Electronic structure and quasiparticle bandgap of silicene structures

  • Shouting Huang
    Washington University in St. Louis 1 Department of Physics, , St. Louis, Missouri 63130, USA
  • Wei Kang
    Peking University 2 HEDPS, Center for Applied Physics and Technology, and College of Engineering, , Beijing 100871, People's Republic of China
  • Li Yang
    Washington University in St. Louis 1 Department of Physics, , St. Louis, Missouri 63130, USA

抄録

<jats:p>We report first-principles results on the electronic structure of silicene. For planar and simply buckled silicenes, we confirm their zero-gap nature and show a significant renormalization of their Fermi velocity by including many-electron effects. However, the other two recently proposed silicene structures exhibit a finite bandgap, indicating that they are gapped semiconductors instead of expected Dirac-fermion semimetals. This finite bandgap is preserved with the Ag substrate included. Moreover, our GW calculation reveals enhanced many-electron effects in these two-dimensional structures. Finally, the bandgap of the latter two structures can be tuned in a wide range by applying strain.</jats:p>

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