Structural model of silicene-like nanoribbons on a Pb-reconstructed Si(111) surface

Abstract

A structural model of the recently observed silicene-like nanoribbons on a Pb-induced v3 × v3 reconstructed Si(111) surface is proposed. The model, which is based on first principles density functional theory calculations, features a deformed honeycomb structure directly bonded to the Si(111) surface underneath. Pb atoms stabilize the nanoribbons, as they passivate the uncovered substrate, thus lower the surface energy, and suppress the nanoribbon-substrate interaction. The proposed structural model reproduces well all the experimental findings.