Spin filter effect of manganese phthalocyanine contacted with   single-walled carbon nanotube electrodes

doi:10.1063/1.3302258

CORC > 北京大学 > 信息科学技术学院

	Spin filter effect of manganese phthalocyanine contacted with single-walled carbon nanotube electrodes
	Shen, Xin ; Sun, Lili ; Benassi, Enrico ; Shen, Ziyong ; Zhao, Xingyu ; Sanvito, Stefano ; Hou, Shimin
刊名	journal of chemical physics
	2010
关键词	METAL PHTHALOCYANINES MOLECULAR SPINTRONICS TRANSPORT DEVICES TRANSISTORS CHEMISTRY EXCHANGE SURFACE
DOI	10.1063/1.3302258
英文摘要	We present a theoretical study of the spin transport through a manganese phthalocyanine (MnPc) molecule sandwiched between two semi-infinite armchair single-walled carbon nanotube (SWCNT) electrodes. Ab initio modeling is performed by combing the nonequilibrium Green's function formalism with spin density functional theory. Our calculations show that MnPc not only can act as a nearly perfect spin filter, but also has a large transmission around the Fermi level, which is dominated by the highest occupied molecule orbital (HOMO). The HOMO of MnPc is found to be a singly filled doubly degenerate molecular orbital, where the electrodes' Fermi level can easily pin. The spin filter effect of MnPc is very robust regardless of whether the open ends of the SWCNT electrodes are terminated by hydrogen, fluorine, or carbon dimers, demonstrating its promising applications in future molecular spintronics. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3302258]; http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000274319900032&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=8e1609b174ce4e31116a60747a720701 ; Physics, Atomic, Molecular & Chemical; SCI(E); EI; PubMed; 29; ARTICLE; 5; 054703; 132
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/151866]
专题	信息科学技术学院
推荐引用方式 GB/T 7714	Shen, Xin,Sun, Lili,Benassi, Enrico,et al. Spin filter effect of manganese phthalocyanine contacted with single-walled carbon nanotube electrodes[J]. journal of chemical physics,2010.
APA	Shen, Xin.,Sun, Lili.,Benassi, Enrico.,Shen, Ziyong.,Zhao, Xingyu.,...&Hou, Shimin.(2010).Spin filter effect of manganese phthalocyanine contacted with single-walled carbon nanotube electrodes.journal of chemical physics.
MLA	Shen, Xin,et al."Spin filter effect of manganese phthalocyanine contacted with single-walled carbon nanotube electrodes".journal of chemical physics (2010).