Abstract
We introduce a full interaction Hamiltonian method to the generalized quantum chemical approach and apply it to investigate the electron tunneling properties of 1,3-benzenedithiol molecular device. The weak gate effect we calculate is consistent with the experiment. The asymmetric current character mainly comes from the asymmetry of the molecule and the nonlinear responding to the gate electric field.
| Original language | English |
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| Article number | 048502 |
| Journal | Chinese Physics Letters |
| Volume | 27 |
| Issue number | 4 |
| DOIs | |
| Publication status | Published - 2010 |