Structure and electronic properties of Al13X (X=F, Cl, Br, and I) clusters

Physical Review B - Condensed Matter and Materials Physics

Volumn 72, Issue 15, 2005, Pages

  Jung, Jaehoon ^a   Kim, Jong Chan ^a   Han, Young Kyu ^a  

^a LG Chemical Ltd   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 29644445583     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.72.155439     Document Type: Article

References (43)

1. S. N. Khanna and P. Jena, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.69.1664 69, 1664 (1992).
2. S. N. Khanna and P. Jena, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.51.13705 51, 13705 (1995).
3. S. N. Khanna and P. Jena, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(94)00097-2 219, 479 (1994).
4. F. Liu, M. Mostoller, T. Kaplan, S. N. Khanna, and P. Jena, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(95)01339-3 248, 213 (1996).
5. F. Duque, A. Mañanes, L. M. Molina, M. J. López, and J. A. Alonso, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/qua.1603 86, 226 (2002).
6. W. D. Knight, K. Clemenger, W. A. de Heer, W. A. Saunders, M. Y. Chou, and M. L. Cohen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.52.2141 52, 2141 (1984).
7. X. Li, H. Wu, X.-B. Wang, and L.-S. Wang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.81.1909 81, 1909 (1998).
8. J. A. Alonso, Chem. Rev. (Washington, D.C.) CHREAY 0009-2665 10.1021/cr980391o 100, 637 (2000).
9. R. E. Leuchtner, A. C. Harms, and A. W. Castleman, Jr., J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.460716 94, 1093 (1991).
10. D. E. Bergeron, P. J. Roach, A. W. Castleman, Jr., N. O. Jones, and S. N. Khanna, Science SCIEAS 0036-8075 10.1126/science.1105820 307, 231 (2005).
11. A. Nakajima, K. Hoshino, T. Naganuma, Y. Sone, and K. Kaya, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.461434 95, 7061 (1991).
12. K. Hoshino, K. Watanabe, Y. Konishi, T. Taguwa, A. Nakajima, and K. Kaya, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(94)01287-3 231, 499 (1994).
13. O. C. Thomas, W.-J. Zheng, T. P. Lippa, S.-J. Xu, S. A. Lyapustina, and K. H. Bowen, Jr., J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1365110 114, 9895 (2001).
14. C. Majumder, G. P. Das, S. K. Kulshrestha, V. Shah, and D. G. Kanhere, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(96)01028-7 261, 515 (1996).
15. V. Kumar, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.57.8827 57, 8827 (1998).
16. B. K. Rao, S. N. Khanna, and P. Jena, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.62.4666 62, 4666 (2000).
17. S. N. Khanna, B. K. Rao, and P. Jena, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.125105 65, 125105 (2002).
18. C. Ashman, S. N. Khanna, and M. R. Pederson, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.193408 66, 193408 (2002).
19. O. C. Thomas, W. Zheng, and K. H. Bowen, Jr., J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1349547 114, 5514 (2001).
20. S. N. Khanna, C. Ashman, B. K. Rao, and P. Jena, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1367381 114, 9792 (2001).
21. R. R. Zope and T. Baruah, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.64.053202 64, 053202 (2001).
22. H. Kawamura, V. Kumar, Q. Sun, and Y. Kawazoe, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.045406 65, 045406 (2001).
23. S. N. Khanna and P. Jena, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(93)E1490-8 218, 383 (1994).
24. F. Duque, L. M. Molina, M. J. López, A. Mañanes, and J. A. Alonso, Eur. Phys. J. D EPJDF6 1434-6060 10.1007/s100530170111 16, 285 (2001).
25. H. Kawamura, V. Kumar, Q. Sun, and Y. Kawazoe, Mater. Trans., JIM MTJIEY 0916-1821 42, 2175 (2001).
26. A. Mañanes, F. Duque, F. Méndez, M. J. López, and J. A. Alonso, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1597673 119, 5128 (2003).
27. Y.-K. Han, J. Jung, and K. H. Kim, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1871932 122, 124319 (2005).
28. Y.-K. Han and J. Jung, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1803538 121, 8500 (2004).
29. S. Burkart, N. Blessing, B. Klipp, J. Müller, G. Ganteför, and G. Seifert, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(98)01428-6 301, 546 (1999).
30. D. E. Bergeron, A. W. Castleman, Jr., T. Morisato, and S. N. Khanna, Science SCIEAS 0036-8075 10.1126/science.1093902 304, 84 (2004).
31. D. E. Bergeron, A. W. Castleman, Jr., T. Morisato, and S. N. Khanna, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1806416 121, 10456 (2004).
32. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
33. D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464303 98, 1358 (1993).
34. K. A. Peterson, D. Figgen, E. Goll, H. Stoll, and M. Dolg, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1622924 119, 11113 (2003).
35. A. E. Reed, R. B. Weinstock, and F. Weinhold, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.449486 83, 735 (1985).
36. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, and J. A. Pople, GAUSSIAN 03, Revision B.03 (Gaussian, Inc., Pittsburgh, PA, 2003).
37. Q. Sun, Q. Wang, J. Z. Yu, T. M. Briere, and Y. Kawazoe, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.64.053203 64, 053203 (2001).
38. O. Dolgounitcheva, V. G. Zakrzewski, and J. V. Ortiz, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.480440 111, 10762 (1999).
39. K. P. Huber and G. Herzberg, Molecular Spectra and Molecular Structure IV. Constants of Diatomic Molecules (Van Nostrand Reinhold, New York, 1979).
40. R. G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules (Oxford University Press, Oxford, 1989).
41. F. D. Profit and P. Geerlings, Chem. Rev. (Washington, D.C.) CHREAY 0009-2665 10.1021/cr9903205 101, 1451 (2001).
42. A. D. Becke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464913 98, 5648 (1993).
43. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.37.785 37, 785 (1988).