Abstract
We present an ab initio analysis of electron conduction through a molecular device. Charge transfer from the device electrodes to the molecular region is found to play a crucial role in aligning the lowest unoccupied molecular orbital of the to the Fermi level of the electrodes. This alignment induces a substantial device conductance of A gate potential can inhibit charge transfer, and introduce a conductance gap near changing the current-voltage characteristics from metallic to semiconducting, thereby producing a field-effect molecular current switch.
- Received 12 December 2000
DOI:https://doi.org/10.1103/PhysRevB.63.121104
©2001 American Physical Society