• 文献标题:   Fantastic parity effects on the electronic and magnetic properties of zigzag graphene nanoribbons with side-attached trans-polyacetylene
  • 文献类型:   Article
  • 作  者:   LI Q, XU L, WANG LL, LUO KW, HUANG WQ, LI XF, YU YB
  • 作者关键词:  
  • 出版物名称:   EPL
  • ISSN:   0295-5075 EI 1286-4854
  • 通讯作者地址:   Hunan Univ
  • 被引频次:   2
  • DOI:   10.1209/0295-5075/111/17006
  • 出版年:   2015

▎ 摘  要

Using first-principles calculations, we investigate the electronic and magnetic properties of zigzag graphene nanoribbons (ZGNRs) with side-attached trans-polyacetylene (CnHn+1). The band gap is strongly dependent on the number n of C atoms in the polyacetylene chain: the gap of the system with even n is much bigger than that with odd n +1, whereas the parity dependence of n is gradually weakened with an increasing n. Moreover, the magnetic moment oscillation between 1 and 0 mu B, with n odd and even, also reveals a parity effect due to the electron transfer from the ZGNRs to polyacetylene chain with odd n. Copyright (C) EPLA, 2015