The electronic, optical, and thermodynamic properties of borophene from first-principles calculations

@article{Peng2016TheEO,
  title={The electronic, optical, and thermodynamic properties of borophene from first-principles calculations},
  author={Bo Peng and Hao Zhang and Hezhu Shao and Yuanfeng Xu and Rongjun Zhang and Heyuan Zhu},
  journal={Journal of Materials Chemistry C},
  year={2016},
  volume={4},
  pages={3592-3598}
}
Borophene (a two-dimensional boron sheet) is a new type of two-dimensional material, which was recently grown successfully on single crystal Ag substrates. In this paper, we investigate the electronic structure and bonding characteristics of borophene by first-principles calculations. The band structure of borophene shows highly anisotropic metallic behaviour. The obtained optical properties of borophene exhibit strong anisotropy as well. Finally, the thermodynamic properties are investigated… 

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