A first principles study of novel one-dimensional organic half-metal vanadium-cyclooctatetraene wire

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	A first principles study of novel one-dimensional organic half-metal vanadium-cyclooctatetraene wire
	S. C. Zhu; H. H. Fu; G. Y. Gao; S. L. Wang; Y. Ni; K. L. Yao
	2013
发表期刊	Journal of Chemical Physics
ISSN	0021-9606
卷号	139 期号:2
摘要	The structural, electronic, and magnetic properties of one-dimensional vanadium-cyclooctatetraene [(V-COT)](infinity) wire and sandwich clusters are investigated by means of density functional theory. It is found that the (V-COT)(infinity) SMW is half-metallic. Through the spin transportation calculations, the system for V-COT clusters coupled to gold electrodes performs nearly perfect spin filters. In addition, the I-V curve shows obviously negative differential resistance effects. These results suggest the potential applications of (V-COT)(infinity) in spintronics. (C) 2013 AIP Publishing LLC.
部门归属	[zhu, sicong ; fu, huahua ; gao, guoying ; wang, shuling ; ni, yun ; yao, kailun] huazhong univ sci & technol, sch phys, wuhan 430074, peoples r china. [zhu, sicong ; fu, huahua ; gao, guoying ; wang, shuling ; ni, yun ; yao, kailun] huazhong univ sci & technol, wuhan natl high magnet field ctr, wuhan 430074, peoples r china. [yao, kailun] 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	Phase Electron-diffraction Open Sandwich Clusters Lanthanide-cyclooctatetraene Ionization Energies Complexes Gas 1st-principles Distributions Simulation Mechanism
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/321006/71750
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	S. C. Zhu,H. H. Fu,G. Y. Gao,et al. A first principles study of novel one-dimensional organic half-metal vanadium-cyclooctatetraene wire[J]. Journal of Chemical Physics,2013,139(2).
APA	S. C. Zhu,H. H. Fu,G. Y. Gao,S. L. Wang,Y. Ni,&K. L. Yao.(2013).A first principles study of novel one-dimensional organic half-metal vanadium-cyclooctatetraene wire.Journal of Chemical Physics,139(2).
MLA	S. C. Zhu,et al."A first principles study of novel one-dimensional organic half-metal vanadium-cyclooctatetraene wire".Journal of Chemical Physics 139.2(2013).