Abstract:

Based on the first principle calculation method, the effects of bias voltage and the distance between two electrodes on the transport properties of the Au／molecule／Au junctions was investigated. The bias voltage corresponding to the first onset of the conductance decreases with the electrode distance from 1.278nm to 1.298nm, and increases with the electrode distance from 1.298nm to 1.398nm. The electron accumulation at the interface between molecule and electrode resulting from the bias can hamper electron tunneling. Good agreement between calculation results and experimental results in conductive features was achieved.

Key words: electron transport; tunnelling junction; the distance between electrodes