Electron vacancy-level dependent hybrid photoionization of F-@C60+ molecule

Abstract

Our previous studies [J. Phys. B 53, 125101 (2020); Euro. Phys. J. D 74, 191 (2020)] have predicted that the atom-fullerene hybrid photoionization properties for X = Cl, Br and I endohedrally confined in C60 are different before and after an electron transfers from C60 to the halogen. It was further found as a rule that the ionization dynamics is insensitive to the C60 level the electron originates from to produce X-@C60+. In the current study, we report an exception to this rule in F@C60. It is found that when the electron vacancy is situated in the C60 level that participates in the hybridization in F-@C60+, the mixing becomes dramatically large leading to strong modifications in the photoionization of the hybrid levels. But when the vacancy is at any other pure level of C60, the level-invariance is retained showing weak hybridization. Even though this case of F@C60 is an anomaly in the halogen@C60 series, the phenomenon can be more general and can occur with compounds of other atoms caged in a variety of fullerenes. In addition, possible experimental studies are suggested to benchmark the present results.

9 pages, 6 figures, journal submitted

References in corpus (4)

• Room Temperature Electrical Detection of Spin Coherence in C60
• Environmental effects on electron spin relaxation in N@C60
• Entanglement, Berry Phases, and Level Crossings for the Atomic Breit-Rabi Hamiltonian
• A density functional theory based comparative study of hybrid photoemissions from Cl@C60, Br@C60 and I@C60