Atom-fullerene-hybrid photoionization mediated by coupled d states in Zn@C 60

Jaykob N. Maser, Mohammad H. Javani, Ruma De, Mohamed Madjet, Himadri S. Chakraborty, Steven T. Manson

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

Strong hybridization, resulting in symmetric and antisymmetric mixing of the Zn 3d state and the C 60 4d state of π symmetry, is found in the jellium-based local density approximation (LDA) structure of the Zn@C 60 ground state. Using the time-dependent LDA method to include electron correlations, the photoionization of these d-d hybrid states are computed. Ionization cross sections of these states exhibit effects of plasmon resonances coupled with the diffraction-type oscillations induced by localized emissions of C 60 electrons. We detect significant interference effects in the hybrid ionization from the atom-fullerene coherent mixing.

Original languageEnglish
Article number053201
JournalPhysical Review A - Atomic, Molecular, and Optical Physics
Volume86
Issue number5
DOIs
Publication statusPublished - 5 Nov 2012
Externally publishedYes

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fullerenes
photoionization
ionization cross sections
approximation
atoms
electrons
interference
ionization
oscillations
ground state
symmetry
diffraction

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Atom-fullerene-hybrid photoionization mediated by coupled d states in Zn@C 60 . / Maser, Jaykob N.; Javani, Mohammad H.; De, Ruma; Madjet, Mohamed; Chakraborty, Himadri S.; Manson, Steven T.

In: Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 86, No. 5, 053201, 05.11.2012.

Research output: Contribution to journalArticle

Maser, Jaykob N. ; Javani, Mohammad H. ; De, Ruma ; Madjet, Mohamed ; Chakraborty, Himadri S. ; Manson, Steven T. / Atom-fullerene-hybrid photoionization mediated by coupled d states in Zn@C 60 In: Physical Review A - Atomic, Molecular, and Optical Physics. 2012 ; Vol. 86, No. 5.
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