| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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Theoretical design of thermal spin molecular logic gates by using a combinational molecular junction |
| Yi Guo(郭逸)1, Peng Zhao(赵朋)1,†, and Gang Chen(陈刚)2 |
1 School of Physics and Technology, University of Jinan, Jinan 250022, China;
2 School of Physics and Electronics, Shandong Normal University, Jinan 250358, China |
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Abstract Based on the density functional theory combined with the nonequilibrium Green function methodology, we have studied the thermally-driven spin-dependent transport properties of a combinational molecular junction consisting of a planar four-coordinate Fe molecule and a 15,16-dinitrile dihydropyrene/cyclophanediene molecule, with single-walled carbon nanotube bridge and electrode. Our results show that the magnetic field and light can effectively regulate the thermally-driven spin-dependent currents. Perfect thermal spin-filtering effect and good thermal switching effect are realized. The results are explained by the Fermi-Dirac distribution function, the spin-resolved transmission spectra, the spatial distribution of molecular projected self-consistent Hamiltonian orbitals, and the spin-resolved current spectra. On the basis of these thermally-driven spin-dependent transport properties, we have further designed three basic thermal spin molecular AND, OR, and NOT gates.
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Received: 21 August 2021
Revised: 31 October 2021
Accepted manuscript online: 17 November 2021
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PACS:
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72.25.-b
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(Spin polarized transport)
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85.65.+h
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(Molecular electronic devices)
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85.75.-d
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(Magnetoelectronics; spintronics: devices exploiting spin polarized transport or integrated magnetic fields)
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| Fund: Project supported by the Natural Science Foundation of Shandong Province, China (Grant No. ZR2021MA059) and the Major Scientific and Technological Innovation Project (MSTIP) of Shandong Province, China (Grant No. 2019JZZY010209). |
Corresponding Authors:
Peng Zhao
E-mail: ss_zhaop@ujn.edu.cn
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Cite this article:
Yi Guo(郭逸), Peng Zhao(赵朋), and Gang Chen(陈刚) Theoretical design of thermal spin molecular logic gates by using a combinational molecular junction 2022 Chin. Phys. B 31 047202
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