Conformational change-modulated spin transport at single-molecule level in carbon systems

doi:10.1088/1674-1056/ac872d

中国物理B ›› 2022, Vol. 31 ›› Issue (12): 127201-127201.doi: 10.1088/1674-1056/ac872d

所属专题： SPECIAL TOPIC — The third carbon: Carbyne with one-dimensional sp-carbon

Conformational change-modulated spin transport at single-molecule level in carbon systems

Yandong Guo(郭艳东)^1,2,3,†, Xue Zhao(赵雪)¹, Hongru Zhao(赵鸿儒)¹, Li Yang(杨丽)¹, Liyan Lin(林丽艳)^1,2, Yue Jiang(姜悦)¹, Dan Ma(马丹)¹, Yuting Chen(陈雨婷)¹, and Xiaohong Yan(颜晓红)^1,3,4

1 College of Electronic and Optical Engineering, Nanjing University of Posts and Telecommunications, Nanjing 210046, China;
2 College of Natural Science, Nanjing University of Posts and Telecommunications, Nanjing 210046, China;
3 Key Laboratory of Radio Frequency and Micro-Nano Electronics of Jiangsu Province, Nanjing 210023, China;
4 College of Science, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China

收稿日期:2022-05-14 修回日期:2022-08-03 接受日期:2022-08-05 出版日期:2022-11-11 发布日期:2022-11-21
通讯作者: Yandong Guo E-mail:yandongguo@njupt.edu.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11705097, 11504178, and 11804158), the Natural Science Foundation of Jiangsu Province, China (Grant No. BK20170895), and the Funding of Jiangsu Innovation Program for Graduate Education (Grant No. KYCX21_0709).

Conformational change-modulated spin transport at single-molecule level in carbon systems

1 College of Electronic and Optical Engineering, Nanjing University of Posts and Telecommunications, Nanjing 210046, China;
2 College of Natural Science, Nanjing University of Posts and Telecommunications, Nanjing 210046, China;
3 Key Laboratory of Radio Frequency and Micro-Nano Electronics of Jiangsu Province, Nanjing 210023, China;
4 College of Science, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China

Received:2022-05-14 Revised:2022-08-03 Accepted:2022-08-05 Online:2022-11-11 Published:2022-11-21
Contact: Yandong Guo E-mail:yandongguo@njupt.edu.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11705097, 11504178, and 11804158), the Natural Science Foundation of Jiangsu Province, China (Grant No. BK20170895), and the Funding of Jiangsu Innovation Program for Graduate Education (Grant No. KYCX21_0709).

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摘要/Abstract

摘要： Controlling the spin transport at the single-molecule level, especially without the use of ferromagnetic contacts, becomes a focus of research in spintronics. Inspired by the progress on atomic-level molecular synthesis, through first-principles calculations, we investigate the spin-dependent electronic transport of graphene nanoflakes with side-bonded functional groups, contacted by atomic carbon chain electrodes. It is found that, by rotating the functional group, the spin polarization of the transmission at the Fermi level could be switched between completely polarized and unpolarized states. Moreover, the transition between spin-up and spin-down polarized states can also be achieved, operating as a dual-spin filter. Further analysis shows that, it is the spin-dependent shift of density of states, caused by the rotation, that triggers the shift of transmission peaks, and then results in the variation of spin polarization. Such a feature is found to be robust to the length of the nanoflake and the electrode material, showing great application potential. Those findings may throw light on the development of spintronic devices.

关键词: spin-dependent electronic transport, molecular device, dual-spin filter, density-functional theory

Abstract: Controlling the spin transport at the single-molecule level, especially without the use of ferromagnetic contacts, becomes a focus of research in spintronics. Inspired by the progress on atomic-level molecular synthesis, through first-principles calculations, we investigate the spin-dependent electronic transport of graphene nanoflakes with side-bonded functional groups, contacted by atomic carbon chain electrodes. It is found that, by rotating the functional group, the spin polarization of the transmission at the Fermi level could be switched between completely polarized and unpolarized states. Moreover, the transition between spin-up and spin-down polarized states can also be achieved, operating as a dual-spin filter. Further analysis shows that, it is the spin-dependent shift of density of states, caused by the rotation, that triggers the shift of transmission peaks, and then results in the variation of spin polarization. Such a feature is found to be robust to the length of the nanoflake and the electrode material, showing great application potential. Those findings may throw light on the development of spintronic devices.

Key words: spin-dependent electronic transport, molecular device, dual-spin filter, density-functional theory

中图分类号: (Spin polarized transport)

72.25.-b

85.75.-d (Magnetoelectronics; spintronics: devices exploiting spin polarized transport or integrated magnetic fields) 73.23.Ad (Ballistic transport)

Yandong Guo(郭艳东), Xue Zhao(赵雪), Hongru Zhao(赵鸿儒), Li Yang(杨丽), Liyan Lin(林丽艳), Yue Jiang(姜悦), Dan Ma(马丹), Yuting Chen(陈雨婷), and Xiaohong Yan(颜晓红). Conformational change-modulated spin transport at single-molecule level in carbon systems[J]. 中国物理B, 2022, 31(12): 127201-127201.

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Conformational change-modulated spin transport at single-molecule level in carbon systems

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