• 文献标题:   Intrinsic spin dependent and ferromagnetic stability on edge saturated zigzag graphene-like carbon-nitride nanoribbons
  • 文献类型:   Article
  • 作  者:   ZHANG S, LI C, LI SF, SUN Q, GUO ZX, JIA Y
  • 作者关键词:  
  • 出版物名称:   APPLIED PHYSICS LETTERS
  • ISSN:   0003-6951 EI 1077-3118
  • 通讯作者地址:   Zhengzhou Univ
  • 被引频次:   9
  • DOI:   10.1063/1.4875022
  • 出版年:   2014

▎ 摘  要

Using first-principles calculations, we have investigated the electronic and magnetic properties of zigzag graphene-like carbon-nitride nanoribbons (Zg-CNNRs) with mono-and dihydrogen-terminated edges asymmetrically. The results demonstrate that spin-down channel completely dominates the states adjacent Fermi level, which is an intrinsic feature and can be accounted for the valence band maximum derived from the nonbonding N-(p(x),p(y)) orbitals, instead of the bonding C/N-p(z) pi state. Importantly, ferromagnetic ordering is found to be preferred and the magnetism is entirely localized on the N sites of saturated edge due to its stronger electronegativity. Additionally, various edge saturations are further proposed to try to enhance the ferromagnetic ordering and to manipulate the magnetism distributions of Zg-CNNRs. (C) 2014 AIP Publishing LLC.