Properties of Two-Dimensional Silicon grown on Graphene Substrate

TL;DR

This study uses first-principles calculations to explore the structure and electrical properties of 2D silicon on graphene, revealing a new stable structure, self-doping effects, weak substrate coupling, and high transmission efficiency.

Contribution

It introduces a novel corrugated rectangular silicon structure on graphene and analyzes its stability and electronic properties using first-principles methods.

Findings

Proposes a new stable corrugated silicon structure on graphene.

Finds the 2D silicon is metallic with high transmission efficiency.

Identifies self-doping and weak coupling with the substrate.

Abstract

The structure and electrical properties of a two-dimensional (2D) sheet of silicon on a graphene substrate are studied using first-principles calculations. A new corrugated rectangular structure of silicon is proposed to be the most energetically favorable structure. The shifting of the Fermi energy level indicates self-doping. Calculation of electron density shows a weak coupling between the silicon layer and graphene substrate. The 2D silicon sheet turns to be metallic and has a much higher value of transmission efficiency (TE) than the underlying graphene substrate.