Switching behaviour of stilbene molecular device: a first-principles study

Abstract

The switching behaviour of stilbene molecular system (SMS) device is investigated with the help of non-equilibrium Green's function (NEGF) approach using first principles calculation. The transmission spectrum of cis-isomers confirmed that more electrons are transferred across the SMS-device using optical excitation by the spin of C$=$C bond by torsion angle $(\theta =180^{\circ })$. The current-voltage characteristics show the lower magnitude of current for trans-stilbene and higher magnitude of current for cis-stilbene for an externally applied bias voltage. The outcome of the proposed work suggests that cis and trans-stilbene molecular device can be used as a switch.

12 pages, 10 figures

References in corpus (2)

• Band gap modulation in polythiophene and polypyrrole-based systems
• Current rectification by asymmetric molecules: An ab initio study