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Photoionization of C60: a model study

Mohamed E Madjet1, Himadri S Chakraborty2, Jan M Rost3 and Steven T Manson4

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Time-dependent density functional theory is used to calculate the total and subshell photoionization cross sections of C60. The core of 60 C4+ ions is smeared into a classical jellium shell before treating the correlated motion of the 240 valence electrons quantum mechanically. The calculation reveals two collective plasmon resonances in the total cross section in agreement with the experiment. It is found that a phase-coherent superposition of amplitudes leading to enhancements in the ionization from various C60 subshells in two distinct energy regions essentially builds the plasmons. While the result shows good qualitative agreement with the experiments, the limitation of the model to describe the data in quantitative detail is discussed.


PACS

33.80.Eh Autoionization, photoionization, and photodetachment

31.15.E- Density-functional theory

36.40.Gk Plasma and collective effects in clusters

Subjects

Atomic and molecular physics

Computational physics

Dates

Issue 10 (28 May 2008)

Received 2 March 2008, in final form 3 March 2008

Published 6 May 2008



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