| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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Effect of Chirality on the Electronic Transport Properties of the Thioxanthene-Based Molecular Switch |
| Cai-Juan Xia**, Bo-Qun Zhang, Mao Yang, Chun-Lan Wang, Ai-Yun Yang |
School of Science, Xi'an Polytechnic University, Xi'an 710048
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| Cite this article: |
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Cai-Juan Xia, Bo-Qun Zhang, Mao Yang et al 2016 Chin. Phys. Lett. 33 047101 |
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Abstract Based on the nonequilibrium Green function method and density functional theory calculations, we theoretically investigate the effect of chirality on the electronic transport properties of thioxanthene-based molecular switch. The molecule comprises the switch which can exhibit different chiralities, that is, cis-form and trans-form by ultraviolet or visible irradiation. The results clearly reveal that the switching behaviors can be realized when the molecule converts between cis-form and trans-form. Furthermore, the on-off ratio can be modulated by the chirality of the carbon nanotube electrodes. The maximum on-off ratio can reach 109 at 0.4 V for the armchair junction, suggesting potential applications of this type of junctions in future design of functional molecular devices.
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Received: 12 November 2015
Published: 29 April 2016
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| PACS: |
71.15.Mb
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(Density functional theory, local density approximation, gradient and other corrections)
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73.23.-b
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(Electronic transport in mesoscopic systems)
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85.65.+h
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(Molecular electronic devices)
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