Two-electron photoionization of endohedral atoms

Abstract

Using He@C 60 as an example, we demonstrate that static potential of the fullerene core essentially alters the cross section of the two-electron ionization differential in one-electron energy dσ ++ (ω)/dε. We found that at high photon energy prominent oscillations appear in it due to reflection of the second, slow electron wave on the C 60 shell, which "dies out" at relatively high ε values, of about 2÷3 two-electron ionization potentials. The results were presented for ratios, where dσ a++ (ω, ε)/dε is the two-electron differential photoionization cross section. We have calculated the ratio R i,f ul = σ, that accounts for reflection of both photoelectrons by the C 60 shell. We have calculated also the value of twoelectron photoionization cross section σ ++ (ω) and found that this value is close to that of an isolated He atom.

Single photoionization with excitation and double photoionization of He@C36, He@C60and He@C82

“…Akin to the single photoionization process in endofullerenes, confinement resonance structure has also been predicted to occur in the double photoionization cross section [14][15][16][17]. However, the related two-electron process of single photoionization with excitation in which one of the atomic electrons is ejected into the continuum while the other is excited to a bound state n of the atomic ion, to the best of our knowledge, has not been considered.…”

Diffusion of the Li+ Ion on C60: A DFT and Molecular Dynamics Study

“…Metallofullerenes have received much attention because of their application potential in various fields from basis science to high technology engineering. Studying the properties of these systems has been stimulated by the observation of superconductivity in C 60 crystals with metal impurities. − Endohedral complexes of C 60 with metals in the lanthanide series, group III transition metals, alkali-earth, and alkaline metals (potassium, rubidium, and cesium) have received the most study to date. , …”

Diffusion Dynamics of the Li Ion on C60: A Direct Molecular Orbital−Molecular Dynamics Study

“…The chemistry of fullerenes consists of wide fields from basic science to technological application. − Also, it has potential utilities from electronic materials to medical pharmacy . The variety of utilities is originated in the specific properties of C 60 which can interact easily with several atoms, ions, and molecules inside and outside of C 60 .…”