Electronic Band Structure of Ultimately Thin Silicon Oxide on Ru(0001)

ACS Nano. 2019 Apr 23;13(4):4720-4730. doi: 10.1021/acsnano.9b01028. Epub 2019 Apr 1.

Abstract

Silicon oxide can be formed in a crystalline form, when prepared on a metallic substrate. It is a candidate support catalyst and possibly the ultimately thin version of a dielectric host material for two-dimensional materials and heterostructures. We determine the atomic structure and chemical bonding of the ultimately thin version of the oxide, epitaxially grown on Ru(0001). In particular, we establish the existence of two sublattices defined by metal-oxygen-silicon bridges involving inequivalent substrate sites. We further discover four electronic bands below the Fermi level, at high binding energy, two of them having a linear dispersion at their crossing K point (Dirac cones) and two others forming semiflat bands. While the latter two correspond to hybridized states between the oxide and the metal, the former relate to the topmost silicon-oxygen plane, which is not directly coupled to the substrate. Our analysis is based on high-resolution X-ray photoelectron spectroscopy, angle-resolved photoemission spectroscopy, scanning tunneling microscopy, and density functional theory calculations.

Keywords: density functional theory calculations; metal−oxide interface; monolayer; photoemission spectroscopy; ultrathin silicon oxide film.