Modulation of the spin transport properties of the iron-phthalocyanine molecular junction by carbon chains with different connection sites |
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| Institution: | 1. St. Petersburg State University, 190000 St. Petersburg, Russia;2. Kurnakov Institute for General and Inorganic Chemistry, Russian Academy of Sciences, 119991 Moscow, Russia;3. Department of Physics, M. V. Lomonosov Moscow State University, 119899 Moscow, Russia;4. SPINTEC, Univ. Grenoble Alpes/ CEA/ CNRS, F-38000 Grenoble, France;1. School of Physics, University of Hyderabad, Hyderabad 500046, India;2. Department of Physics, Visvabharathi University, Shantinekatan, Birbhum, India;1. Department of Physics, Yancheng Institute of Technology, Yancheng 224051, China;2. Department of Physics, Hunan Institute of Engineering, Xiangtan 411104, China;3. Department of Physics, Nanjing Normal University, Nanjing 210023, China;4. Department of Physics, Xiangtan University, Xiangtan 411105, China;1. Institute of Inorganic Chemistry, Slovak Academy of Sciences, 84536 Bratislava, Slovakia;2. Department of Chemistry, Faculty of Science, Helwan University, 11795 Cairo, Egypt;3. Faculty of Physics and Centre for Computational Materials Science, University of Vienna, A-1090 Wien, Austria;1. Department of Materials Science and Engineering, Iowa Stae University, Ames, IA;2. Department of Chemistry, Auburn University, Auburn, AL |
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| Abstract: | Based on the non-equilibrium Green's function method combined with the density functional theory, the spin transport properties of an iron-phthalocyanine (FePc) molecule connected to two Au electrodes by carbon chains are investigated, and three kinds of connecting position between FePc molecule and carbon chains are considered. It is found that the spin filtering effect and the negative differential resistance (NDR) behavior in these systems can be achieved in the calculated bias region. However, the efficiency and the bias region of spin filtering are affected significantly by the connecting positions. The above results are explained by the spin-resolved transmission spectrum, electron transmitting path, molecular projected self consistent Hamiltonian state, and the local density of states (LDOS) analyses. Our calculations demonstrate a promising modification for developing molecule spintronic devices. |
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| Keywords: | Spin-filtering Negative differential resistance (NDR) Iron-phthalocyanine (FePc) molecule |
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