Abstract
The electric current through the Cu-GaAs-Cu nanoclusters and their quasi-bandgap widths (HOMO-LUMO differences) are calculated. The ab initio electron propagator theory (Green-Keldysh functions formalism) is implemented for the calculations (that has been never done before for Cu-As-Cu nanoclusters). The calculated current-voltage characteristics exhibit non-linear character with magnitudes of current reaching several pAs. The calculated quasi-bandgap width (HOMO-LUMO difference) of nanocluster exhibits solid-like behavior with the increase of nanocluster's size. The obtained dependencies and characteristics will be useful for semiconductor quantum-dots manufactures and practitioners in the field of semiconductor nanoelectronics and optoelectronics, in particular, for developers of EM radiation sources and detectors with frequency-tuning ability.
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