A Ferromagnetic Pure Carbon Structure Composed of Graphene and Nanotubes: First-Principles Calculations

作者:Batista Ronaldo J C*; Carara Sabrina S; Manhabosco Taise M; Chacham Helio
来源:Journal of Physical Chemistry C, 2014, 118(15): 8143-8147.
DOI:10.1021/jp411676f

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.

  • 出版日期2014-4-17