Dynamical screening of an endohedral atom

Abstract

The present work is a generalisation of the dynamical screening factor presented in [1] to consider an atom located at an arbitrary position within the fullerene. A more elaborated investigation into the case where the atom is located at the centre is performed and compared with quantum mechanical calculations for dynamical screening factor of Ar@C${}_{60}$ [2] and Mg@C${}_{60}$ [3]. The $\pi$ and $\sigma$ plasmons of the fullerene are accounted for in a modified screening factor to improve correspondence with the quantum calculations. The spatial dependence of the screening factor was explored with Ar@C${}_{60}$ and Ar@C${}_{240}$ and found to depend significantly on the radial distance of the atom from the centre of the fullerene. A spatial averaging of the screening factor is presented.

18 pages, 7 figures

References in corpus (4)

• Towards a fullerene-based quantum computer
• Dynamical Screening of Atom Confined by Finite-Width Fullerene
• Photoionization of Xe 3d electrons in molecule Xe@C60: interplay of intra-doublet and confinement resonances
• Photoionization of 3d electrons of Xe, Cs and Ba endohedral atoms: comparative analyses

Cited by in corpus (5)

• Causal Decomposition in the Mutual Causation System
• Confinement resonances in photoionization of endohedral atoms: a myth or reality?
• Vacancy decay in endohedral atoms: the role of non-central position of the atom
• Photoionization of multishell fullerenes studied by ab initio and model approaches
• Photoionization of bonding and antibonding-type atom-fullerene hybrid states in Cd@C${}_{60}$ vs Zn@C${}_{60}$60