Eur. Phys. J. D (2012) 66: 184
https://doi.org/10.1140/epjd/e2012-30030-8

Regular Article

Photoabsorption spectrum of the Xe@C₆₀ endohedral fullerene

Department of Physics and CTSPS, Clark Atlanta University, Atlanta, 30314 GA, USA

^a e-mail: zchen@cau.edu

Received: 12 January 2012
Received in final form: 29 February 2012
Published online: 20 July 2012

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.