The spin-dependent electronic transport properties of M(dcdmp)2 (M = Cu,Au, Co,Ni) molecular devices based on zigzag graphene nanoribbon electrodes |
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| Authors: | Dongde Li Di Wu Xiaojiao Zhang Bowen Zeng Mingjun Li Haiming Duan Bingchu Yang Mengqiu Long |
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| Institution: | 1. Hunan Key Laboratory of Super Micro-structure and Ultrafast Process, School of Physics and Electronics, Central South University, Changsha 410083, China;2. Physical Science and Technology College of Yichun University, Yuanzhou, Yichun 336000, China;3. School of Physical Science and Technology, Xinjiang University, Urumqi, 830046, China |
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| Abstract: | The spin-dependent electronic transport properties of M(dcdmp)2 (M = Cu, Au, Co, Ni; dcdmp = 2,3-dicyano-5,6-dimercaptopyrazyne) molecular devices based on zigzag graphene nanoribbon (ZGNR) electrodes were investigated by density functional theory combined nonequilibrium Green's function method (DFT-NEGF). Our results show that the spin-dependent transport properties of the M(dcdmp)2 molecular devices can be controlled by the spin configurations of the ZGNR electrodes, and the central 3d-transition metal atom can introduce a larger magnetism than that of the nonferrous metal one. Moreover, the perfect spin filtering effect, negative differential resistance, rectifying effect and magnetic resistance phenomena can be observed in our proposed M(dcdmp)2 molecular devices. |
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| Keywords: | Density functional theory Zigzag graphene nanoribbon Spin-dependent transport property Magnetic resistance |
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