Chin. Phys. Lett.  2016, Vol. 33 Issue (04): 047101    DOI: 10.1088/0256-307X/33/4/047101
CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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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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.
Received: 12 November 2015      Published: 29 April 2016
PACS:  71.15.Mb (Density functional theory, local density approximation, gradient and other corrections)  
  73.23.-b (Electronic transport in mesoscopic systems)  
  85.65.+h (Molecular electronic devices)  
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https://cpl.iphy.ac.cn/10.1088/0256-307X/33/4/047101       OR      https://cpl.iphy.ac.cn/Y2016/V33/I04/047101
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Cai-Juan Xia
Bo-Qun Zhang
Mao Yang
Chun-Lan Wang
Ai-Yun Yang
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