Tensile strain induced half-metallicity in graphene-like carbon nitride. Academic Article uri icon


  • Polymeric graphitic carbon nitride materials exhibit exotic properties superior to graphene which are promising for applications in energy conversion, environment protection, and spintronics devices. We propose a two-dimensional (2D) framework of graphene-like carbon nitride composing of C9N7 units connected by nitrogen atoms. From first-principles, we demonstrate that this 2D carbon nitride has a spin-polarized ground state and exhibits metallic electronic properties, in contrast to commonly studied graphitic carbon nitrides which are nonmagnetic semiconductors. Additionally, half-metallicity can be achieved in this framework by applying tensile strain. The realization will be beneficial for spintronics as a candidate material for a spin-current generator. More importantly, this provides a feasible way to realize half-metallicity in experiments.

published proceedings

  • Phys Chem Chem Phys

author list (cited authors)

  • Li, H., Hu, H., Bao, C., Hua, J., Zhou, H., Liu, X., Liu, X., & Zhao, M.

citation count

  • 30

complete list of authors

  • Li, Hengshuai||Hu, Haiquan||Bao, Chunjiang||Hua, Juan||Zhou, Hongcai||Liu, Xiaobiao||Liu, Xiangdong||Zhao, Mingwen

publication date

  • February 2015