• 文献标题:   A Ferromagnetic Pure Carbon Structure Composed of Graphene and Nanotubes: First-Principles Calculations
  • 文献类型:   Article
  • 作  者:   BATISTA RJC, CARARA SS, MANHABOSCO TM, CHACHAM H
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICAL CHEMISTRY C
  • ISSN:   1932-7447 EI 1932-7455
  • 通讯作者地址:   Univ Fed Ouro Preto
  • 被引频次:   3
  • DOI:   10.1021/jp411676f
  • 出版年:   2014

▎ 摘  要

A hybrid structure that presents phases of three extended allotropes of carbon, nanotube, graphene, and diamond, is proposed in this work. According to our first-principles calculations, such structure can be made energetically stable through the application of pressures of the order of 100 kbar to alternate graphene nanotube layers, which were recently synthesized in large-area films. The existence of sp(3) dangling bonds in the hybrid structure gives rise to an exceptionally large density of states near the Fermi level, leading to a ferromagnetic ground state.