Kalmykov Anton. Ab initio calculations of electro-physical properties of Gaas nanoscopic clusters using electron propagator theory
Submitted on: Aug 28, 2019, 06:25:38
Natural Sciences / Physics / Quantum field theory
Description: 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. 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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