Electron transfer and level crossing induce anomalous photoionization along halogen@C<sub>60</sub> series

POSTER

Abstract

Our earlier study finds that the photoionization properties of the configurations Cl−@C60+, Br−@C60+ and I−@C60+ are insensitive to the C60 level where the vacancy is formed following the electron transfer [1,2]. This is because, before the transfer, the neutral halogen np level is energetically above the 2p level of empty C60, so the transfer induced screening separates the levels further. The situation is different if the free atomic level locates below 2pC60 as is the case for the halogen F. In forming F−@C60+, therefore, the screening from the transfer causes 2pF to rise and move toward 2pC60 from below it. This creates the condition of a reduced level-separation leading to a crossing, instead of the increase as happens for other halogens. The effect sensitizes the atom-C60 hybridization mechanism. As a result, the transfer of a hybrid versus a pure C60 electron makes a difference [3]. Many body DFT calculations for the photoionization of pure and hybrid levels along this halogen series will be presented to showcase this novel but anomalous phenomenon.

References



[1] D. Shields et al., J. Phys. B 53, 125101 (2020).

[2] D. Shields et al., Euro. Phys. J. D 74, 191 (2020).

[3] E. Ali et al., J. Phys. B (2022), in press, 107061.R1.



*Supported by the National Science Foundation grant PHY-1806206, PHY-2135107, and the US Department of Energy, Office of Science, Basic Energy Sciences grant DEFG02-03ER15428.

Publication: [1] D. Shields et al., J. Phys. B 53, 125101 (2020).
[2] D. Shields et al., Euro. Phys. J. D 74, 191 (2020).
[3] E. Ali et al., J. Phys. B (2022), in press, 107061.R1.

Presenters

  • Ruma De

    • Department of Natural Sciences, D.L. Hubbard Center for Innovation, Loess Hills Research Center, Northwest Missouri State University, Maryville, Missouri 64468, USA
    • Department of Natural Sciences, D L Hubbard Center for Innovation, Loess Hills Research Center, Northwest Missouri State University, Maryville, Missouri 64468, USA

Authors

  • Ruma De

    • Department of Natural Sciences, D.L. Hubbard Center for Innovation, Loess Hills Research Center, Northwest Missouri State University, Maryville, Missouri 64468, USA
    • Department of Natural Sciences, D L Hubbard Center for Innovation, Loess Hills Research Center, Northwest Missouri State University, Maryville, Missouri 64468, USA

  • Esam Ali

    • Department of Natural Sciences, D.L. Hubbard Center for Innovation, Loess Hills Research Center, Northwest Missouri State University, Maryville, Missouri 64468, USA
    • Department of Natural Sciences, D L Hubbard Center for Innovation, Loess Hills Research Center, Northwest Missouri State University, Maryville, Missouri 64468, USA
    • Department of Physics, Faculty of Science, University of Benghazi, Benghazi 9480, Libya;Department of Natural Sciences, Northwest Missouri State University, Maryville, Missouri 64468, USA
    • Department of Natural Sciences, Northwest Missouri State University, Maryville, Missouri 64468, USA; Department of Physics, Faculty of Science, University of Benghazi, Benghazi 9480, Libya

  • Taylor O’Brien

    • Department of Natural Sciences, D L Hubbard Center for Innovation, Loess Hills Research Center, Northwest Missouri State University, Maryville, Missouri 64468, USA

  • Dakota W Shields

    • Department of Natural Sciences, D L Hubbard Center for Innovation, Loess Hills Research Center, Northwest Missouri State University, Maryville, Missouri 64468, USA

  • Andrew Dennis

    • Department of Natural Sciences, D L Hubbard Center for Innovation, Loess Hills Research Center, Northwest Missouri State University, Maryville, Missouri 64468, USA

  • Maia Magrakvelidze

    • Department of Natural Sciences, D L Hubbard Center for Innovation, Loess Hills Research Center, Northwest Missouri State Univ; Science Department, Cabrini University, Radnor, Pennsylvania 19087, USA

  • Mohamed El-Amine Madjet

    • Bremen Center of Computational Materials Science, University of Bremen, Bremen, Germany
    • Department of Natural Sciences, D L Hubbard, Loess Hills Research Center, NWMSU, Maryville, MO 64468, USA; Bremen Center of Computational Materials , Univ. of Bremen, Germany
    • University of Bremen

  • Steve Manson

    • Department of Physics and Astronomy, Georgia State University, Atlanta, Georgia 30303, USA

  • Himadri Chakraborty

    • Department of Natural Sciences, D.L. Hubbard Center for Innovation, Loess Hills Research Center, Northwest Missouri State University, Maryville, Missouri 64468, USA
    • Northwest Missouri State Univ
    • Department of Natural Sciences, D L Hubbard Center for Innovation, Loess Hills Research Center, Northwest Missouri State University, Maryville, Missouri 64468, USA