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Abstract

Using non-equilibrium Green's function combined with density functional theory, we investigate the spin-resolved transport properties of the zigzag SiC nanoribbon (zSiCNR) connecting anthradithiophene (ADT) molecules and obtain the giant spin current rectification in the presence of a ferromagnetic field. The dual-hydrogenation on edge C atoms or Si atoms can change the initial metallicity of the pristine zSiCNR with the edge mono-hydrogenation into semiconductivity in the presence of a ferromagnetic field. The up-spin current-voltage characteristic of the cis-ADT device and the trans-ADT device can present the significant rectification, and the corresponding giant spin current rectification ratios are close to 10 ¹¹and 10 ¹⁰respectively. In addition, the current-voltage characteristics of two devices both perform a perfect spin filtering behavior in the positive bias region due to the huge difference between the up-spin current value and the down-spin current value. These findings are of great significance in the functional applications of spin-resolved molecular devices in the future.

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Authors and contacts

Corresponding author:Fan Zhi-Qiang,zqfan@csust.edu.cn

Funds:Project supported by the National Natural Science Foundation of China (Grant Nos. 12074046, 61771076), the Natural Science Foundation of Hunan Province, China (Grant Nos. 2020JJ4597, 2021JJ30733, 2021JJ40558), and the Postgraduate Scientific Research Innovation Program of Hunan Province, China (Grant No. CX20210827).

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Vol. 71, Issue 7 - 2022-04-05

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