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arXiv · 1812.08532

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

V. Nagarajan·R. Chandiramouli
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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.

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V. Nagarajan, R. Chandiramouli. 2018-12-20. Switching behaviour of stilbene molecular device: a first-principles study. https://doi.org/10.5488/cmp.21.43301

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