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

By Bo Peng, Hao Zhang, Hezhu Shao, Yuanfeng Xu, Rongjun Zhang, Heyuan Zhu. 2016

317 citations recorded by the source corpus.

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 based on the phonon properties.

Subfields: Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/e30d47b08e16d50a4432572bfcc422ae171ccd00

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In Materials Chemistry

1. Yuanfeng Xu
2. Hao Zhang
3. Bo Peng
4. Hezhu Shao
5. Heyuan Zhu

Citations in the corpus

• Review of borophene and its potential applications (2019, background): “Since then, numerous experimental and theoretical studies of the mechanical properties, electronic structure, lattice thermal conductivity, superconducting properties, optical properties, atomic adsorption, and surface reactivity of borophene have been reported [29-50].”
• Stability and strength of atomically thin borophene from first principles calculations (2016, background): “long-wavelength limit along –X direction, showing its dynamical instability for long-wavelength acoustic vibrations [16,37].”