Electro-physical properties of GaAs nanoscopic clusters
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)...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2022-06-01
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| Series: | Chemical Physics Impact |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2667022422000081 |