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Negative differential resistance and spin polarization of metal-C6H6 Multidecker complexes
Zhu Sicong 1,Yao Wei 2,Gao Guoying 2,Ni Yun 2,Peng Li 2,Yao Kailun 2 *
1.School of Physics and Wuhan National High Magnetic Field Center, Huazhong University of Science and Technology, Wuhan 430074
2.School of Physics and Wuhan National High Magnetic Field Center, Huazhong University of Science and Technology, Wuhan 430074, China
*Correspondence author
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Funding: National Natural Science Fundation of China under Grants（No.No. 11074081 and No. 11004066）, Research Fundation for the Doctoral Program of Higher Education of China under Grants（No.No. 20090142110063 and No. 20100142120080）
Opened online:28 December 2012
Accepted by: none
Citation: Zhu Sicong,Yao Wei,Gao Guoying.Negative differential resistance and spin polarization of metal-C6H6 Multidecker complexes[OL]. [28 December 2012] http://en.paper.edu.cn/en_releasepaper/content/4507777
 
 
We investigate the electronic properties of one-dimensional metal-C6H6 multidecker complexes：Chromium(Cr)-Benzene(Bz), Chromium(Cr)-Benzene(Bz)-Iron(Fe) wires and clusters CrnBz2(n=1,2,3) and CrBz2Fem(m=1,2) by applying nonequilibrium Green's functions in combination with the density-functional theory,. We predict that the ground state of the cluster is 100% spin-polarized. Its density of states is metallic at Fermi energy for the spin-up electrons and shows a semiconductor gap for the spin-down electrons(half-metallic). We have found from 92%-97% spin polarization of the electron transmission of the five sandwich molecular junctions which are constructed by the multilayer metal-benzene organometallic clusters CrnBz2(n=1,2,3) and CrBz2Fem(m=1,2) coupled to gold electrodes , and these clusters will work as nearly perfect spin-filters by the electron transport calculations. The current increased with the cluster length depending on the bais and spin-up current-voltage characteristic of three sandwich molecular junctions (Bz2Cr, BzCrBzFe, Bz2Cr3) indicates robust negative differential resistance (NDR) behavior that is understood in terms of the evolution of the transmission spectrum with applied bias.
Keywords:spin-filters; nonequilibrium Green's functions; negative differential resistance
 
 
 

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