• 文献标题:   Tuning the indirect-direct band gap transition of SiC, GeC and SnC monolayer in a graphene-like honeycomb structure by strain engineering: a quasiparticle GW study
  • 文献类型:   Article
  • 作  者:   LU TY, LIAO XX, WANG HQ, ZHENG JC
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF MATERIALS CHEMISTRY
  • ISSN:   0959-9428
  • 通讯作者地址:   Xiamen Univ
  • 被引频次:   85
  • DOI:   10.1039/c2jm30915g
  • 出版年:   2012

▎ 摘  要

We have calculated the electronic properties of graphene and SiC, GeC and SnC monolayers in a two-dimensional graphene-like honeycomb structure under various strained conditions using first principles calculations based on density functional theory and the quasiparticle GW approximation. Our results show that the indirect-direct band gap transition of group-IV carbides can be tuned by strain, which indicates a possible new route for tailoring the electronic properties of ultrathin nanofilms through strain engineering.