Title: Switching behaviour of stilbene molecular device: a first-principles study
Author(s):

	V. Nagarajan (School of Electrical and Electronics Engineering, SASTRA Deemed University, Tirumalaisamudram, Thanjavur — 613 401, India) ,
	R. Chandiramouli (School of Electrical and Electronics Engineering, SASTRA Deemed University, Tirumalaisamudram, Thanjavur — 613 401, India)

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 (θ = 180°). 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.

Key words: stilbene, molecular device, electron density, switching, transmission
PACS: 33.15.Mt, 61.43.Bn, 61.46.Bc, 78.20.Bh

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