• 文献标题:   Electronic and Magnetic Properties of Hybrid Graphene Nanoribbons with Zigzag-Armchair Heterojunctions
  • 文献类型:   Article
  • 作  者:   LI YF, ZHOU Z, SHEN PW, CHEN ZF
  • 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:   Nankai Univ
  • 被引频次:   17
  • DOI:   10.1021/jp207788t
  • 出版年:   2012

▎ 摘  要

Inspired by the experimentally observed zigzag-armchair graphene nanoribbon heterojunctions, we constructed a new class of infinitely long hybrid graphene nanoribbons (HGNRs), and systematically investigated their electronic and magnetic properties by means of spin-polarized first-principles computations. HGNRs are converted from nonmagnetic semiconductors to magnetic semiconductors by increasing the length of zigzag segments. In particular, half metallicity can be achieved in HGNRs under external transverse electric fields. These results suggest that the introduction of armchair "impurity" will not affect the desired electronic and magnetic properties of zigzag graphene nanoribbons.