Tensile strain induced half-metallicity in graphene-like carbon nitride
Literature Information
Haiquan Hu, Chunjiang Bao, Juan Hua, Hongcai Zhou, Xiaobiao Liu, Xiangdong Liu, Mingwen Zhao
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.
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Physical Chemistry Chemical Physics

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