Nonmetallic substrates for growth of silicene: an ab initio prediction

J Phys Condens Matter. 2014 May 7;26(18):185002. doi: 10.1088/0953-8984/26/18/185002. Epub 2014 Apr 14.

Abstract

By means of first-principles calculations we predict the stability of silicene layers as buckled honeycomb lattices on Cl-passivated Si(1 1 1) and clean CaF2(1 1 1) surfaces. The van der Waals interaction between silicene and the inert substrate stabilizes the adsorbate system while not destroying the Si pz-derived linear bands forming Dirac cones at the Brillouin zone corners. Only small gaps of about 3 and 52 meV are opened.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Electrons
  • Graphite / chemistry*
  • Models, Molecular
  • Molecular Conformation
  • Quantum Theory*
  • Silicon / chemistry*
  • Surface Properties

Substances

  • Graphite
  • Silicon