Electronic Structure and Optical Absorption Spectrum of Icosahedral Golden Fullerene Au32

Аннотация

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.