Structure and bonding of Au5 M (M=Na, Mg, Al, Si, P, and S) clusters

Physical Review B - Condensed Matter and Materials Physics

Volumn 74, Issue 20, 2006, Pages

  Majumder, Chiranjib ^a   Kandalam, Anil K ^b   Jena, Puru ^b  

^a BHABHA ATOMIC RESEARCH CENTRE   (India)

^b VIRGINIA COMMONWEALTH UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33845242753     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.74.205437     Document Type: Article

References (42)

1. W. A. de Heer, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.65.611 65, 611 (1993);
2. M. Brack, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.65.677 65, 677 (1993).
3. H. Haberland, Clusters of Atoms and Molecules: Theory, Experiment (Springer-Verlag, New York, 1994).
4. 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).
5. H. Hakkinen and U. Landman, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.62.R2287 62, R2287 (2000).
6. S. Gilb, P. Weis, F. Furche, R. Ahlrichs, and M. M. Kappes, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1445121 116, 4094 (2002);
7. F. Furhe, R. Ahlrichs, P. Weis, C. Jacob, S. Gilb, T. Bierweiler, and M. M. Kappes, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1507582 117, 6982 (2002).
8. H. Hakkinen, M. Moseler, and U. Landman, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.89.033401 89, 033401 (2002).
9. V. Bonacic-Koutecky, J. Burda, R. Mitric, M. Ge, G. Zampella, and P. Fantucci, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1492800 117, 3120 (2002).
10. H. Myoung, M. Ge, B. R. Sahu, P. Tarakeswar, and K. S. Kim, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp034826+ 107, 9994 (2003).
11. E. M. Fernández, J. M. Soler, I. L. Garzón', and C. Balbás, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.165403 70, 165403 (2004).
12. P. Pyykko, Angew. Chem., Int. Ed. ACIEF5 1433-7851 10.1002/anie.200300624 43, 4412 (2004), and references therein.
13. P. Pyykkö and N. Runeberg, Angew. Chem., Int. Ed. ACIEF5 1433-7851 10.1002/1521-3773(20020617)41:12<2174::AID-ANIE2174>3.0.CO;2-8 41, 2174 (2002).
14. X. Li, B. Kiran, J. Li, H. J. Zhai, and L. S. Wang, Angew. Chem., Int. Ed. ACIEF5 1433-7851 10.1002/anie.200290048 41, 4786 (2002).
15. K. Koszinowski, D. Schröder, and H. Schwarz, ChemPhysChem CPCHFT 1439-4235 10.1002/cphc.200300840 4, 1233 (2003).
16. H. Häkkinen, S. Abbet, A. Sanchez, U. Heiz, and U. Landman, Angew. Chem., Int. Ed. ACIEF5 1433-7851 10.1002/anie.200390334 42, 1297 (2003).
17. W. Bouwen, F. Vanhoutte, F. Despa, S. Bouckaert, S. Neukermans, L. T. Kuhn, H. Weidele, P. Lievens, and R. E. Silverans, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(99)01150-1 314, 227 (1999).
18. E. Janssens, H. Tanaka, S. Neukermans, R. E. Silverans, and P. Lievens, New J. Phys. NJOPFM 1367-2630 10.1088/1367-2630/5/1/346 5, 46 (2003).
19. E. Janssens, H. Tanaka, S. Neukermans, R. E. Silverans, and P. Lievens, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.085402 69, 085402 (2004).
20. H. Tanaka, S. Neukermans, E. Janssens, R. E. Silverans, and P. Lievens, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja029157c 125, 2862 (2003).
21. L. Gagliardi, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja035385a 125, 7504 (2003).
22. M. Heinebrodt, N. Malinowski, F. Tast, W. Branz, I. M. L. Billas, and T. P. Martin, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.478865 110, 9915 (1999).
23. D. W. Yuan, Yang Wang, and Zhi Zeng, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1862239 122, 114310 (2005).
24. B. R. Sahu, G. Maofa, and L. Kleinman, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.115420 67, 115420 (2003).
25. H. Tanaka, S. Neukermans, E. Janssens, R. E. Silverans, and P. Lievensa, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1606431 119, 7115 (2003).
26. K. Koyasu, M. Mitsui, A. Nakajima, and K. Kaya, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(02)00562-6 358, 224 (2002).
27. M. B. Torres, E. M. Fernández, and L. C. Balbás, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.155412 71, 155412 (2005).
28. H.-J. Zhai, J. Li, and L.-S. Wang, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1799574 121, 8369 (2004).
29. Kiran Boggavarapu, Xi Li, Hua-Jin Zhai, Li-Feng Cui, and Lai-Sheng Wang, Angew. Chem., Int. Ed. ACIEF5 1433-7851 10.1002/anie.200353602 43, 2125 (2004).
30. Xi Li, Boggavarapu Kiran, Li-Feng Cui, and Lai-sheng Wang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.95.253401 95, 253401 (2005).
31. C. Majumder and S. K. Kulshreshtha, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.155427 73, 155427 (2006).
32. Vienna ab initio simulation package, Technische Universitat Wien, 1999;
33. G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.558 47, 558 (1993);
34. G. Kresse and J. Furthmuller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996).
35. P. E. Blochl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.17953 50, 17953 (1994);
36. G. Kresse and J. Joubert, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.1758 59, 1758 (1999).
37. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.46. 6671 46, 6671 (1992).
38. Gaussian 03, Revision C.02, 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, Inc., Wallingford CT, 2004.
39. M. Dolg, U. Wedig, H. Stoll, and H. Preuss, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.452288 86, 866 (1987);
40. P. Schwerdtfeger, M. Dolg, W. H. E. Schwarz, G. A. Bowmaker, and P. D. W. Boyd, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.457082 91, 1762 (1989).
41. A. V. Walker, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1857478 122, 094310 (2005).
42. Q. Sun, Q. Wang, P. Jena, B. V. Reddy, C. Gonzalez, and M. Marquez (unpublished).