• 文献标题:   High-temperature superconductivity in heavily N- or B-doped graphene
  • 文献类型:   Article
  • 作  者:   ZHOU J, SUN Q, WANG Q, JENA P
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   1098-0121 EI 1550-235X
  • 通讯作者地址:   Virginia Commonwealth Univ
  • 被引频次:   18
  • DOI:   10.1103/PhysRevB.92.064505
  • 出版年:   2015

▎ 摘  要

A two-dimensional honeycomb lattice of graphene, if heavily doped with electrons or holes, has been predicted to possess a wealth of fascinating properties including high-temperature superconductivity. Although such a material is possible with high concentration of N or B substitution, its experimental realization has been hindered due to its dynamic instability. Using density functional theory combined with a global structural search and phonon dispersion calculations, we show that an ordered 50% N- or B-doped graphene can be made energetically and dynamically stable by simultaneous doping carriers and applying biaxial tensile strain; carrier doping moves the system toward aromaticity while tensile strain reduces adverse effects associated with electrostatic interaction. Electron-phonon coupling calculations show that the N- or B-doped graphene is superconducting with critical temperature reaching above the melting point of nitrogen in the case of 50% N-doped graphene. In addition, the ideal strength of N-doped graphene is even higher than that of pure graphene.