Spin polarization properties at the spinterface of thiophene/Fe(100): First principles calculations

被引：2

作者：

Cai, L. L. ^{[1
]}

Tian, Y. L. ^{[1
]}

Yuan, X. B. ^{[1
]}

Hu, G. C. ^{[1
]}

Ren, J. F. ^{[1
,2
]}

机构：

[1] Shandong Normal Univ, Sch Phys & Elect, Jinan 250014, Peoples R China

[2] Shandong Normal Univ, Inst Mat & Clean Energy, Jinan 250014, Peoples R China

来源：

INTERNATIONAL JOURNAL OF MODERN PHYSICS B | 2017年 / 31卷 / 11期

关键词：

Organic spintronics; spinterface; spin polarization; adsorption; ORGANIC SPINTRONICS; ADSORPTION; INJECTION;

D O I：

10.1142/S0217979217500722

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Based on density functional theory (DFT), the spin polarization properties of a thiophene molecule which is adsorbed at Fe (100) surface are discussed. A variety of horizontal and vertical adsorption configurations as well as their influences on the spin density distributions are studied in detail. The spin polarization comes from the p-d orbital coupling between the thiophene molecule and the electrode, which leads to the molecules' energy level shifting and the density of states (DOS) broadening, so the two spin states near the Fermi level are exchange split. It is also found that the interfacial spin polarization is different under different contact configurations, and the biggest one will be obtained when the S atom is directly placed above the Fe atom at the horizontal direction. On the other hand, interface spin inversion can be obtained by adjusting the adsorption position, which will be helpful to build spin sensors.

引用

页数：10

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