• 文献标题:   Electronic structure of atomic Ti chains on semiconducting graphene nanoribbons: A first-principles study
  • 文献类型:   Article
  • 作  者:   KAN EJ, XIANG HJ, YANG JL, HOU JG
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF CHEMICAL PHYSICS
  • ISSN:   0021-9606 EI 1089-7690
  • 通讯作者地址:   Univ Sci Technol China
  • 被引频次:   28
  • DOI:   10.1063/1.2789424
  • 出版年:   2007

▎ 摘  要

The electronic and magnetic properties of one-dimensional titanium chains adsorbed on semiconducting armchair graphene nanoribbons (GNRs) are studied using the density functional theory. The results show that the strong hybridization between the titanium chain and the GNR gives rise to ferromagnetism and metallicity of the adsorption system. The electronic structure of the adsorption system is found to depend strongly on the width of the GNR. The adsorption system may offer half-metallic ferromagnetism when the width of GNR is less than 2.1 nm, implying a new and promising way to realize GNR based spintronics. (C) 2007 American Institute of Physics.