Advertisement

The European Physical Journal D

, Volume 52, Issue 1–3, pp 39–42 | Cite as

Structural, energetic, and electronic properties of Sin, Gen, and SinGen clusters

  • H. ur Rehman
  • M. Springborg
  • Y. Dong
Structure and Thermodynamics of Free Clusters

Abstract

Results of a theoretical study of the properties of Sin, Gen, and SinGen clusters are presented. An approximate density-functional method in combination with genetic algorithms have been used in an unbiased determination of the structures of the lowest total energy. The resulting structural, energetic, and electronic properties are analysed and compared with each other for the different systems.

PACS

36.40.Cg Electronic and magnetic properties of clusters 36.40.Qv Stability and fragmentation of clusters 61.46.Bc Structure of clusters 

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. A.Md. Asaduzzaman, M. Springborg, Phys. Rev. B 74, 165406 (2006)Google Scholar
  2. A.Md. Asaduzzaman, M. Springborg, Eur. Phys. J. D 43, 213 (2007)Google Scholar
  3. R. Ferrando, A. Fortunelli, R.L. Johnston, Phys. Chem. Chem. Phys. 10, 640 (2008)Google Scholar
  4. R. Ferrando, J. Jellinek, R.L. Johnston, Chem. Rev. 108, 845 (2008)Google Scholar
  5. F. Baletto, R. Ferrando, Rev. Mod. Phys. 77, 371 (2005)Google Scholar
  6. J. Wang, G. Wang, J. Zhao, Phys. Rev. B 64, 205411 (2001)Google Scholar
  7. K.A. Jackson, M. Horoi, I. Chaudhuri, T. Frauenheim, A.A. Shvartsburg, Phys. Rev. Lett. 93, 013401 (2004)Google Scholar
  8. V.E. Bazterra, O. Oña, M.C. Caputo, M.B. Ferraro, P. Fuentealba, J.C. Facelli, Phys. Rev. A 69, 053202 (2004)Google Scholar
  9. S. Yoo, X.C. Zeng, J. Chem. Phys. 124, 054304 (2006)Google Scholar
  10. S. Yoo, N. Shao, C. Koehler, T. Frauenheim, X.C. Zeng, J. Chem. Phys. 124, 164311 (2006)Google Scholar
  11. O. Oña, V.E. Bazterra, M.C. Caputo, J.C. Facelli, P. Fuentealba, M.B. Ferraro, Phys. Rev. A 73, 053203 (2006)Google Scholar
  12. L. Ma, J. Zhao, J. Wang, B. Wang, G. Wang, Phys. Rev. A 73, 063203 (2006)Google Scholar
  13. L.-Z. Zhao, W.-C. Lu, W. Qin, C.Z. Wang, K.M. Ho, J. Phys. Chem. A 112, 5815 (2008)Google Scholar
  14. J. Jellinek, E.B. Krissinel, Chem. Phys. Lett. 258, 283 (1996)Google Scholar
  15. L.D. Lloyd, R.L. Johnston, S. Salhi, N.T. Wilson, J. Mater. Chem. 14, 1691 (2004)Google Scholar
  16. D. Bing, Q.C. Nguyen, X.-F. Fan, J.-L. Kuo, J. Phys. Chem. A 112, 2235 (2008)Google Scholar
  17. P. Wielgus, S. Roszak, D. Majumdar, J. Saloni, J. Leszczynski, J. Chem. Phys. 128, 144305 (2008)Google Scholar
  18. D. Porezag, Th. Frauenheim, Th. Köhler, G. Seifert, R. Kaschner, Phys. Rev. B 51, 12947 (1995)Google Scholar
  19. G. Seifert, R. Schmidt, New J. Chem. 16, 1145 (1992)Google Scholar
  20. G. Seifert, D. Porezag, Th. Frauenheim, Int. J. Quant. Chem. 58, 185 (1996)Google Scholar
  21. J.H. Holland, Adaption in Natural Algorithms and Artifical systems (University of Michigan Press, Ann Arbor, USA, 1975)Google Scholar
  22. D.E. Goldberg, Genetic Algorithms in Search, Optimization and Machine Learning (Addison-Wesley, Reading, USA, 1989)Google Scholar
  23. A.N. Andriotis, M. Menon, G.E. Froudakis, J. Clust. Sci. 10, 549 (1999)Google Scholar

Copyright information

© EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2009

Authors and Affiliations

  1. 1.Physical and Theoretical Chemistry, University of SaarlandSaarbrückenGermany

Personalised recommendations