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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 40: POSTERS Electronic and Optical Properties
CPP 40.8: Poster
Donnerstag, 26. März 2009, 17:00–19:30, P3
Dynamical screening of an endohedral atom — •Stephanie Lo1, Andrei Korol1,2, and Andrey Solov’yov1 — 1FIAS, JW Goethe University, Frankfurt am Main, Germany — 2Department of Physics, St. Petersburg State Maritime Technical University, St. Petersburg, Russia
The present work is a generalisation of the dynamical screening factor presented in [1] to consider an atom located at an arbitrary position within the fullerene. A more elaborated investigation into the case where the atom is located at the centre is performed and compared with quantum mechanical calculations for dynamical screening factor of Ar@C60 [2] and Mg@C60 [3]. The π and σ plasmons of the fullerene are accounted for in a modified screening factor to improve correspondence with the quantum calculations. The spatial dependence of the screening factor was explored with Ar@C60 and Ar@C240 and found to depend significantly on the radial distance of the atom from the centre of the fullerene. A spatial averaging of the screening factor is presented. The dynamical screening of an endohedral molecule is also being considered.
References
[1] Lo S, Korol A V and Solov’yov A V 2007 J. Phys. B: At. Mol. Opt. Phys. 40 3973–81
[2] Madjet M E, Chakraborty H S and Manson S T 2007 Phys. Rev. Lett. 99 243003
[3] Chakraborty H S, Madjet M E, Rost J-M and Manson S T 2008 Phys. Rev. A 78 013201