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Photoionization of Fullerens and Atoms Confined in Fullerenes

Hadigheh Javani, Mohammad
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Abstract

The photoionization cross sections of small fullerenes (C28, C32, C40, C44, and C50), and the outer and near-outer shells of atoms (noble gases, alkaline earth) confined endohedrally inside a C60 molecule are calculated employing a time-dependent local density approximation formulation. Plasmon and confinement resonances are found to be a general feature of these cross sections, and dramatic interchannel coupling effects, significantly increasing the atomic cross sections, are exhibited in all cases in the vicinity of the C60 plasmons. Hybridization effects, the mixing of the atomic and cage bound state wave functions, are also found, but no systematics of the hybridization present themselves. Also, in the case of Ar@C60, Inter-atomic Columbic decay (ICD) has been found and studied.

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Date
2014-12-18
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Keywords
Photoionization, Noble gas, Fullerene, Endohedrally, TDLDA, ICD
Citation
Hadigheh Javani, Mohammad. "Photoionization of Fullerens and Atoms Confined in Fullerenes." 2014. Dissertation, Georgia State University. https://doi.org/10.57709/6426904
Embargo Lift Date
2014-12-05
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