Multifunctionality for the nanojunction of a rotating p-phenylene vinylene molecule between graphene leads |
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| Institution: | 1. Department of Physics and Key Laboratory for Low-Dimensional Structures and Quantum Manipulation (Ministry of Education), Hunan Normal University, Changsha 410081, China;2. School of Computer Science, Jiangxi University of Traditional Chinese Medicine, Nanchang 330004, China;3. Department of Applied Physics, School of Mathematics and Statistics, Hunan University of Technology and Business, Changsha 410205, China;4. Hunan Key Laboratory of Super Micro-structure and Ultrafast Process, School of Physics and Electronics, Central South University, Changsha 410083, China;5. Department of Physics and Institute of Modern Physics, Hunan University of Science and Technology, Xiangtan 411201, China;6. School of Energy and Mechanical Engineering, Jiangxi University of Science and Technology, Nanchang 330013, China |
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| Abstract: | With the multi-functional molecular device based on graphene nanoribbon being deeply studied in experiment, the zigzag-edged graphene device is still worth to investigate. Employing the ab-initio method, the spin transport properties have been studied for the nanojunctions consisting of a p-phenylene vinylene (PPV) molecule sandwiched between two-probe leads of zigzag-edged graphene nanoribbons (ZGNRs). A series of obvious electromagnetic transmission functionalities, including spin switching, negative differential resistance (NDR), dual spin-filtering, magnetoresistance and spin-diode behaviors, are numerically referred in the proposed molecular junction within spin parallel or antiparallel configurations. The performance of switching and double spin filtering can be explained by the transport spectra or total transmission pathways. Besides, the rectification effect is due to the asymmetry spatial distribution of the local density of states as well as the corresponding coupling between the PPV molecule and leads. It is expected that the designed models can be ideal candidate for future spintronic device. |
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| Keywords: | First principle calculation Spin transport properties Molecular junction Graphene Rotation mechanism |
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