Photoabsorption spectrum of the Xe@C60 endohedral fullerene
Department of Physics and CTSPS, Clark Atlanta
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Received in final form: 29 February 2012
Published online: 20 July 2012
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.
Key words: Topical issue: Atomic Cluster Collisions. Guest editors: Andrey V. Solov’yov and Andrey V. Korol
© EDP Sciences, Società Italiana di Fisica and Springer-Verlag 2012