• 文献标题:   A new Dirac cone material: a graphene- like Be3C2 monolayer
  • 文献类型:   Article
  • 作  者:   WANG B, YUAN SJ, LI YH, SHI L, WANG JL
  • 作者关键词:  
  • 出版物名称:   NANOSCALE
  • ISSN:   2040-3364 EI 2040-3372
  • 通讯作者地址:   Southeast Univ
  • 被引频次:   33
  • DOI:   10.1039/c7nr00455a
  • 出版年:   2017

▎ 摘  要

Two-dimensional (2D) materials with Dirac cones exhibit rich physics and many intriguing properties, but the search for new 2D Dirac materials is still a current hotspot. Using the global particle-swarm optimization method and density functional theory, we predict a new stable graphene-like 2D Dirac material: a Be3C2 monolayer with a hexagonal honeycomb structure. The Dirac point occurs exactly at the Fermi level and arises from the merging of the hybridized p(z) bands of Be and C atoms. Most interestingly, this monolayer exhibits a high Fermi velocity in the same order of graphene. Moreover, the Dirac cone is very robust and retains even included spin-orbit coupling or external strain. These outstanding properties render the Be3C2 monolayer a promising 2D material for special electronics applications.