Auxetic Tetrahex Carbon with Ultrahigh Strength and a Direct Band Gap

  title={Auxetic Tetrahex Carbon with Ultrahigh Strength and a Direct Band Gap},
  author={Qun Wei and Guang Yang and Xihong Peng},
  journal={Physical Review Applied},
Tetrahex-carbon is a recently predicted two dimensional (2D) carbon allotrope which is composed of tetragonal and hexagonal rings. Unlike flat graphene, this new 2D carbon structure is buckled, possesses a direct band gap ~ 2.6 eV and high carrier mobility with anisotropic feature. In this work, we employ first-principles density-functional theory calculations to explore mechanical properties of tetrahex-C under uniaxial tensile strain. We find that tetrahex-C demonstrates ultrahigh ideal… 

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