• 文献标题:   Direct band gap opening in graphene by BN doping: Ab initio calculations
  • 文献类型:   Article
  • 作  者:   SHINDE PP, KUMAR V
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   1098-0121
  • 通讯作者地址:   Dr Vijay Kumar Fdn
  • 被引频次:   117
  • DOI:   10.1103/PhysRevB.84.125401
  • 出版年:   2011

▎ 摘  要

Ab-initio calculations on graphene doped with boron nitride (BN) nanoribbons and patches show opening of a band gap in all cases. The smallest width of graphene in these hybrid layers controls the band gap that varies slowly around similar to 0.75 eV when the width of graphene region is in the range of 2 to 5 zigzag chains. Most interestingly the band gap is direct in all the cases we have studied and nearly the same for different doping if the smallest graphene width is the same. These results show the possibility of ultrathin hybrid semiconductor graphene with band gap similar to silicon and an additional attractive feature that it is direct.