Theoretical study of electronic properties of gold fullerenes Au-16-Au-20

摘要

A theoretical study of gold fullerenes Au-16-Au-20 as strongly correlated electron systems is carried out within the framework of the Hubbard model in the approximation of static fluctuations. The Fourier transforms of anticommutator Green's functions for electrons at different fullerene sites of gold atoms are obtained and energy spectra are constructed. The density of electron states, the graphical depiction of the equation for the chemical potential, thermodynamic averages characterizing electron transitions among adjacent sites and the description of the probabilities of detecting two electrons with oppositely oriented spin projections on a single site within nanosystems are presented and analyzed. The considered gold fullerenes are demonstrated to possess semiconductor properties. Published under license by AIP Publishing.