Condensed Matter Physics, 2018, vol. 21, No. 4, 43301
DOI:10.5488/CMP.21.43301
arXiv:1812.08532
Title:
Switching behaviour of stilbene molecular device: a first-principles study
Author(s):
 
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V. Nagarajan
(School of Electrical and Electronics Engineering, SASTRA Deemed University, Tirumalaisamudram, Thanjavur — 613 401, India)
,
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R. Chandiramouli
(School of Electrical and Electronics Engineering, SASTRA Deemed University, Tirumalaisamudram, Thanjavur — 613 401, India)
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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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