Atom-fullerene-hybrid photoionization mediated by coupled d states in Zn@C60

Jaykob N. Maser, Mohammad H. Javani, Ruma De, Mohamed E. Madjet, Himadri S. Chakraborty, and Steven T. Manson
Phys. Rev. A 86, 053201 – Published 5 November 2012

Abstract

Strong hybridization, resulting in symmetric and antisymmetric mixing of the Zn 3d state and the C60 4d state of π symmetry, is found in the jellium-based local density approximation (LDA) structure of the Zn@C60 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 C60 electrons. We detect significant interference effects in the hybrid ionization from the atom-fullerene coherent mixing.

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  • Received 21 August 2012

DOI:https://doi.org/10.1103/PhysRevA.86.053201

©2012 American Physical Society

Authors & Affiliations

Jaykob N. Maser1, Mohammad H. Javani2, Ruma De1, Mohamed E. Madjet3, Himadri S. Chakraborty1,*, and Steven T. Manson2

  • 1Center for Innovation and Entrepreneurship, Department of Natural Sciences, Northwest Missouri State University, Maryville, Missouri 64468, USA
  • 2Department of Physics and Astronomy, Georgia State University, Atlanta, Georgia 30303, USA
  • 3Center for Free Electron Laser Science, DESY, Notkestrasse 85, 22607 Hamburg, Germany

  • *himadri@nwmissouri.edu

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Vol. 86, Iss. 5 — November 2012

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