Density-functional study of magnetism in bare Au nanoclusters: Evidence of permanent size-dependent spin polarization without geometry relaxation

Physical Review B - Condensed Matter and Materials Physics

Volumn 75, Issue 14, 2007, Pages

  Magyar, R J ^a,b   Mujica, V ^a,c,d   Marquez, M ^b,e,f   Gonzalez, C ^b  

^a Interdisciplinary Network of Emerging Science and Technologies   (United States)

^b NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

^c ARGONNE NATIONAL LABORATORY   (United States)

^d NORTHWESTERN UNIVERSITY   (United States)

^e Research Center   (United States)

^f Arizona State University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 34247323926     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.75.144421     Document Type: Article

References (30)

1. O. V. Salata, J. Nanobiotechnol. 2, 3 (2004).
2. M. Daniel and M. Astruc, Chem. Rev. (Washington, D.C.) CHREAY 0009-2665 10.1021/cr030698+ 104, 293 (2004).
3. S. D. Bader, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.78.1 78, 1 (2006).
4. P. Zhang and T. K. Sham, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.90.245502 90, 245502 (2003).
5. P. Crespo, R. Litran, T. C. Rojas, M. Multigner, J. M. de la Fuenta, J. C. Sanchez-Lopez, M. A. Garcia, A. Hernando, S. Penades, and A. Fernandez, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.087204 93, 087204 (2004).
6. Y. Yamamoto, T. Miura, M. Suzuki, N. Kawamura, H. Miyagawa, T. Nakamura, K. Kobayashi, T. Teranishi, and H. Hori, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.116801 93, 116801 (2004).
7. H. Hori, Y. Yamamoto, T. Iwamoto, T. Miura, T. Teranishi, and M. Miyake, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.174411 69, 174411 (2004).
8. Y. Yamamoto and H. Hori, Rev. Adv. Mater. Sci. RAMSCX 1606-5131 12, 23 (2006).
9. R. Arratia-Perez, A. F. Ramos, and G. L. Malli, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.39.3005 39, 3005 (1989).
10. L. L. Are and F. Ichel-Calendini, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/(SICI)1097-461X(1997)61:4<635::AID-QUA4>3.0.CO;2-X 61, 635 (1997).
11. H. Hakkinen, B. Yoon, U. Landman, X. Li, H. Zhai, and L. Wang, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp035437i 107, 6168 (2003).
12. H. Hakkinen and U. Landman, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.62.R2287 62, R2287 (2000).
13. J. Wang, G. Wang, and J. Zhao, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.035418 66, 035418 (2002).
14. C. L. Cleveland, U. Landman, T. G. Schaaff, M. N. Shafigullin, P. W. Stephens, and R. L. Whetten, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.79.1873 79, 1873 (1997).
15. C. L. Cleveland, U. Landman, M. N. Shafigullin, P. W. Stephens, and R. L. Whetten, Z. Phys. D: At., Mol. Clusters ZDACE2 0178-7683 10.1007/s004600050263 40, 503 (1997).
16. I. L. Garzon, K. Michaelian, M. Beltran, A. Amarillas, P. Ordejon, and E. Artacho, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.81.1600 81, 1600 (1998).
17. K. Michaelian, N. Rendon, and I. L. Garzon, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.60.2000 60, 2000 (1999).
18. E. M. Fernandez, J. M. Soler, I. L. Garzon, and L. C. Balbas, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.165403 70, 165403 (2004).
19. H. Hakkinen, M. Moseler, O. Kostko, N. Morgner, M. Hoffman, and B. Issendorff, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.093401 93, 093401 (2004).
20. H. Hakkinen, R. N. Barnett, and U. Landman, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.82.3264 82, 3264 (1999).
21. 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, V. Bakken, 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 C.02, Gaussian, Inc., Wallingford, CT, 2004.
22. F. Sue Legge, Graeme L. Nyberg, and J. Barrie Peel, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp0101918 105, 7905-7916 (2001).
23. D. Figgen, G. Rauhut, M. Dog, and H. Stoll, Chem. Phys. CMPHC2 0301-0104 10.1016/j.chemphys.2004.10.005 311, 227 (2005).
24. K. A. Peterson and C. Puzzarini, Theor. Chem. Acc. TCACFW 1432-881X 10.1007/s00214-005-0681-9 114, 283 (2005).
25. C. Gonzalez, Y. Simon-Manso, M. Marquez, and V. Mujica, J. Phys. Chem. B JPCBFK 1089-5647 110, 687 (2006).
26. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996);
27. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.78.1396 78, 1396 (1997).
28. A. D. Becke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464304 98, 1372 (1993).
29. D. Zanchet, H. Tolentino, M. C. Martins Alves, O. L. Alves, and D. Ugarte, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(00)00424-3 323, 167 (2000).
30. P. Schwerdtfeger, J. R. Brown, J. K. Laerdahl, and H. Stoll, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1313556 113, 7110 (2000).