Electron elastic scattering off A@C₆₀: The role of atomic polarization under confinement

الأصل · EN

The present paper explores possible features of electron elastic scattering off endohedral fullerenes A@C₆₀. It focuses on how dynamical polarization of the encapsulated atom A by an incident electron might alter scattering off A@C₆₀ compared to the static-atom-A case, as well as how the C₆₀ 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 C₆₀ cage. To meet the goal, the C₆₀ 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 C₆₀ is solved in order to account for the impact of dynamical polarization of the encaged atom upon e + A@ C₆₀ scattering. The Ba@C₆₀ 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.