Electronic Structure and Optical Absorption Spectrum of Icosahedral Golden Fullerene Au32

Abstract

Abstract—The electronic structure of golden fullerene Au32 has been studied using quantum field theory methods in the framework of the Hubbard model. Expressions for the Fourier transforms of a Green’s function, the poles of which determine the energy spectrum of the nanosystem under consideration, have been derived. The energy spectrum of Au32, studied in comparison with the spectrum of icosahedral carbon fullerene C60, indicates the semiconductor state of golden fullerene Au32. The peaks of the density of states correspond to Van Hove singularities. The optical absorption spectra of the neutral and negatively charged fullerene Au32 are presented. The energy of the first direct optical transition of the negatively charged ion of golden fullerene $${\text{Au}}_{{32}}^{ - }$$ is 1.26 eV.