Electronic States of Silicene Allotropes on Ag(111)

ACS Nano. 2017 Jan 24;11(1):975-982. doi: 10.1021/acsnano.6b07593. Epub 2017 Jan 11.

Abstract

Silicene, a honeycomb lattice of silicon, presents a particular case of allotropism on Ag(111). Silicene forms multiple structures with alike in-plane geometry but different out-of-plane atomic buckling and registry to the substrate. Angle-resolved photoemission and first-principles calculations show that these silicene structures, with (4×4), (√13×√13)R13.9°, and (2√3×2√3)R30° lattice periodicity, display similar electronic bands despite the structural differences. In all cases the interaction with the substrate modifies the electronic states, which significantly differ from those of free-standing silicene. Complex photoemission patterns arise from surface umklapp processes, varying according to the periodicity of the silicene allotropes.

Keywords: angle-resolved photoemission spectroscopy (ARPES); density functional theory (DFT); low-energy electron diffraction (LEED); silicene.

Publication types

  • Research Support, Non-U.S. Gov't