• 文献标题:   Stability and local magnetic moment of bilayer graphene by intercalation: first principles study
  • 文献类型:   Article
  • 作  者:   HAN JS, KANG DD, DAI JY
  • 作者关键词:  
  • 出版物名称:   RSC ADVANCES
  • ISSN:   2046-2069
  • 通讯作者地址:   Natl Univ Def Technol
  • 被引频次:   3
  • DOI:   10.1039/c8ra03343a
  • 出版年:   2018

▎ 摘  要

The migration and magnetic properties of the bilayer graphene with intercalation compounds (BGICs) with magnetic elements are theoretically investigated based on first principles study. Firstly, we find that BGICs with transition metals (Sc-Zn) generate distinct magnetic properties. The intercalation with most of the transition metal atoms (TMAs) gives rise to large magnetic moments from 1.0 to 4.0 (B), which is valuable for the spintronics. Moreover, graphene can protect the intrinsic properties of the intercalated TMAs, which can be important for applications in catalysis. These phenomena can be explained by theory of spd hybridization definitely. Secondly, weak coupling between TMAs and the surroundings indicates the possibility of implementing quantum information processing and generating controlled entanglements. For the possibility of using these materials in ultrafast electronic transistors, spintronics, catalysis, spin qubit and important applications for the extensions of graphene, we believe that BGICs can provide a significant path to synthesize novel materials.