Abstract
Electron transport properties of Si4 cluster-Au (100) electrode nanojunction is investigated with a combination of density functional theory and non-equilibrium Green's function method. We calculate the geometric structures, electronic structures, conductances, transmission spectra and charge transfers of Au-Si4-Au nanoscale junctions under different distances. We also discuss the variations of conductance and current with external voltage when the distance of junction is 12.004 Å.
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