Bias-induced reconstruction of hybrid interface states in magnetic molecular junctions

doi:10.1088/1674-1056/ac3caf

Abstract Based on first-principles calculations, the bias-induced evolutions of hybrid interface states in π-conjugated tricene and in insulating octane magnetic molecular junctions are investigated. Obvious bias-induced splitting and energy shift of the spin-resolved hybrid interface states are observed in the two junctions. The recombination of the shifted hybrid interface states from different interfaces makes the spin polarization around the Fermi energy strongly bias-dependent. The transport calculations demonstrate that in the π -conjugated tricene junction, the bias-dependent hybrid interface states work efficiently for large current, current spin polarization, and distinct tunneling magnetoresistance. But in the insulating octane junction, the spin-dependent transport via the hybrid interface states is inhibited, which is only slightly disturbed by the bias. This work reveals the phenomenon of bias-induced reconstruction of hybrid interface states in molecular spinterface devices, and the underlying role of conjugated molecular orbitals in the transport ability of hybrid interface states.

Keywords: molecular spinterface hybrid interface states bias effect

Received: 26 September 2021
Revised: 22 November 2021
Accepted manuscript online:

PACS:	73.63.-b	(Electronic transport in nanoscale materials and structures)
	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.11974215,21933002,and 11874242) and the Shandong Provincial Natural Science Foundation,China (Grant No.ZR2019MA043).

Corresponding Authors: Gui-Chao Hu,E-mail:hgc@sdnu.edu.cn
E-mail: hgc@sdnu.edu.cn

About author: 2021-11-24

Cite this article:

Ling-Mei Zhang(张令梅), Yuan-Yuan Miao(苗圆圆), Zhi-Peng Cao(曹智鹏), Shuai Qiu(邱帅), Guang-Ping Zhang(张广平), Jun-Feng Ren(任俊峰), Chuan-Kui Wang(王传奎), and Gui-Chao Hu(胡贵超) Bias-induced reconstruction of hybrid interface states in magnetic molecular junctions 2022 Chin. Phys. B 31 057303

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