• 文献标题:   Spin-orbit coupling prevents spin channel suppression of transition metal atoms on armchair graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   ROJAS WY, VILLEGAS CEP, ROCHA AR
  • 作者关键词:  
  • 出版物名称:   PHYSICAL CHEMISTRY CHEMICAL PHYSICS
  • ISSN:   1463-9076 EI 1463-9084
  • 通讯作者地址:   Univ Privada Norte
  • 被引频次:   2
  • DOI:   10.1039/c8cp05337e
  • 出版年:   2018

▎ 摘  要

We investigate the spin-dependent electronic and transport properties of armchair graphene nanoribbons including spin-orbit coupling due to the presence of nickel and iridium adatoms by using ab initio calculations within the spin-polarized density functional theory and non-equilibrium Green's function formalism. Our results indicate that the intensity of the spin-flip precession is a direct consequence of the relaxed adsorption sites of the adatoms. We point out that d orbitals of Ni and Ir result in strong dependence on the spin-conserved and spin-flip transmission probabilities. In particular, we show that the presence of spin-orbit coupling can lead to an enhancement of the transmission probabilities especially around resonances arising due to weak coupling with specific orbitals.