Photoabsorption spectrum of the Xe@C60 endohedral fullerene

Regular Article
Part of the following topical collections:
  1. Topical issue: Atomic Cluster Collisions

Abstract

Photoabsorption spectrum of the Xe@C60 endohedral fullerene has been studied using the time-dependent-density-functional-theory (TDDFT), which represents the dynamical polarizability of an interacting electron system by an off-diagonal matrix element of the resolvent of the Liouvillian superoperator and solves the problem with the Lanczos algorithm. The method has been tested with the photoabsorption spectra for the free Xe atom and C60 fullerene. The result of the Xe atom encapsulated inside C60 confirms the three main peaks observed in the recent measurement in the energy region of the Xe 4d giant resonance and indicates the possibility that the Auger decay of the Xe+ has been greatly suppressed if the ion is encapsulated inside C60. It is suggested to use the current theoretical result around 22 eV to check this possibility.

Keywords

Topical issue: Atomic Cluster Collisions. Guest editors: Andrey V. Solov’yov and Andrey V. Korol 

References

  1. 1.
    M.J. Puska, R.M. Nieminen, Phys. Rev. A 47, 1181 (1993)ADSCrossRefGoogle Scholar
  2. 2.
    M.J. Puska, R.M. Nieminen, Phys. Rev. A 49, 629 (1994)ADSCrossRefGoogle Scholar
  3. 3.
    M.Ya. Amusia, A.S. Baltenkov, U. Becker, Phys. Rev. A 62, 012701 (2000)ADSCrossRefGoogle Scholar
  4. 4.
    M.Ya. Amusia, A.S. Baltenkov, L.V. Chernysheva, Z. Felfli, A.Z. Msezane, J. Phys. B 38, L169 (2005)ADSCrossRefGoogle Scholar
  5. 5.
    M.Ya. Amusia, A.S. Baltenkov, L.V. Chernysheva, Phys. Rev. A 75, 043201 (2007)ADSCrossRefGoogle Scholar
  6. 6.
    M.Ya. Amusia, A.S. Baltenkov, L.V. Chernysheva, JETP Lett. 87, 200 (2008)ADSCrossRefGoogle Scholar
  7. 7.
    V.K. Dolmatov, S.A. Manson, J. Phys. B 41, 165001 (2008), and references thereinADSCrossRefGoogle Scholar
  8. 8.
    A.L.D. Kilcoyne et al., Phys. Rev. Lett. 105, 213001 (2010)ADSCrossRefGoogle Scholar
  9. 9.
    M.E. Madjet et al., Phys. Rev. A 81, 013202 (2010)ADSCrossRefGoogle Scholar
  10. 10.
    Zhifan Chen, A.Z. Msezane, J. Phys. B 42, 165206 (2009)ADSCrossRefGoogle Scholar
  11. 11.
    Zhifan Chen, R.A. Phaneuf, A.Z. Msezane, J. Phys. B 43, 215203 (2010)ADSCrossRefGoogle Scholar
  12. 12.
    Zhifan Chen, A.Z. Msezane, Can. J. Phys. 89, 1107 (2011)ADSCrossRefGoogle Scholar
  13. 13.
    Zhifan Chen, A.Z. Msezane, Eur. Phys. J. D 65, 353 (2011)ADSCrossRefGoogle Scholar
  14. 14.
    M.E. Casida, C. Jamorski, K.C. Casida, D.R. Salahub, J. Chem. Phys. 108, 4439 (1998)ADSCrossRefGoogle Scholar
  15. 15.
    B. Walker, A.M. Saitta, R. Gebauer, S. Baroni, Phys. Rev. Lett. 96, 113001 (2006)ADSCrossRefGoogle Scholar
  16. 16.
    D. Rocca, R. Gebauer, Y. Saad, S. Baroni, J. Chem. Phys. 128, 154105 (2008)ADSCrossRefGoogle Scholar
  17. 17.
    B. Walker, R. Gebauer, J. Chem. Phys. 127, 164106 (2007)ADSCrossRefGoogle Scholar
  18. 18.
    J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 78, 1396 (1997)ADSCrossRefGoogle Scholar
  19. 19.
    DMol3, Accelrys Software (Inc., San Diego, CA, 2010)Google Scholar
  20. 20.
    W.I.F. David et al., Nature 353, 147 (1991)ADSCrossRefGoogle Scholar
  21. 21.
    P. Giannozzi et al., J. Phys.: Condens. Matter 21, 395502 (2009)CrossRefGoogle Scholar
  22. 22.
    A.M. Rappe, K.M. Rabe, E. Kaxiras, J.D. Joannopoulos, Phys. Rev. B 41, 1227 (1990)ADSCrossRefGoogle Scholar
  23. 23.
    A.M. Rappe, K.M. Rabe, E. Kaxiras, J.D. Joannopoulos, Erratum Phys. Rev. B 44, 13175 (1991)ADSCrossRefGoogle Scholar
  24. 24.
    J. Berkowitz, J. Chem. Phys. 111, 1446 (1999)ADSCrossRefGoogle Scholar
  25. 25.
    A.L. Smith, J. Phys. B 29, 4975 (1996)ADSCrossRefGoogle Scholar
  26. 26.
    I.V. Hertel et al., Phys. Rev. Lett. 68, 784 (1992)ADSCrossRefGoogle Scholar
  27. 27.
    A. Tsolakidis, D. Sanchez-Portal, R.M. Martin, Phys. Rev. B 66, 235416 (2002)ADSCrossRefGoogle Scholar
  28. 28.
    G.F. Bertsch, A. Bulgac, D. Tomnek, Y. Wang, Phys. Rev. Lett. 67, 2690 (1991)ADSCrossRefGoogle Scholar
  29. 29.
    J. Kou, T. Mori, M. Ono, Y. Haruyama, Y. Kubozono, K. Mitsuke, Chem. Phys. Lett. 374, 1 (2003)ADSCrossRefGoogle Scholar
  30. 30.
    W.F. Chan, G. Cooper, X. Guo, G.R. Burton, C.E. Brion, Phys. Rev. A 46, 149 (1992)ADSCrossRefGoogle Scholar
  31. 31.
    D.M.P. Holland, K. Codling, J.B. West, G.V. Mart, J. Phys. B 12, 2465 (1979)ADSCrossRefGoogle Scholar
  32. 32.
    B. Kämmerling, H. Kossman, V. Schmidt, J. Phys. B 22, 841 (1989)ADSCrossRefGoogle Scholar
  33. 33.
    W.F. Chan, G. Cooper, C.E. Brion, Phys. Rev. A 44, 186 (1991)ADSCrossRefGoogle Scholar
  34. 34.
    U. Becker et al., Phys. Rev. A 39, 3902 (1989)ADSCrossRefGoogle Scholar
  35. 35.
    D.M.P. Holland, K. Codling, J.B. West, G.V. Marr, J. Phys. B 12, 2465 (1979)ADSCrossRefGoogle Scholar
  36. 36.
    Y. Itoh et al., J. Phys. B 34, 3493 (2001)ADSCrossRefGoogle Scholar

Copyright information

© EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2012

Authors and Affiliations

  1. 1.Department of Physics and CTSPSClark Atlanta UniversityAtlantaUSA

Personalised recommendations