Volume-Localized Quantum Levels in Charged Fullerenes

Abstract

The existence of a system of short-lived, discrete, volume-localized, electronic, quantum levels in positively charged fullerenes is shown theoretically and numerically for the example of the fullerenes C₆₀. The results of three-dimensional calculations performed using the QuantumEspresso package are presented. The structures of the quantum levels in charged fullerenes were calculated numerically in a wide range of transitions from 4 eV for the fullerene \( {C}_{60}^{+ 1} \) to 40 eV for the fullerene \( {C}_{60}^{+ 1} \). The results confirm previous theoretical work on the possible existence of single-particle excited electronic states localized in the volume of positively charged fullerene C₆₀. Thus, the electrons captured in these discrete levels of fullerene form a kind of short-lived superheavy pseudoatom in which the electrons are localized inside a positively charged spherical nucleus with atomic mass 240 a.u. for C₂₀ and 720 a.u. for C₆₀. In conclusion, the possibility of generating coherent radiation on these transitions is discussed.