• 文献标题:   First-principles study on the electronic and magnetic properties of armchair graphane/graphene heterostructure nanoribbons
  • 文献类型:   Article
  • 作  者:   ZHANG WX, HE C, LI T, GONG SB, ZHAO L, TAO JY
  • 作者关键词:   graphene nanoribbon, electronic propertie, firstprinciple
  • 出版物名称:   SOLID STATE COMMUNICATIONS
  • ISSN:   0038-1098 EI 1879-2766
  • 通讯作者地址:   Changan Univ
  • 被引频次:   10
  • DOI:   10.1016/j.ssc.2015.03.014
  • 出版年:   2015

▎ 摘  要

In this paper, the electronic and magnetic properties of electronic and magnetic properties of armchair graphane/graphene heterostructure nanoribbons (AGA/GNRs) have been systematically investigated by first-principles calculations based on density functional theory. The calculated results indicate that 13-armchair graphane nanoribbon (13-AGANR), 13-armchair graphene nanoribbons (13-AGNR) and hybrid armchair graphane/graphene nanoribbons (AGA(13-x)/G(x)NRs) are all direct semiconductors (13,13-x and x are denoted as the nanoribbons' widths). The band structures near the Fermi level of AGA(13-x)/G(x)NRs are mainly determined by the graphene section and the atomic charge transfers in the interface of AGA(13-x) /G(x)NRs are stronger. AGA(7)/G(6)NR with DB defects at AGANR edge obviously affect the magnetic properties. These diverse and tunable electronic and magnetic properties can be a theoretical guidance for the design of novel nanoelectronic devices. (C) 2015 Elsevier Ltd. All rights reserved.