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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
Source PublicationJournal of Chemical Physics
ISSN0021-9606
Volume139Issue:2
AbstractThe 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.
description.department[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
KeywordPhase Electron-diffraction Open Sandwich Clusters Lanthanide-cyclooctatetraene Ionization Energies Complexes Gas 1st-principles Distributions Simulation Mechanism
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Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/71750
Collection中国科学院金属研究所
Recommended Citation
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).
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