Photoionization of bonding and antibonding-type atom-fullerene hybrid states in Cd@C60 vs Zn@C60

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

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Powerful hybridization of the Cd 4d state with the d-angular momentum state of π symmetry is found in the local density approximation (LDA) structure of Cd@C60 ground state. The photoionization of the resulting symmetric and antisymmetric levels are computed using the time dependent LDA method to include electron correlations. Cross sections exhibit effects of the plasmonic motion coherently coupled to the diffraction-type cavity oscillations induced by local emissions from . The Cd@C60 results exhibit a substantial difference from our previous results for Zn@C60.

Original languageEnglish
Article number175102
JournalJournal of Physics B: Atomic, Molecular and Optical Physics
Issue number17
Publication statusPublished - 14 Sep 2014



  • endofullerene
  • hybridization
  • photoionization

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Atomic and Molecular Physics, and Optics

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