Table of Contents Author Guidelines Submit a Manuscript
The Scientific World Journal
Volume 2013, Article ID 468327, 9 pages
http://dx.doi.org/10.1155/2013/468327
Research Article

First-Principles Study on Stability and Magnetism of ( , ) Clusters

Department of Physics, Hangzhou Normal University, Hangzhou, Zhejiang 310036, China

Received 23 March 2013; Accepted 27 April 2013

Academic Editors: A. Hermann, A. Ovchinnikov, and A. Savchuk

Copyright © 2013 Xiao Zhang et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Linked References

  1. M. Y. Chou and M. L. Cohen, “Electronic shell structure in simple metal clusters,” Physics Letters A, vol. 113, no. 8, pp. 420–424, 1986. View at Publisher · View at Google Scholar
  2. W. D. Knight, K. Clemenger, W. A. De Heer, W. A. Saunders, M. Y. Chou, and M. L. Cohen, “Electronic shell structure and abundances of sodium clusters,” Physical Review Letters, vol. 52, no. 24, pp. 2141–2143, 1984. View at Publisher · View at Google Scholar · View at Scopus
  3. D. E. Bergeron, P. J. Roach, A. W. Castleman, N. O. Jones, and S. N. Khanna, “Al cluster superatoms as halogens in polyhalides and as alkaline earths in iodide salts,” Science, vol. 307, no. 5707, pp. 231–235, 2005. View at Publisher · View at Google Scholar · View at Scopus
  4. D. E. Bergeron, A. W. Castleman, T. Morisato, and S. N. Khanna, “Formation of Al13l: evidence for the superhalogen character of Al13,” Science, vol. 304, no. 5667, pp. 84–87, 2004. View at Publisher · View at Google Scholar · View at Scopus
  5. R. Fournier, “Trends in energies and geometric structures of neutral and charged aluminum clusters,” Journal of Chemical Theory and Computation, vol. 3, no. 3, pp. 921–929, 2007. View at Publisher · View at Google Scholar · View at Scopus
  6. X. J. Ren and B. X. Li, “First-principles study on stability and magnetism of AlnZn (n=19 ) clusters,” Physica B, vol. 405, no. 9, pp. 2344–2349, 2010. View at Publisher · View at Google Scholar · View at Scopus
  7. W. F. Ding and B. X. Li, “A first-principles study of AlnSim-n clusters (m=6, 9, 10; nm),” Journal of Molecular Structure, vol. 897, no. 1-3, pp. 129–138, 2009. View at Publisher · View at Google Scholar · View at Scopus
  8. X. Li and L. S. Wang, “Experimental search and characterization of icosahedral clusters: Al12X- (X = C, Ge, Sn, Pb),” Physical Review B, vol. 65, no. 15, Article ID 153404, 2002. View at Publisher · View at Google Scholar
  9. J. Q. Wen, Z. Y. Jiang, J. Q. Li, L. K. Cao, and S. Y. Chu, “Geometrical structures, electronic states, and stability of NinAl clusters,” International Journal of Quantum Chemistry, vol. 110, no. 7, pp. 1368–1375, 2010. View at Publisher · View at Google Scholar
  10. M. D. Deshpande, R. Pandey, M. A. Blanco, and A. Khalkar, “Magnetic properties of Ni13nAln clusters with n=013,” Journal of Nanoparticle Research, vol. 12, no. 4, pp. 1129–1136, 2010. View at Publisher · View at Google Scholar · View at Scopus
  11. M. Calleja, C. Rey, M. M. G. Alemany et al., “Self-consistent density-functional calculations of the geometries, electronic structures, and magnetic moments of Ni-Al clusters,” Physical Review B, vol. 60, no. 3, pp. 2020–2024, 1999. View at Publisher · View at Google Scholar
  12. H. Q. Sun, Y. J. Bai, H. Y. Cheng, N. Xu, B. L. Wang, and G. H. Wang, “Growth behavior and electronic properties of NiAln (n=114) clusters,” Journal of Molecular Structure, vol. 1031, pp. 22–29, 2013. View at Publisher · View at Google Scholar
  13. R. Ferrando, J. Jellinek, and R. L. Johnston, “Nanoalloys: from theory to applications of alloy clusters and nanoparticles,” Chemical Reviews, vol. 108, no. 3, pp. 845–910, 2008. View at Publisher · View at Google Scholar
  14. M. S. Bailey, N. T. Wilson, C. Roberts, and R. L. Johnston, “Structures, stabilities and ordering in Ni-Al nanoalloy clusters,” The European Physical Journal, vol. 25, pp. 41–55, 2003. View at Publisher · View at Google Scholar
  15. A. D. Becke, “Density-functional exchange-energy approximation with correct asymptotic behavior,” Physical Review A, vol. 38, no. 6, pp. 3098–3100, 1988. View at Publisher · View at Google Scholar
  16. J. P. Perdew, “Density-functional approximation for the correlation energy of the inhomogeneous electron gas,” Physical Review B, vol. 33, no. 12, pp. 8822–8824, 1986. View at Publisher · View at Google Scholar · View at Scopus
  17. ADF2007. 01, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands, 2007, http://www.scm.com.
  18. G. D. Geske, A. I. Boldyrev, X. Li, and L. S. Wang, “On the origin of planarity in Al5 and Al5 clusters: the importance of a four-center peripheral bond,” The Journal of Chemical Physics, vol. 113, no. 13, pp. 5130–5133, 2000. View at Publisher · View at Google Scholar · View at Scopus
  19. B. K. Rao and P. Jena, “Evolution of the electronic structure and properties of neutral and charged aluminum clusters: a comprehensive analysis,” The Journal of Physical Chemistry, vol. 111, no. 5, p. 1890, 1999. View at Publisher · View at Google Scholar
  20. F. C. Chuang, C. Z. Wang, and K. H. Ho, “Structure of neutral aluminum clusters Aln (2n23): genetic algorithm tight-binding calculations,” Physical Review B, vol. 73, no. 12, Article ID 125431, 2006. View at Publisher · View at Google Scholar
  21. X. Li, H. B. Wu, X. B. Wang, and L. S. Wang, “s-p hybridization and electron shell structures in aluminum clusters: a photoelectron spectroscopy study,” Physical Review Letters, vol. 81, no. 9, pp. 1909–1912, 1998. View at Publisher · View at Google Scholar