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Open AccessArticle

Endohedral Fullerene [email protected]28 Adsorbed on Au(111) Surface as a High-Efficiency Spin Filter: A Theoretical Study

by Ke Xu 1,†, Tie Yang 2,†, Yu Feng 3, Xin Ruan 3, Zhenyan Liu 3, Guijie Liang 1,* and Xiaotian Wang 2,*
1
Hubei Key Laboratory of Low Dimensional Optoelectronic Materials and Devices, Hubei University of Arts and Science, Xiangyang 441053, China
2
School of Physical Science and Technology, Southwest University, Chongqing 400715, China
3
School of Physics and Electronic Engineering, Jiangsu Normal University, Xuzhou 221116, China
*
Authors to whom correspondence should be addressed.
These authors contributed equally to this work.
Nanomaterials 2019, 9(8), 1068; https://doi.org/10.3390/nano9081068
Received: 24 June 2019 / Revised: 19 July 2019 / Accepted: 23 July 2019 / Published: 25 July 2019
We present a theoretical study on the adsorption and spin transport properties of magnetic [email protected]28 using Ab initio calculations based on spin density functional theory and non-equilibrium Green’s function techniques. [email protected]28 tends to adsorb on the bridge sites in the manner of C–C bonds, and the spin-resolved transmission spectra of [email protected]28 molecular junctions exhibit robust transport spin polarization (TSP). Under small bias voltage, the transport properties of [email protected]28 are mainly determined by the spin-down channel and exhibit a large spin polarization. When compressing the right electrode, the TSP is decreased, but high spin filter efficiency (SFE) is still maintained. These theoretical results indicate that [email protected]28 with a large magnetic moment has potential applications in molecular spintronics. View Full-Text
Keywords: molecular spintronics; C28 endohedral fullerene; spin transport properties; spin filter molecular spintronics; C28 endohedral fullerene; spin transport properties; spin filter
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Xu, K.; Yang, T.; Feng, Y.; Ruan, X.; Liu, Z.; Liang, G.; Wang, X. Endohedral Fullerene [email protected]28 Adsorbed on Au(111) Surface as a High-Efficiency Spin Filter: A Theoretical Study. Nanomaterials 2019, 9, 1068.

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