On the behavior of scattering phases in collisions of electrons with multi-atomic objects

TL;DR

This study investigates how the presence of an inner atom like Neon or Argon inside a C60 fullerene affects scattering phases, revealing that the total phase is a sum of atomic and fullerene contributions, contrary to previous assumptions.

Contribution

It demonstrates that the total scattering phase in endohedral systems is a sum of atomic and fullerene phases, challenging intuitive expectations.

Findings

Inner atom presence qualitatively affects scattering phases.

Total phase is a sum of atomic and fullerene phases.

Calculations performed using HF and RPAE methods.

Abstract

We have studied the energy dependence of several first scattering phases with multi-atomic object. As concrete examples representing the general trends endohedrals Neon inside C60 and Argon inside C60 are considered. It appeared that the presence of an inner atom, either Ne or Ar, qualitatively affects the scattering phases, in spite of the fact that the fullerene consists of 60 carbon atoms, while the atom staffed inside is only one. Calculations are performed in the one-electron Hartree-Fock (HF) and random phase approximation with exchange (RPAE) for the inner atom while the fullerenes shell is substituted by static potential without and with the polarization potential. It appeared that the total endohedral scattering phase is simply a sum of atomic, Ne or Ar, and fullerenes C60 phases, contrary to the intuitive assumption that the total phases on C60 and Neon inside C60 or Ar inside C60 has to be the same.