Negative differential resistance and spin polarization of metal-C6H6 multidecker complexes

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	Negative differential resistance and spin polarization of metal-C6H6 multidecker complexes
	S. C. Zhu; K. L. Yao; G. Y. Gao; W. Yao; Y. Ni; L. Peng
	2013
发表期刊	Journal of Applied Physics
ISSN	0021-8979
卷号	113 期号:11
摘要	We investigate the electronic properties of one-dimensional metal-C6H6 multidecker complexes: chromium(Cr)-benzene(Bz), benzene(Bz)-chromium(Cr)-benzene(Bz)-iron(Fe) wires and Cr(n)Bz(2) (n = 1, 2, 3) and CrBz(2)Fe(m) (m = 1, 2) clusters by applying nonequilibrium Green's functions combined with the density-functional theory. We predict that the ground state of the FeBzCrBzFe cluster is 100% spin-polarized. The density of states shows metallic for the spin-up electrons, while a semiconductor gap merges for the spin-down electrons (half-metallic). It is found that there is 92%-97% spin polarization of the electron transmission for the five sandwich molecular junctions constructed by the multilayer metal-benzene organometallic Cr(n)Bz(2) (n = 1, 2, 3) and CrBz(2)Fe(m) (m = 1, 2) clusters, which coupled to gold electrodes. In deed, these clusters will perform as nearly perfect spin-filters via the electron transport calculations. The current increases with the cluster length and depends on the bias and spin-up current-voltage characteristics for three kinds of sandwich molecular junctions (Bz(2)Cr, BzCrBzFe, and Bz(2)Cr(3)). It also shows robust negative differential resistance behavior, which is closely related with the evolution of the transmission spectrum under applied bias. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4795283]
部门归属	[zhu, si-cong ; yao, kai-lun ; gao, guo-ying ; yao, wei ; ni, yun ; peng, li] huazhong univ sci & technol, sch phys, wuhan 430074, peoples r china. [zhu, si-cong ; yao, kai-lun ; gao, guo-ying ; yao, wei ; ni, yun ; peng, li] huazhong univ sci & technol, wuhan natl high magnet field ctr, wuhan 430074, peoples r china. [yao, kai-lun] chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china. ; yao, kl (reprint author), huazhong univ sci & technol, sch phys, wuhan 430074, peoples r china. ; klyao@mail.hust.edu.cn
关键词	Benzene Sandwich Clusters Spintronics
URL	查看原文
语种	英语
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/71753
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	S. C. Zhu,K. L. Yao,G. Y. Gao,et al. Negative differential resistance and spin polarization of metal-C6H6 multidecker complexes[J]. Journal of Applied Physics,2013,113(11).
APA	S. C. Zhu,K. L. Yao,G. Y. Gao,W. Yao,Y. Ni,&L. Peng.(2013).Negative differential resistance and spin polarization of metal-C6H6 multidecker complexes.Journal of Applied Physics,113(11).
MLA	S. C. Zhu,et al."Negative differential resistance and spin polarization of metal-C6H6 multidecker complexes".Journal of Applied Physics 113.11(2013).