Theoretical design of single-molecule NOR and XNOR logic gates by using transition metal dibenzotetraaza[14]annulenes

doi:10.1088/1674-1056/ab84cf

Abstract The idea of replacing traditional silicon-based electronic components with the ones assembled by organic molecules to further scale down the electric circuits has been attracting extensive research focuses. Among the molecularly assembled components, the design of molecular logic gates with simple structure and high Boolean computing speed remains a great challenge. Here, by using the state-of-the-art nonequilibrium Green's function theory in conjugation with first-principles method, the spin transport properties of single-molecule junctions comprised of two serially connected transition metal dibenzotetraaza[14]annulenes (TM(DBTAA), TM=Fe, Co) sandwiched between two single-walled carbon nanotube electrodes are theoretically investigated. The numerical results show a close dependence of the spin-resolved current-voltage characteristics on spin configurations between the left and right molecular kernels and the kind of TM atom in TM(DBTAA) molecule. By taking advantage of spin degree of freedom of electrons, NOR or XNOR Boolean logic gates can be realized in Fe(DBTAA) and Co(DBTAA) junctions depending on the definitions of input and output signals. This work proposes a new kind of molecular logic gates and hence is helpful for further miniaturization of the electric circuits.

Keywords: single-molecule junction molecular logic gate spin transport nonequilibrium Green' s function method

Received: 01 January 2020
Revised: 19 March 2020
Accepted manuscript online:

PACS:	72.25.-b	(Spin polarized transport)
	85.65.+h	(Molecular electronic devices)
	85.75.-d	(Magnetoelectronics; spintronics: devices exploiting spin polarized transport or integrated magnetic fields)

Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 11874242, 21933002, and 11704230), China Postdoctoral Science Foundation (Grant No. 2017M612321), and the Taishan Scholar Project of Shandong Province of China.

Corresponding Authors: Chuan-Kui Wang, Guang-Ping Zhang
E-mail: ckwang@sdnu.edu.cn;zhangguangping@sdnu.edu.cn

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Zi-Qun Wang(王子群), Fei Tang(唐菲), Mi-Mi Dong(董密密), Ming-Lang Wang(王明郎), Gui-Chao Hu(胡贵超), Jian-Cai Leng(冷建材), Chuan-Kui Wang(王传奎), Guang-Ping Zhang(张广平) Theoretical design of single-molecule NOR and XNOR logic gates by using transition metal dibenzotetraaza[14]annulenes 2020 Chin. Phys. B 29 067202

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Theoretical design of single-molecule NOR and XNOR logic gates by using transition metal dibenzotetraaza[14]annulenes

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