• 文献标题:   BPC2: Graphene-like ternary semi-metal material
  • 文献类型:   Article
  • 作  者:   BALCI E, AKKUS UO, BERBER S
  • 作者关键词:   2d material, graphenelike, dirac semimetal, density functional theory
  • 出版物名称:   PHYSICA ELOWDIMENSIONAL SYSTEMS NANOSTRUCTURES
  • ISSN:   1386-9477 EI 1873-1759
  • 通讯作者地址:   Gebze Tech Univ
  • 被引频次:   0
  • DOI:   10.1016/j.physe.2018.11.001
  • 出版年:   2019

▎ 摘  要

We predict a graphene-like BPC2 monolayer using density functional theory (DFT) calculations. Three types of possible atom arrangements are constructed starting from BP monolayer: types I, II, and III. We find BPC2 type I to be semi-metallic while the other atom arrangements have semiconductor character. According to our calculated phonon spectrum results, BPC2 type I is stable while the others are dynamically not stable. Although all configurations are flat with no buckling, there is a unique stable structure for BPC2 monolayer. We find that this stable BPC2 monolayer is a new graphene-like Dirac semi-metal.