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Spin Polarization at Organic-Ferromagnetic Interface: E ect of Contact Con guration
Ying Li,Guang-ping Zhang,Zhen Xie,Zhao Zhang,Jun-feng Ren,Chuan-kui Wang,Gui-chao Hu
Author NameAffiliationE-mail
Ying Li   
Guang-ping Zhang 
School of Physics and Electronics
, Shandong Normal University, Jinan 250014, China
 
 
Zhen Xie 
School of Physics and Electronics
, Shandong Normal University, Jinan 250014, China
 
 
Zhao Zhang 
School of Physics and Electronics
, Shandong Normal University, Jinan 250014, China
 
 
Jun-feng Ren 
School of Physics and Electronics
, Shandong Normal University, Jinan 250014, China
 
 
Chuan-kui Wang 
School of Physics and Electronics
, Shandong Normal University, Jinan 250014, China
 
 
Gui-chao Hu 
School of Physics and Electronics
, Shandong Normal University, Jinan 250014, China
 
hgc@sdnu.edu.cn 
Abstract:
Based on ab initio theory, the interfacial spin polarization of a benzene-dithiolate molecule vertically adsorbed on a nickel surface is investigated by adopting di erent microscopic con-tact con gurations. The results demonstrate a strong dependence of the interfacial spin polarization on the contact con guration, where the sign of spin polarization may vary from positive to negative with the change of contact con guration. By analyzing the projected density of states, an interfacial orbital hybridization between the 3d orbital of the nickel atom and the sp3 hybridized orbital of the sulfur atom is observed. We also simulated the interfacial adsorption in mechanically controllable break junction experiments. The magne-toresistance obtained from Julliere model is about 27% based on the calculated interfacial spin polarization, which is consistent with experimental measurement.
Key words:  Organic spintronics  Spin polarization  Interface  Contact con guration
FundProject:This work was supported by the National Natu-ral Science Foundation of China (No.11374195 and No.11405098), the Natural Science Foundation of Shandong Province (No.ZR2014AM017), the Taishan Scholar Project of Shandong Province, and the Excel-lent Young Scholars Research Fund of Shandong Nor-mal University.
有机铁磁界面自旋极化接触构型效应
李营,张广平,谢震,张朝,任俊峰,王传奎,胡贵超
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DOI:10.1063/1674-0068/29/cjcp1511230
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