Conduction switching behaviors of a small molecular device

We calculate the current-voltage properties for a small organic molecule system based on the local atomic orbital density-functional theory. It has been found that our system has a distinctive conduction switching behavior with the on/off ratio on the order of 10(2) at a bias of 0.8 V and then up to more than the order of 10(3) in a bias range from 0.8 to 1.8 V, and its explicit steady state and metastable state can be converted to each other by thermal activation. These findings suggest that this small molecular system has obvious potential advantages for the realization of the miniaturized molecular switch.