Endohedral Fullerene Fe@C28 Adsorbed on Au(111) Surface as a High-Efficiency Spin Filter: A Theoretical Study

被引：4

作者：

Xu, Ke ^{[1
]}

Yang, Tie ^{[2
]}

Feng, Yu ^{[3
]}

Ruan, Xin ^{[3
]}

Liu, Zhenyan ^{[3
]}

Liang, Guijie ^{[1
]}

Wang, Xiaotian ^{[2
]}

机构：

[1] Hubei Univ Arts & Sci, Hubei Key Lab Low Dimens Optoelect Mat & Devices, Xiangyang 441053, Peoples R China

[2] Southwest Univ, Sch Phys Sci & Technol, Chongqing 400715, Peoples R China

[3] Jiangsu Normal Univ, Sch Phys & Elect Engn, Xuzhou 221116, Jiangsu, Peoples R China

来源：

NANOMATERIALS | 2019年 / 9卷 / 08期

关键词：

molecular spintronics; C-28 endohedral fullerene; spin transport properties; spin filter; TRANSPORT; CONFIGURATIONS; B-40; C28;

D O I：

10.3390/nano9081068

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We present a theoretical study on the adsorption and spin transport properties of magnetic Fe@C-28 using Ab initio calculations based on spin density functional theory and non-equilibrium Green's function techniques. Fe@C-28 tends to adsorb on the bridge sites in the manner of C-C bonds, and the spin-resolved transmission spectra of Fe@C-28 molecular junctions exhibit robust transport spin polarization (TSP). Under small bias voltage, the transport properties of Fe@C-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 Fe@C-28 with a large magnetic moment has potential applications in molecular spintronics.

引用

页数：10

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