The electronic properties of graphene on metal modified SiO2 substrate

TL;DR

This study uses first principles calculations to explore how various metal modifications on SiO2 substrates influence the electronic properties of graphene, revealing stable adsorption and notable band structure changes.

Contribution

It provides new insights into how metal decoration on SiO2 affects graphene's electronic structure, especially with magnetic atoms inducing semi-metallic behavior.

Findings

Metal atoms adsorb more stably on O surface than Si surface.

Graphene remains stably adsorbed on metal-modified substrates.

Magnetic atoms induce a semi-metal band gap in graphene.

Abstract

Based on first principles calculation, the electronic properties of graphene on metal (Ti, Ca, Ni, Mn, Co, Fe, Cr, K) modified SiO2 substrate have been studied. The results of binding energies supported graphene indicate that the metal atoms are adsorbed more stably on O surface than on Si surface of SiO2 substrate, and graphene is adsorbed very stably on metal modified substrate. The band structures of supported graphene are similar with that of suspending graphene when deposited on Co modified SiO2 surface, but change obviously with the effect of decorated Fe atoms. Interesting, a semi-metal band structure with a 1-2 eV gap in spin-up state will occur on the magnetic atoms decorated surface.