High-temperature superconductivity in heavily N- or B-doped graphene

Jian Zhou, Qiang Sun, Qian Wang, Puru Jena
2015 Physical Review B  
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
more » ... 50% N-(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-(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 Ndoped graphene is even higher than that of pure graphene.
doi:10.1103/physrevb.92.064505 fatcat:hfmy6fbzbnaizhnsvvhswzox4e