• 文献标题:   Tensile strain induced half-metallicity in graphene-like carbon nitride
  • 文献类型:   Article
  • 作  者:   LI HS, HU HQ, BAO CJ, HUA J, ZHOU HC, LIU XB, LIU XD, ZHAO MW
  • 作者关键词:  
  • 出版物名称:   PHYSICAL CHEMISTRY CHEMICAL PHYSICS
  • ISSN:   1463-9076 EI 1463-9084
  • 通讯作者地址:   Shandong Univ
  • 被引频次:   17
  • DOI:   10.1039/c4cp05560h
  • 出版年:   2015

▎ 摘  要

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.