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arXiv · 1511.00066

Electron elastic scattering off $A$@C$_{60}$: The role of atomic polarization under confinement

V. K. Dolmatov·M. Ya. Amusia·L. V. Chernysheva
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Abstract

The present paper explores possible features of electron elastic scattering off endohedral fullerenes $A$@C$_{60}$. It focuses on how dynamical polarization of the encapsulated atom $A$ by an incident electron might alter scattering off $A$@C$_{60}$ compared to the static-atom-$A$ case, as well as how the C$_{60}$ confinement modifies the impact of atomic polarization on electron scattering compared to the free-atom case. The aim is to provide researchers with a "relative frame of reference" for understanding which part of the scattering processes could be due to electron scattering off the encapsulated atom and which due to scattering off the C$_{60}$ cage. To meet the goal, the C$_{60}$ cage is modeled by an attractive spherical potential of a certain inner radius, thickness, and depth which is a model used frequently in a great variety of fullerene studies to date. Then, the Dyson equation for the self-energy part of the Green's function of an incident electron moving in the combined field of an encapsulated atom $A$ and C$_{60}$ is solved in order to account for the impact of dynamical polarization of the encaged atom upon $e + A@{\rm C_{60}}$ scattering. The Ba@C$_{60}$ endohedral is chosen as the case study. The impact is found to be significant, and its utterly different role compared to that in $e + Ba$ scattering is unraveled.

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V. K. Dolmatov, M. Ya. Amusia, L. V. Chernysheva. 2015-10-31. Electron elastic scattering off $A$@C$_{60}$: The role of atomic polarization under confinement. https://doi.org/10.1103/physreva.92.042709

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