Skip to main content

Advertisement

SpringerLink
Log in

Stuffed fullerene structures for medium-sized silicon clusters

  • Electronic and Structural Properties
  • Published:
The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics Aims and scope Submit manuscript

Abstract.

The structural properties of medium-sized silicon clusters (Si40, Si45 and Si50) have been studied using an unbiased global genetic algorithm search incorporated with a tight-binding model, followed by gradient-corrected density functional calculations. Stuffed fullerene cages are obtained as energetically favorite structures. The stuffing/cage ratio (m/n for Sim@Sin) can be understood by a space filling picture. The present results, along with our recent works on SiN (N=27-39) clusters [20], suggest that stuffed fullerene cages are the preferred structural growth pattern of medium-sized silicon clusters.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  • M.F. Jarrold, V.A. Constant, Phys. Rev. Lett. 67, 2994 (1991); R.R. Hudgins, M. Imai, M.F. Jarrold, P. Dugourd, J. Chem. Phys. 111, 7865 (1999)

    Google Scholar 

  • M.F. Jarrold, E.C. Honea, J. Phys. Chem. 95, 9181 (1991)

    Google Scholar 

  • T. Bachels, R. Schafer, Chem. Phys. Lett. 324, 365 (2000)

    Google Scholar 

  • K. Fuke, K. Tsukamoto, F. Misaizu, M. Sanekata, J. Chem. Phys. 99, 7807 (1993)

    Google Scholar 

  • M.A. Hoffmann, G. Wrigge, B. von issendorff, J. Muller, G. Gantefor, H. Haberland, Eur. Phys. J. D 16, 9 (2001)

    Google Scholar 

  • U. Ray, M.F. Jarrold, J. Chem. Phys. 94, 2631 (1991); M.F. Jarrold, Y. Ijiri, U. Ray, J. Chem. Phys. 94, 3607 (1991)

    Google Scholar 

  • K.M. Ho, A.A. Shvartsburg, B. Pan, Z.Y. Lu, C.Z. Wang, J.G. Wacker, J.L. Fye, M.E. Jarrold, Nature 392, 582 (1998)

    Google Scholar 

  • S. Yoo, X.C. Zeng, X. Zhu, J. Bai, J. Am. Chem. Soc. 125, 13318 (2003)

    Google Scholar 

  • K.A. Jackson, M. Horoi, I. Chaudhuri, T. Frauenheim, A.A. Shvartsburg, Phys. Rev. Lett. 93, 013401 (2004)

    Google Scholar 

  • E. Kaxiras, Phys. Rev. Lett. 64, 551 (1990); E. Kaxiras, K. Jackson, Phys. Rev. Lett. 71, 727 (1993)

    Google Scholar 

  • D.A. Jelski, B.L. Swift, T.T. Rantala, X.F. Xia, T.F. George, J. Chem. Phys. 95, 8552 (1991)

    Google Scholar 

  • J. Pan, M.V. Ramakrishna, Phys. Rev. B 50, 15431 (1994); M.V. Ramakrishna, J. Pan, J. Chem. Phys. 101, 8108 (1994)

    Google Scholar 

  • M. Menon, K.R. Subbaswamy, Phys. Rev. B 51, 17952 (1995)

    Google Scholar 

  • Q. Sun, Q. Wang, P. Jena, S. Waterman, Y. Kawazoe, Phys. Rev. A 67, 063201 (2003)

    Google Scholar 

  • F.S. Khan, J.Q. Broughton, Phys. Rev. B 43, 11754 (1991)

    Google Scholar 

  • J. Song, S.E. Ulloa, D.A. Drabold, Phys. Rev. B53, 8042 (1996)

    Google Scholar 

  • B.X. Li, P.L. Cao, J. Phys.: Condens. Matter 13, 10865 (2001)

    Google Scholar 

  • Z.F. Chen, H.J. Jiao, G. Seifert, A.H.C. Horn, D.K. Yu, T. Clark, W. Thiel, P.V.R. Schleyer, J. Comput. Chem. 24, 948 (2003)

    Google Scholar 

  • Q. Sun, Q. Wang, P. Jena, B.K. Rao, Y. Kawazoe, Phys. Rev. Lett. 90, 135503 (2003)

    Google Scholar 

  • S. Yoo, J.J. Zhao, J.L. Wang, X.C. Zeng, J. Am. Chem. Soc. 126, 13845 (2004)

    Google Scholar 

  • D.M. Deaven, K.M. Ho, Phys. Rev. Lett. 75, 288 (1995)

    Google Scholar 

  • J.J. Zhao, R.H. Xie, J. Comput. Theor. Nanosci. 1, 117 (2004)

    Google Scholar 

  • M. Menon, K.R. Subbaswamy, Phys. Rev. B 50, 11577 (1994)

    Google Scholar 

  • R.H. Byrd, P.H. Lu, J. Nocedal, C.Y. Zhu, SIAM J. Sci. Comput. 16, 1190 (1995)

    Google Scholar 

  • DMol3 is a density functional theory (DFT) package based atomic basis distributed by Accelrys Inc. (San Diego, CA); B. Delley, J. Chem. Phys. 92, 508 (1990)

    Google Scholar 

  • J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Department of Physics and Astronomy, University of North Carolina, Chapel Hill, NC, 27599, USA

    J. Zhao

  2. Chemistry Division, Argonne National Laboratory, Argonne, IL, 60439, USA

    J. Wang & J. Jellinek

  3. Department of Chemistry and Center for Materials Research & Analysis, University of Nebraska, Lincoln, NE, 68588, USA

    S. Yoo & X. C. Zeng

Authors
  1. J. Zhao
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. J. Wang
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. J. Jellinek
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. S. Yoo
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. X. C. Zeng
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to X. C. Zeng.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Zhao, J., Wang, J., Jellinek, J. et al. Stuffed fullerene structures for medium-sized silicon clusters. Eur. Phys. J. D 34, 35–37 (2005). https://doi.org/10.1140/epjd/e2005-00113-x

Download citation

  • Received:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1140/epjd/e2005-00113-x

Keywords

Search

Navigation