• 文献标题:   Electronic properties of Li-doped zigzag graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   NARIN P, KUTLU E, SARIKAVAKLISESIVDIN B, LISESIVDIN SB, OZBAY E
  • 作者关键词:   nanoribbon, doping, electronic propertie, dft
  • 出版物名称:   PHYSICA ELOWDIMENSIONAL SYSTEMS NANOSTRUCTURES
  • ISSN:   1386-9477 EI 1873-1759
  • 通讯作者地址:   Gazi Univ
  • 被引频次:   8
  • DOI:   10.1016/j.physe.2016.06.018
  • 出版年:   2016

▎ 摘  要

Zigzag graphene nanoribbons (ZGNRs) are known to exhibit metallic behavior. Depending on structural properties such as edge status, doping and width of nanoribbons, the electronic properties of these structures may vary. In this study, changes in electronic properties of crystal by doping Lithium (Li) atom to ZGNR structure are analyzed. In spin polarized calculations are made using Density Functional Theory (DFT) with generalized gradient approximation (GGA) as exchange correlation. As a result of calculations, it has been determined that Li atom affects electronic properties of ZGNR structure significantly. It is observed that ZGNR structure exhibiting metallic behavior in pure state shows half-metal and semiconductor behavior with Li atom. (C) 2016 Elsevier B.V. All rights reserved.