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Valence photoionization of small alkaline earth atoms endohedrally confined in C60

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Abstract

A theoretical study of photoionization from the outermost orbitals of Be, Mg and Ca atoms endohedrally confined in C60 is reported. The fullerene ion core, comprised of sixty C4+, is smudged into a continuous jellium charge distribution, while the delocalized cloud of carbon valence electrons plus the encaged atom are treated in the time-dependent local density approximation (TDLDA). Systematic evolution of the mixing of outer atomic level with states of the C60 valence band is found along the sequence. This is found to influence the plasmonic enhancement of atomic photoionization at low energies and the geometry-revealing confinement oscillations at high energies in significantly different ways: (a) the extent of enhancement is mainly determined by the strength of atomic ionization, giving the strongest enhancement for Be even though Ca suffers the largest mixing. But (b) strongest collateral oscillations are uncovered for Ca, since, relative to Be and Mg, the mixing causes the highest photoelectron production at confining boundaries of Ca. The study paints the first comparative picture of the atomic valence photospectra for alkaline earth metallofullerenes in a dynamical many-electron framework.

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References

  1. L. Dunsch, S. Yang, Small 3, 1298 (2007)

    Article  Google Scholar 

  2. S.W.J. Scully, E.D. Emmons, M.F. Gharaibeh, R.A. Phaneuf, A.L.D. Kilcoyne, A.S. Schlachter, S. Schippers, A. Müller, H.S. Chakraborty, M.E. Madjet, J.M. Rost, Phys. Rev. Lett. 94, 065503 (2005)

    Article  ADS  Google Scholar 

  3. A. Müller, S. Schippers, M. Habibi, D. Esteves, J.C. Wang, R.A. Phaneuf, A.L.D. Kilcoyne, A. Aguilar, L. Dunsch, Phys. Rev. Lett. 101, 133001 (2008)

    Article  ADS  Google Scholar 

  4. A.L.D. Kilcoyne, A. Aguilar, A. Müller, S. Schippers, C. Cisneros, G. Alna’Washi, N.B. Aryal, K.K. Baral, D.A. Esteves, C.M. Thomas, R.A. Phaneuf, Phys. Rev. Lett. 105, 213001 (2010)

    Article  ADS  Google Scholar 

  5. V.K. Dolmatov, Advances in Quantum Chemistry, in Theory of Confined Quantum Systems, edited by J.R. Sabin, E. Brändas (Academic Press, New York, 2009), Vol. 58, p. 13

  6. M.E. Madjet, T. Renger, D.E. Hopper, M.A. McCune, H.S. Chakraborty, J.-M. Rost, S.T. Manson, Phys. Rev. A 81, 013202 (2010), and references therein

    Article  ADS  Google Scholar 

  7. A.N. Grum-Grzhimailo, E.V. Gryzlova, S.I. Strakhova, J. Phys. B 44, 235005 (2011)

    Article  ADS  Google Scholar 

  8. M.Ya. Amusia, L.V. Chernysheva, V.K. Dolmatov, Phys. Rev. A 84, 063201 (2011)

    Article  ADS  Google Scholar 

  9. W. Harneit, C. Boehme, S. Schaefer, K. Huebner, K. Fortiropoulos, K. Lips, Phys. Rev. Lett. 98, 216601 (2007)

    Article  ADS  Google Scholar 

  10. R.B. Ross, C.M. Cardona, D.M. Guldi, S.G. Sankaranarayanan, M.O. Reese, N. Kopidakis, J. Peet, B. Walker, G.C. Bazan, E.V. Keuren, B.C. Holloway, M. Drees, Nat. Mater. 8, 208 (2009)

    Article  ADS  Google Scholar 

  11. J.B. Melanko, M.E. Pearce, A.K. Salem, Nanotechnology in Drug Delivery, edited by M.M. de Villiers, P. Aramwit, G.S. Kwon (Springer, New York, 2009), p. 105

  12. S. Lo, A.V. Korol, A.V. Solov’yov, Phys. Rev. A 79, 063201 (2009)

    Article  ADS  Google Scholar 

  13. M. Ya. Amusia, A.S. Baltenkov, L.V. Chernycheva, J. Phys. B 41, 165201 (2008), and references therein

    Article  ADS  Google Scholar 

  14. V.K. Dolmatov, S.T. Manson, J. Phys. B 41, 165001 (2008), and references therein

    Article  ADS  Google Scholar 

  15. K. Govil, A.J. Siji, P.C. Deshmukh, J. Phys. B 42, 065004 (2009), and references therein

    Article  ADS  Google Scholar 

  16. M. Stener, G. Fronzoni, D. Toffoli, P. Colavita, S. Furlan, P. Decleva, J. Phys. B 35, 1421 (2002)

    Article  ADS  Google Scholar 

  17. M.E. Madjet, H.S. Chakraborty, J.M. Rost, S.T. Manson, J. Phys. B 41, 105101 (2008)

    Article  ADS  Google Scholar 

  18. A. Rüdel, R. Hentges, H.S. Chakraborty, M.E. Madjet, J.M. Rost, Phys. Rev. Lett. 89, 125503 (2002)

    Article  ADS  Google Scholar 

  19. A. Potter, M.A. McCune, R. De, M.E. Madjet, H.S. Chakraborty, Phys. Rev. A 82, 033201 (2010)

    Article  ADS  Google Scholar 

  20. A.B. Patel, H.S. Chakraborty, J. Phys. B Fast Track Commun. 44, 191001 (2011)

    ADS  Google Scholar 

  21. M.E. Madjet, H.S. Chakraborty, S.T. Manson, Phys. Rev. Lett. 99, 243003 (2007)

    Article  ADS  Google Scholar 

  22. H.S. Chakraborty, M.E. Madjet, J.M. Rost, S.T. Manson, Phys. Rev. A 78, 013201 (2008)

    Article  ADS  Google Scholar 

  23. H.S. Chakraborty, M.E. Madjet, T. Renger, J.-M. Rost, S.T. Manson, Phys. Rev. A 79, R061201 (2009)

    Article  ADS  Google Scholar 

  24. M.A. McCune, R. De, M.E. Madjet, H.S. Chakraborty, J. Phys. B Fast Track Commun. 43, 181001 (2010)

    ADS  Google Scholar 

  25. E. Broclawik, A. Eilmes, J. Chem. Phys. 108, 3498 (1998)

    Article  ADS  Google Scholar 

  26. M.J. Puska, R.M. Nieminen, Phys. Rev. A 47, 1181 (1993)

    Article  ADS  Google Scholar 

  27. M.J. Puska, R.M. Nieminen, Phys. Rev. A 49, 629 (1994)

    Article  ADS  Google Scholar 

  28. O. Gunnerson, B. Lundqvist, Phys. Rev. B 13, 4274 (1976)

    Article  ADS  Google Scholar 

  29. M.A. McCune, M.E. Madjet, H.S. Chakraborty, Phys. Rev. A 80, R011201 (2009)

    Article  ADS  Google Scholar 

Download references

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Correspondence to H. S. Chakraborty.

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Javani, M.H., McCreary, M.R., Patel, A.B. et al. Valence photoionization of small alkaline earth atoms endohedrally confined in C60 . Eur. Phys. J. D 66, 189 (2012). https://doi.org/10.1140/epjd/e2012-30081-9

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  • DOI: https://doi.org/10.1140/epjd/e2012-30081-9

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