003).
35. S. Yoo and X. C. Zeng, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2165181 124, 054304 (2006).
36. D. J. Wales, Mol. Phys. MOPHAM 0026-8976 10.1080/00268970210162691 100, 3285 (2002).