• 文献标题:   Efficient organometallic spin filter between single-wall carbon nanotube or graphene electrodes
  • 文献类型:   Article
  • 作  者:   KOLEINI M, PAULSSON M, BRANDBYGE M
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW LETTERS
  • ISSN:   0031-9007 EI 1079-7114
  • 通讯作者地址:   Tech Univ Denmark
  • 被引频次:   109
  • DOI:   10.1103/PhysRevLett.98.197202
  • 出版年:   2007

▎ 摘  要

We present a theoretical study of spin transport in a class of molecular systems consisting of an organometallic benzene-vanadium cluster placed in between graphene or single-wall carbon-nanotube-model contacts. Ab initio modeling is performed by combining spin density functional theory and nonequilibrium Green's function techniques. We consider weak and strong cluster-contact bonds. Depending on the bonding we find from 73% (strong bonds) up to 99% (weak bonds) spin polarization of the electron transmission, and enhanced polarization with increased cluster length.