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

doi:10.1088/1674-1056/ad1e65

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.

Keywords: molecular spintronics spin polarization tunneling magnetoresistance photocurrent single-molecule junctions

Received: 12 October 2023
Revised: 01 January 2024
Accepted manuscript online: 15 January 2024

PACS:	72.25.-b	(Spin polarized transport)
	75.47.-m	(Magnetotransport phenomena; materials for magnetotransport)
	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. 11974217, 12204281, and 21933002) and the Shandong Provincial Natural Science Foundation (Grant No. ZR2022QA068).

Corresponding Authors: Zong-Liang Li, Shuai Qiu
E-mail: lizongliang@sdnu.edu.cn;shuaiqiu@sdnu.edu.cn

Cite this article:

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 2024 Chin. Phys. B 33 047201

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

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