Anisotropic spin transport and photoresponse characteristics detected by tip movement in magnetic single-molecule junction

doi:10.1088/1674-1056/ad1e65

中国物理B ›› 2024, Vol. 33 ›› Issue (4): 47201-047201.doi: 10.1088/1674-1056/ad1e65

Anisotropic spin transport and photoresponse characteristics detected by tip movement in magnetic single-molecule junction

Deng-Hui Chen(陈登辉), Zhi Yang(羊志), Xin-Yu Fu(付新宇), Shen-Ao Qin(秦申奥), Yan Yan(严岩), Chuan-Kui Wang(王传奎), Zong-Liang Li(李宗良)^†, and Shuai Qiu(邱帅)^‡

Shandong Key Laboratory of Medical Physics and Image Processing & Shandong Provincial Engineering and Technical Center of Light Manipulations, School of Physics and Electronics, Shandong Normal University, Jinan 250358, China

收稿日期:2023-10-12 修回日期:2024-01-01 接受日期:2024-01-15 出版日期:2024-03-19 发布日期:2024-03-27
通讯作者: Zong-Liang Li, Shuai Qiu E-mail:lizongliang@sdnu.edu.cn;shuaiqiu@sdnu.edu.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11974217, 12204281, and 21933002) and the Shandong Provincial Natural Science Foundation (Grant No. ZR2022QA068).

Anisotropic spin transport and photoresponse characteristics detected by tip movement in magnetic single-molecule junction

Deng-Hui Chen(陈登辉), Zhi Yang(羊志), Xin-Yu Fu(付新宇), Shen-Ao Qin(秦申奥), Yan Yan(严岩), Chuan-Kui Wang(王传奎), Zong-Liang Li(李宗良)^†, and Shuai Qiu(邱帅)^‡

Shandong Key Laboratory of Medical Physics and Image Processing & Shandong Provincial Engineering and Technical Center of Light Manipulations, School of Physics and Electronics, Shandong Normal University, Jinan 250358, China

Received:2023-10-12 Revised:2024-01-01 Accepted:2024-01-15 Online:2024-03-19 Published:2024-03-27
Contact: Zong-Liang Li, Shuai Qiu E-mail:lizongliang@sdnu.edu.cn;shuaiqiu@sdnu.edu.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11974217, 12204281, and 21933002) and the Shandong Provincial Natural Science Foundation (Grant No. ZR2022QA068).

1. 2024-047201-SI.pdf(247KB)

摘要/Abstract

摘要： Orientation-dependent transport properties induced by anisotropic molecules are enticing in single-molecule junctions. Here, using the first-principles method, we theoretically investigate spin transport properties and photoresponse characteristics in trimesic acid magnetic single-molecule junctions with different molecular adsorption orientations and electrode contact sites. The transport calculations indicate that a single-molecule switch and a significant enhancement of spin transport and photoresponse can be achieved when the molecular adsorption orientation changes from planar geometry to upright geometry. The maximum spin polarization of current and photocurrent in upright molecular junctions exceeds 90%. Moreover, as the Ni tip electrode moves, the tunneling magnetoresistance of upright molecular junctions can be increased to 70%. The analysis of the spin-dependent PDOS elucidates that the spinterfaces between organic molecule and ferromagnetic electrodes are modulated by molecular adsorption orientation, where the molecule in upright molecular junctions yields higher spin polarization. Our theoretical work paves the way for designing spintronic devices and optoelectronic devices with anisotropic functionality base on anisotropic molecules.

关键词: molecular spintronics, spin polarization, tunneling magnetoresistance, photocurrent, single-molecule junctions

Abstract: Orientation-dependent transport properties induced by anisotropic molecules are enticing in single-molecule junctions. Here, using the first-principles method, we theoretically investigate spin transport properties and photoresponse characteristics in trimesic acid magnetic single-molecule junctions with different molecular adsorption orientations and electrode contact sites. The transport calculations indicate that a single-molecule switch and a significant enhancement of spin transport and photoresponse can be achieved when the molecular adsorption orientation changes from planar geometry to upright geometry. The maximum spin polarization of current and photocurrent in upright molecular junctions exceeds 90%. Moreover, as the Ni tip electrode moves, the tunneling magnetoresistance of upright molecular junctions can be increased to 70%. The analysis of the spin-dependent PDOS elucidates that the spinterfaces between organic molecule and ferromagnetic electrodes are modulated by molecular adsorption orientation, where the molecule in upright molecular junctions yields higher spin polarization. Our theoretical work paves the way for designing spintronic devices and optoelectronic devices with anisotropic functionality base on anisotropic molecules.

Key words: molecular spintronics, spin polarization, tunneling magnetoresistance, photocurrent, single-molecule junctions

中图分类号: (Spin polarized transport)

72.25.-b

75.47.-m (Magnetotransport phenomena; materials for magnetotransport) 85.75.-d (Magnetoelectronics; spintronics: devices exploiting spin polarized transport or integrated magnetic fields)

Deng-Hui Chen(陈登辉), Zhi Yang(羊志), Xin-Yu Fu(付新宇), Shen-Ao Qin(秦申奥), Yan Yan(严岩), Chuan-Kui Wang(王传奎), Zong-Liang Li(李宗良), and Shuai Qiu(邱帅). Anisotropic spin transport and photoresponse characteristics detected by tip movement in magnetic single-molecule junction[J]. 中国物理B, 2024, 33(4): 47201-047201.

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Anisotropic spin transport and photoresponse characteristics detected by tip movement in magnetic single-molecule junction

Anisotropic spin transport and photoresponse characteristics detected by tip movement in magnetic single-molecule junction

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