Spin transport properties of single metallocene molecules attached to single-walled carbon nanotubes via nickel adatoms | |
Wei, Peng ; Sun, Lili ; Benassi, Enrico ; Shen, Ziyong ; Sanvito, Stefano ; Hou, Shimin | |
刊名 | journal of chemical physics
![]() |
2011 | |
关键词 | ab initio calculations adsorption binding energy carbon nanotubes cobalt compounds density functional theory electronic density of states Fermi level Green&apos iron compounds magnetoelectronics molecular magnetism nickel compounds organometallic compounds SCF calculations spin polarised transport surface states ELECTRONIC DEVICES SPINTRONICS TRANSISTORS s function methods |
DOI | 10.1063/1.3603446 |
英文摘要 | The spin-dependent transport properties of single ferrocene, cobaltocene, and nickelocene molecules attached to the sidewall of a (4,4) armchair single-walled carbon nanotube via a Ni adatom are investigated by using a self-consistent ab initio approach that combines the non-equilibrium Green's function formalism with the spin density functional theory. Our calculations show that the Ni adatom not only binds strongly to the sidewall of the nanotube, but also maintains the spin degeneracy and affects little the transmission around the Fermi level. When the Ni adatom further binds to a metallocene molecule, its density of states is modulated by that of the molecule and electron scattering takes place in the nanotube. In particular, we find that for both cobaltocene and nickelocene the transport across the nanotube becomes spin-polarized. This demonstrates that metallocene molecules and carbon nanotubes can become a promising materials platform for applications in molecular spintronics. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3603446]; http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000292331900052&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=8e1609b174ce4e31116a60747a720701 ; Physics, Atomic, Molecular & Chemical; SCI(E); EI; PubMed; 8; ARTICLE; 24; 244704; 134 |
语种 | 英语 |
内容类型 | 期刊论文 |
源URL | [http://ir.pku.edu.cn/handle/20.500.11897/151835] ![]() |
专题 | 信息科学技术学院 |
推荐引用方式 GB/T 7714 | Wei, Peng,Sun, Lili,Benassi, Enrico,et al. Spin transport properties of single metallocene molecules attached to single-walled carbon nanotubes via nickel adatoms[J]. journal of chemical physics,2011. |
APA | Wei, Peng,Sun, Lili,Benassi, Enrico,Shen, Ziyong,Sanvito, Stefano,&Hou, Shimin.(2011).Spin transport properties of single metallocene molecules attached to single-walled carbon nanotubes via nickel adatoms.journal of chemical physics. |
MLA | Wei, Peng,et al."Spin transport properties of single metallocene molecules attached to single-walled carbon nanotubes via nickel adatoms".journal of chemical physics (2011). |
个性服务 |
查看访问统计 |
相关权益政策 |
暂无数据 |
收藏/分享 |
除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。
修改评论